smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000228906209 525233869 /nfs/dbraw/zinc/23/38/69/525233869.db2.gz JDBMWFKHEQIDAK-STQMWFEESA-N 2 0 272.314 2.646 40 0 CFABRP CCC[NH+](CCC)CC(O)C[NH+](CCC)CCC ZINC000001644089 371692461 /nfs/dbraw/zinc/69/24/61/371692461.db2.gz UIUGDQFCMTZKIC-UHFFFAOYSA-N 2 0 258.450 2.591 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000049345426 373287799 /nfs/dbraw/zinc/28/77/99/373287799.db2.gz KEWFDRYRDWZOTB-UHFFFAOYSA-N 2 0 256.752 2.650 40 0 CFABRP CC(C)N(CC[NH3+])C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393618 374607329 /nfs/dbraw/zinc/60/73/29/374607329.db2.gz YLLYGCVGZPBFDU-SFHVURJKSA-N 2 0 289.467 2.710 40 0 CFABRP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+](C)C)O3)o1 ZINC000096209517 375476788 /nfs/dbraw/zinc/47/67/88/375476788.db2.gz HAASKYGLXQDPGN-DLBZAZTESA-N 2 0 292.423 2.663 40 0 CFABRP C[C@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253380228 383453465 /nfs/dbraw/zinc/45/34/65/383453465.db2.gz JDBMWFKHEQIDAK-OLZOCXBDSA-N 2 0 272.314 2.646 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC000252514273 383416862 /nfs/dbraw/zinc/41/68/62/383416862.db2.gz BQZDRKHCINCMRB-XMTFNYHQSA-N 2 0 288.435 2.984 40 0 CFABRP CCC[N@H+](CCC1CC[NH2+]CC1)Cc1ccco1 ZINC000096523708 393837459 /nfs/dbraw/zinc/83/74/59/393837459.db2.gz FSCAJIJYZHLHEE-UHFFFAOYSA-N 2 0 250.386 2.881 40 0 CFABRP [NH3+]CCCCCCCCCCCCN1CC[NH2+]CC1 ZINC000022462596 171388291 /nfs/dbraw/zinc/38/82/91/171388291.db2.gz WVJRIURRQOEQKL-UHFFFAOYSA-N 2 0 269.477 2.751 40 0 CFABRP C/C1=[NH+]\CCNC(C)(C)C/C(C)=[NH+]\C[C@@H](C)NC(C)(C)C1 ZINC000104152765 276830930 /nfs/dbraw/zinc/83/09/30/276830930.db2.gz QRSRCCMAYYKPLO-IBUKLMTASA-N 2 0 294.487 2.827 40 0 CFABRP C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000242723274 541006290 /nfs/dbraw/zinc/00/62/90/541006290.db2.gz YLEFCBGSCOAZCG-CVEARBPZSA-N 2 0 250.430 2.888 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000015424006 372083701 /nfs/dbraw/zinc/08/37/01/372083701.db2.gz USIHDRKFGJABRJ-UHFFFAOYSA-N 2 0 292.423 2.525 40 0 CFABRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042439385 372924074 /nfs/dbraw/zinc/92/40/74/372924074.db2.gz PISFTNFEMIPLBF-CYBMUJFWSA-N 2 0 252.789 2.771 40 0 CFABRP C/C1=[NH+]/CCNC(C)(C)C/C(C)=[NH+]\C[C@@H](C)NC(C)(C)C1 ZINC000104152760 375770682 /nfs/dbraw/zinc/77/06/82/375770682.db2.gz QRSRCCMAYYKPLO-KDCWVDQVSA-N 2 0 294.487 2.827 40 0 CFABRP c1csc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000257726031 190038366 /nfs/dbraw/zinc/03/83/66/190038366.db2.gz QJADWXHOGSDDBF-UHFFFAOYSA-N 2 0 250.411 2.714 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886096 382791305 /nfs/dbraw/zinc/79/13/05/382791305.db2.gz VSMZIVJWKZRLRD-QXSJWSMHSA-N 2 0 266.429 2.726 40 0 CFABRP CC(C)C[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515800 393835717 /nfs/dbraw/zinc/83/57/17/393835717.db2.gz PLGZBNKQYBMNSQ-AAEUAGOBSA-N 2 0 262.401 2.539 40 0 CFABRP Cc1ccc2c(c1)C1(C[C@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096062791 281051037 /nfs/dbraw/zinc/05/10/37/281051037.db2.gz QEDGTUCNXHJAMA-MRXNPFEDSA-N 2 0 256.393 2.813 40 0 CFABRP CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O1 ZINC000096056658 185077846 /nfs/dbraw/zinc/07/78/46/185077846.db2.gz RDFUPHNIELPFDA-OAGGEKHMSA-N 2 0 294.464 2.678 40 0 CFABRP CC[NH+](CC)CC[C@@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000001652054 371692561 /nfs/dbraw/zinc/69/25/61/371692561.db2.gz VHGYHSCTCUPEDB-ZDUSSCGKSA-N 2 0 296.846 2.639 40 0 CFABRP C=Cc1cc[n+](CCC[n+]2ccc(C=C)cc2)cc1 ZINC000001679123 371696730 /nfs/dbraw/zinc/69/67/30/371696730.db2.gz QFLLIJRXFBTPJO-UHFFFAOYSA-N 2 0 252.361 2.638 40 0 CFABRP C[C@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004154857 371837982 /nfs/dbraw/zinc/83/79/82/371837982.db2.gz RYJLDVIZDHEQLN-VYDXJSESSA-N 2 0 260.425 2.924 40 0 CFABRP CC(C)[N@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1 ZINC000079414328 374609321 /nfs/dbraw/zinc/60/93/21/374609321.db2.gz QDUYTCUWRAORCE-UHFFFAOYSA-N 2 0 290.451 2.790 40 0 CFABRP COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccs1)CC2 ZINC000096219281 375479733 /nfs/dbraw/zinc/47/97/33/375479733.db2.gz DYPWJVRILXRKKN-CQSZACIVSA-N 2 0 294.464 2.681 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2Br)CC1 ZINC000100809543 375628154 /nfs/dbraw/zinc/62/81/54/375628154.db2.gz NMGGEAINMBXQIL-TXEJJXNPSA-N 2 0 283.213 2.809 40 0 CFABRP C/C1=[NH+]\C[C@@H](C)NC(C)(C)C/C(C)=[NH+]\CCNC(C)(C)C1 ZINC000104152762 375770487 /nfs/dbraw/zinc/77/04/87/375770487.db2.gz QRSRCCMAYYKPLO-IPARKIBGSA-N 2 0 294.487 2.827 40 0 CFABRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886250 382791269 /nfs/dbraw/zinc/79/12/69/382791269.db2.gz VSMZIVJWKZRLRD-FPCVCCKLSA-N 2 0 266.429 2.726 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000019843465 170891848 /nfs/dbraw/zinc/89/18/48/170891848.db2.gz HBOXVFZKJFFCKZ-UHFFFAOYSA-N 2 0 256.752 2.650 40 0 CFABRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218981 175404901 /nfs/dbraw/zinc/40/49/01/175404901.db2.gz LCWKQYRWIJCTTH-AWEZNQCLSA-N 2 0 286.460 2.818 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OC1CCCC1 ZINC000242688558 541006212 /nfs/dbraw/zinc/00/62/12/541006212.db2.gz VSMZIVJWKZRLRD-FXUDXRNXSA-N 2 0 266.429 2.726 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1OC1CCCC1 ZINC000242688559 541006318 /nfs/dbraw/zinc/00/63/18/541006318.db2.gz VSMZIVJWKZRLRD-QKPAOTATSA-N 2 0 266.429 2.726 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000015424015 372083762 /nfs/dbraw/zinc/08/37/62/372083762.db2.gz BDJDNRPTSKQEHZ-UHFFFAOYSA-N 2 0 250.361 2.647 40 0 CFABRP Cc1ccsc1C[N@H+]1CCOC[C@@H](CC[NH+](C)C)[C@@H]1C ZINC000248091038 189944362 /nfs/dbraw/zinc/94/43/62/189944362.db2.gz FOPDKMHBXDGJNC-LSDHHAIUSA-N 2 0 296.480 2.845 40 0 CFABRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414682 374610003 /nfs/dbraw/zinc/61/00/03/374610003.db2.gz ZHEPEYQXBQEILI-GOSISDBHSA-N 2 0 289.467 2.568 40 0 CFABRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248070880 383210586 /nfs/dbraw/zinc/21/05/86/383210586.db2.gz ATWHPKCVHSVPNU-MRVWCRGKSA-N 2 0 250.411 2.568 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@H]2[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000096088798 393815845 /nfs/dbraw/zinc/81/58/45/393815845.db2.gz UBCSAQVDKCTNGY-MRXNPFEDSA-N 2 0 274.383 2.891 40 0 CFABRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CC21CC[NH2+]CC1 ZINC000096157373 260563626 /nfs/dbraw/zinc/56/36/26/260563626.db2.gz AHMRAUXCXKBHGC-INIZCTEOSA-N 2 0 256.393 2.813 40 0 CFABRP Cc1ccccc1OC[C@@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484325 230381013 /nfs/dbraw/zinc/38/10/13/230381013.db2.gz VUWRZGJYAXLRIP-IXDOHACOSA-N 2 0 288.435 2.979 40 0 CFABRP COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C)CC2 ZINC000585104351 348734741 /nfs/dbraw/zinc/73/47/41/348734741.db2.gz ZIGNWHRODIZSNQ-CQSZACIVSA-N 2 0 294.464 2.538 40 0 CFABRP O=C1[C@@H](C[NH+]2CCCCC2)CC[C@H]1C[NH+]1CCCCC1 ZINC000001640640 371689550 /nfs/dbraw/zinc/68/95/50/371689550.db2.gz HTDFQOXZDHSVAH-IYBDPMFKSA-N 2 0 278.440 2.554 40 0 CFABRP NC(=[NH2+])SCCCCCCCCSC(N)=[NH2+] ZINC000013742488 372046317 /nfs/dbraw/zinc/04/63/17/372046317.db2.gz BPVQUZSXLLFLFJ-UHFFFAOYSA-N 2 0 262.448 2.580 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015424016 372084014 /nfs/dbraw/zinc/08/40/14/372084014.db2.gz KYDONRWWWGJGRM-UHFFFAOYSA-N 2 0 250.361 2.647 40 0 CFABRP Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096207807 375478215 /nfs/dbraw/zinc/47/82/15/375478215.db2.gz SQLAHFQXXBVOFU-QZTJIDSGSA-N 2 0 288.435 2.680 40 0 CFABRP CCCCc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000225321708 382814130 /nfs/dbraw/zinc/81/41/30/382814130.db2.gz CPWSARVTFYRCGD-UHFFFAOYSA-N 2 0 269.392 2.987 40 0 CFABRP CNc1cc([C@@H]2CCCN(c3ccnc(C)n3)C2)ccn1 ZINC000257301148 383494777 /nfs/dbraw/zinc/49/47/77/383494777.db2.gz RXEAHJQKDKTBNT-CQSZACIVSA-N 2 0 283.379 2.606 40 0 CFABRP CCCC[N@@H+](Cc1ccco1)CC1CC[NH2+]CC1 ZINC000096523714 393837394 /nfs/dbraw/zinc/83/73/94/393837394.db2.gz LYUSSZOGZLIJIN-UHFFFAOYSA-N 2 0 250.386 2.881 40 0 CFABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047921 393814198 /nfs/dbraw/zinc/81/41/98/393814198.db2.gz RCZATEDKRQORCC-INIZCTEOSA-N 2 0 292.398 2.511 40 0 CFABRP Cc1ccc2c(c1)C1(C[C@@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096062790 301877925 /nfs/dbraw/zinc/87/79/25/301877925.db2.gz QEDGTUCNXHJAMA-INIZCTEOSA-N 2 0 256.393 2.813 40 0 CFABRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000104950177 186035602 /nfs/dbraw/zinc/03/56/02/186035602.db2.gz ATWHPKCVHSVPNU-FPMFFAJLSA-N 2 0 250.411 2.568 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1OC1CCCC1 ZINC000242688560 541006237 /nfs/dbraw/zinc/00/62/37/541006237.db2.gz VSMZIVJWKZRLRD-UGUYLWEFSA-N 2 0 266.429 2.726 40 0 CFABRP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000004745744 371874111 /nfs/dbraw/zinc/87/41/11/371874111.db2.gz SISFUPYKHBPBII-OWCLPIDISA-N 2 0 260.425 2.759 40 0 CFABRP C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000036810112 372597886 /nfs/dbraw/zinc/59/78/86/372597886.db2.gz YLEFCBGSCOAZCG-HOTGVXAUSA-N 2 0 250.430 2.888 40 0 CFABRP Cc1cc(C)c2c(c1)[nH+]c(C)cc2N1CC[NH2+]CC1 ZINC000068136509 374022102 /nfs/dbraw/zinc/02/21/02/374022102.db2.gz SUFCTQIEILGURP-UHFFFAOYSA-N 2 0 255.365 2.570 40 0 CFABRP CC(C)C[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242614897 382986640 /nfs/dbraw/zinc/98/66/40/382986640.db2.gz PLGZBNKQYBMNSQ-DGCLKSJQSA-N 2 0 262.401 2.539 40 0 CFABRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248070879 383211032 /nfs/dbraw/zinc/21/10/32/383211032.db2.gz ATWHPKCVHSVPNU-KWCYVHTRSA-N 2 0 250.411 2.568 40 0 CFABRP CC(C)[N@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393627 393718297 /nfs/dbraw/zinc/71/82/97/393718297.db2.gz FWMWAVWVMFUMQI-UHFFFAOYSA-N 2 0 289.467 2.568 40 0 CFABRP CC[NH+](CC)CCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000005179682 170073989 /nfs/dbraw/zinc/07/39/89/170073989.db2.gz LAXVOERDPHPAAJ-INIZCTEOSA-N 3 0 271.493 2.818 40 0 CFABRP CCOc1ccc2[nH+]c(C)cc(NCCC[NH2+]C)c2c1 ZINC000222690714 528623998 /nfs/dbraw/zinc/62/39/98/528623998.db2.gz HOCXZYLNPFXGLE-UHFFFAOYSA-N 2 0 273.380 2.963 40 0 CFABRP c1csc(C[NH+]2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096054129 185076738 /nfs/dbraw/zinc/07/67/38/185076738.db2.gz SBCFRLSWKHQHHQ-CABCVRRESA-N 2 0 276.449 2.912 40 0 CFABRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000257723493 190038279 /nfs/dbraw/zinc/03/82/79/190038279.db2.gz QAFURWMIVCVAMO-UHFFFAOYSA-N 2 0 258.409 2.961 40 0 CFABRP C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000004745742 393458952 /nfs/dbraw/zinc/45/89/52/393458952.db2.gz SISFUPYKHBPBII-PMPSAXMXSA-N 2 0 260.425 2.759 40 0 CFABRP COc1ccc2c(c1)C1(C[C@@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096157366 393815892 /nfs/dbraw/zinc/81/58/92/393815892.db2.gz AXXKPIUVXXQZET-INIZCTEOSA-N 2 0 272.392 2.513 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096062789 393816268 /nfs/dbraw/zinc/81/62/68/393816268.db2.gz SHJDKPVZVXZXFI-OAHLLOKOSA-N 2 0 260.356 2.644 40 0 CFABRP NC(=[NH2+])SCCCCCCCCCSC(N)=[NH2+] ZINC000005828516 170144415 /nfs/dbraw/zinc/14/44/15/170144415.db2.gz PNEWJEWVZPZVNA-UHFFFAOYSA-N 2 0 276.475 2.970 40 0 CFABRP COc1ccc([C@@]2(CC[NH3+])C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004340231 295233032 /nfs/dbraw/zinc/23/30/32/295233032.db2.gz QCPLMTXDUPTFBC-CPUCHLNUSA-N 2 0 276.424 2.642 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096062788 282994731 /nfs/dbraw/zinc/99/47/31/282994731.db2.gz SHJDKPVZVXZXFI-HNNXBMFYSA-N 2 0 260.356 2.644 40 0 CFABRP [NH3+]CCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000015423974 372083290 /nfs/dbraw/zinc/08/32/90/372083290.db2.gz DPHIAGYHJIWQDO-UHFFFAOYSA-N 2 0 252.789 2.901 40 0 CFABRP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000051919060 373417178 /nfs/dbraw/zinc/41/71/78/373417178.db2.gz MCSZLRUACZVXNF-HRCADAONSA-N 2 0 250.430 2.888 40 0 CFABRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000095147656 375415515 /nfs/dbraw/zinc/41/55/15/375415515.db2.gz GWAOLQNHZPJBDF-RYUDHWBXSA-N 2 0 252.789 2.990 40 0 CFABRP CC(C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CC[NH2+]CC2)C1 ZINC000096261707 375483347 /nfs/dbraw/zinc/48/33/47/375483347.db2.gz OCHCMHCFWIZMOA-NSHDSACASA-N 2 0 264.335 2.649 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000100809360 375628442 /nfs/dbraw/zinc/62/84/42/375628442.db2.gz OXSINOLRCOXTMI-BETUJISGSA-N 2 0 283.213 2.809 40 0 CFABRP C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000250842097 383381646 /nfs/dbraw/zinc/38/16/46/383381646.db2.gz MCSZLRUACZVXNF-XHSDSOJGSA-N 2 0 250.430 2.888 40 0 CFABRP C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000110763955 393882351 /nfs/dbraw/zinc/88/23/51/393882351.db2.gz YLEFCBGSCOAZCG-HZPDHXFCSA-N 2 0 250.430 2.888 40 0 CFABRP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)o1 ZINC000096054132 185076287 /nfs/dbraw/zinc/07/62/87/185076287.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 2 0 274.408 2.752 40 0 CFABRP Cc1ccc(C[N@H+]2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)cc1 ZINC000306123409 540166118 /nfs/dbraw/zinc/16/61/18/540166118.db2.gz AMEUQEHCNJMTLO-FUHWJXTLSA-N 2 0 290.451 2.784 40 0 CFABRP [NH3+]CCCC[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001872027 371709890 /nfs/dbraw/zinc/70/98/90/371709890.db2.gz XGCILVMFEGTLPL-QZTJIDSGSA-N 2 0 284.403 2.790 40 0 CFABRP C[NH2+]C[C@H](C(=O)[C@H](C[NH2+]C)c1ccccc1)c1ccccc1 ZINC000001593568 371684601 /nfs/dbraw/zinc/68/46/01/371684601.db2.gz SEYWSHXFMLIHOP-HDICACEKSA-N 2 0 296.414 2.562 40 0 CFABRP COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccs1)CC2 ZINC000096219283 375479549 /nfs/dbraw/zinc/47/95/49/375479549.db2.gz DYPWJVRILXRKKN-AWEZNQCLSA-N 2 0 294.464 2.681 40 0 CFABRP CC(C)C[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242614899 382986689 /nfs/dbraw/zinc/98/66/89/382986689.db2.gz PLGZBNKQYBMNSQ-YPMHNXCESA-N 2 0 262.401 2.539 40 0 CFABRP O=C1[C@@H](C[NH+]2CCCCC2)CC[C@@H]1C[NH+]1CCCCC1 ZINC000001640642 296413303 /nfs/dbraw/zinc/41/33/03/296413303.db2.gz HTDFQOXZDHSVAH-HZPDHXFCSA-N 2 0 278.440 2.554 40 0 CFABRP C[C@@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484329 533648928 /nfs/dbraw/zinc/64/89/28/533648928.db2.gz YBZJXKRRDPZJQF-JJXSEGSLSA-N 2 0 266.429 2.551 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000044471110 175177576 /nfs/dbraw/zinc/17/75/76/175177576.db2.gz YKDMHEORLQFPBH-UHFFFAOYSA-N 2 0 289.242 2.681 40 0 CFABRP C/C1=[NH+]\CCNC(C)(C)C/C(C)=[NH+]/C[C@@H](C)NC(C)(C)C1 ZINC000032072264 276830768 /nfs/dbraw/zinc/83/07/68/276830768.db2.gz QRSRCCMAYYKPLO-GWSAQIJISA-N 2 0 294.487 2.827 40 0 CFABRP Cc1ccccc1OC[C@@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484323 230381126 /nfs/dbraw/zinc/38/11/26/230381126.db2.gz VUWRZGJYAXLRIP-BRWVUGGUSA-N 2 0 288.435 2.979 40 0 CFABRP Cc1cccc[n+]1CCCCC[n+]1ccccc1C ZINC000001667617 371694066 /nfs/dbraw/zinc/69/40/66/371694066.db2.gz PGEFVOGQOFARPH-UHFFFAOYSA-N 2 0 256.393 2.749 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)CC1 ZINC000255189628 189996429 /nfs/dbraw/zinc/99/64/29/189996429.db2.gz RECRJJVTJWNRLB-JOCQHMNTSA-N 2 0 283.213 2.809 40 0 CFABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178199 375614144 /nfs/dbraw/zinc/61/41/44/375614144.db2.gz QDUYTCUWRAORCE-HDICACEKSA-N 2 0 290.451 2.790 40 0 CFABRP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885913 382791264 /nfs/dbraw/zinc/79/12/64/382791264.db2.gz BQZDRKHCINCMRB-TVFCKZIOSA-N 2 0 288.435 2.984 40 0 CFABRP COc1ccc(C)c2c(NCCC[NH3+])cc(C)[nH+]c12 ZINC000222691648 382803389 /nfs/dbraw/zinc/80/33/89/382803389.db2.gz NZIBIHLQGUNXTA-UHFFFAOYSA-N 2 0 259.353 2.621 40 0 CFABRP COc1ccc([C@@]2(CC[NH3+])C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004340232 169958926 /nfs/dbraw/zinc/95/89/26/169958926.db2.gz QCPLMTXDUPTFBC-KEYYUXOJSA-N 2 0 276.424 2.642 40 0 CFABRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000235870103 348230037 /nfs/dbraw/zinc/23/00/37/348230037.db2.gz JWVGAMGXFNOUSQ-UHFFFAOYSA-N 2 0 252.789 2.819 40 0 CFABRP COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](C)CC2 ZINC000585104341 348734758 /nfs/dbraw/zinc/73/47/58/348734758.db2.gz ZIGNWHRODIZSNQ-AWEZNQCLSA-N 2 0 294.464 2.538 40 0 CFABRP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000197192653 539908820 /nfs/dbraw/zinc/90/88/20/539908820.db2.gz SISFUPYKHBPBII-ARFHVFGLSA-N 2 0 260.425 2.759 40 0 CFABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@]1(CC[NH3+])Cc1ccccc1 ZINC000002908725 371764575 /nfs/dbraw/zinc/76/45/75/371764575.db2.gz RYJLDVIZDHEQLN-YQQAZPJKSA-N 2 0 260.425 2.924 40 0 CFABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@]1(CC[NH3+])Cc1ccccc1 ZINC000013510384 372030423 /nfs/dbraw/zinc/03/04/23/372030423.db2.gz RYJLDVIZDHEQLN-ZOBUZTSGSA-N 2 0 260.425 2.924 40 0 CFABRP COc1ccccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000096268538 375483667 /nfs/dbraw/zinc/48/36/67/375483667.db2.gz UERFBWFXJXPGNJ-UHFFFAOYSA-N 2 0 274.408 2.613 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)CC1 ZINC000100809535 375628136 /nfs/dbraw/zinc/62/81/36/375628136.db2.gz RECRJJVTJWNRLB-BETUJISGSA-N 2 0 283.213 2.809 40 0 CFABRP S=C(NCCC[NH+]1CCCCCC1)Nc1ccncc1 ZINC000225401862 382815513 /nfs/dbraw/zinc/81/55/13/382815513.db2.gz LTFKSRNLQVRJLN-UHFFFAOYSA-N 2 0 292.452 2.634 40 0 CFABRP CSc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527970 175192441 /nfs/dbraw/zinc/19/24/41/175192441.db2.gz SEKQTLJLHXPTOO-CYBMUJFWSA-N 2 0 250.411 2.579 40 0 CFABRP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 ZINC000096081865 282119253 /nfs/dbraw/zinc/11/92/53/282119253.db2.gz IBZLRHHUCPVRGU-ARFHVFGLSA-N 2 0 250.430 2.696 40 0 CFABRP CCCC[NH+](CCCC)C[C@H](O)C[NH+](CC)CC ZINC000001668541 371693265 /nfs/dbraw/zinc/69/32/65/371693265.db2.gz MOXDFIJXNYLJIX-OAHLLOKOSA-N 2 0 258.450 2.591 40 0 CFABRP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013424571 372026658 /nfs/dbraw/zinc/02/66/58/372026658.db2.gz GDGJJJMFINQFHI-ZENOOKHLSA-N 2 0 262.397 2.514 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000015424018 372083977 /nfs/dbraw/zinc/08/39/77/372083977.db2.gz VSLCORJPZMDQQL-UHFFFAOYSA-N 2 0 262.397 2.517 40 0 CFABRP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015423972 372084055 /nfs/dbraw/zinc/08/40/55/372084055.db2.gz YXHSBFGGUNLSEE-UHFFFAOYSA-N 2 0 252.789 2.901 40 0 CFABRP Cc1[nH+]cc2cc(C)nc([C@@H]3CCC[N@@H+](C(C)C)C3)n21 ZINC000257248506 190020127 /nfs/dbraw/zinc/02/01/27/190020127.db2.gz JDYFNCCPPVYCIQ-CQSZACIVSA-N 2 0 272.396 2.934 40 0 CFABRP COc1cccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000306132831 382452786 /nfs/dbraw/zinc/45/27/86/382452786.db2.gz LTJVTBLLMNHLAC-UHFFFAOYSA-N 2 0 274.408 2.661 40 0 CFABRP C(C[NH+]1CCCCC1)SCC[NH+]1CCCCC1 ZINC000005375627 170090344 /nfs/dbraw/zinc/09/03/44/170090344.db2.gz JKHVMHRZELZAMB-UHFFFAOYSA-N 2 0 256.459 2.691 40 0 CFABRP C[NH2+]CCCNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000222690191 277268640 /nfs/dbraw/zinc/26/86/40/277268640.db2.gz DCBIJZYFNAWJLO-UHFFFAOYSA-N 2 0 259.353 2.573 40 0 CFABRP CCOc1ccc2[nH+]ccc(NCCC[NH2+]C)c2c1 ZINC000222681658 327935315 /nfs/dbraw/zinc/93/53/15/327935315.db2.gz JAERGAFDWMOXOT-UHFFFAOYSA-N 2 0 259.353 2.655 40 0 CFABRP [NH3+]CC[C@H](C[NH3+])C1c2ccccc2-c2ccccc21 ZINC000085388782 374801454 /nfs/dbraw/zinc/80/14/54/374801454.db2.gz UWKYPCPZUUUABO-GFCCVEGCSA-N 2 0 252.361 2.723 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885770 382791258 /nfs/dbraw/zinc/79/12/58/382791258.db2.gz BQZDRKHCINCMRB-XDNAFOTISA-N 2 0 288.435 2.984 40 0 CFABRP Cc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@@H+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834669 /nfs/dbraw/zinc/83/46/69/256834669.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 2 0 292.423 2.518 40 0 CFABRP CCc1ccc2[nH+]c(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000040175092 393540853 /nfs/dbraw/zinc/54/08/53/393540853.db2.gz GMHYYCAQTDIWNZ-UHFFFAOYSA-N 2 0 255.365 2.515 40 0 CFABRP CCCC[N@@H+](Cc1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000096523664 393837039 /nfs/dbraw/zinc/83/70/39/393837039.db2.gz YQIHGJLEFPWEPX-CQSZACIVSA-N 2 0 250.386 2.881 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2c(Cl)ccc(C)c2[nH+]1 ZINC000068136528 274708371 /nfs/dbraw/zinc/70/83/71/274708371.db2.gz HRVZKIGHTWZWBO-UHFFFAOYSA-N 2 0 275.783 2.915 40 0 CFABRP FC(F)(F)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000061626457 373722865 /nfs/dbraw/zinc/72/28/65/373722865.db2.gz BWDHGEKSEJTXOW-UHFFFAOYSA-N 2 0 258.287 2.547 40 0 CFABRP Cc1cccc(C[NH+]2CCC3(CC([NH+](C)C)C3)CC2)n1 ZINC000096159204 375471596 /nfs/dbraw/zinc/47/15/96/375471596.db2.gz GPAVEJJFUROXRX-UHFFFAOYSA-N 2 0 273.424 2.696 40 0 CFABRP CC[NH2+][C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000257229968 190016471 /nfs/dbraw/zinc/01/64/71/190016471.db2.gz GAEIDGGCVQFNMT-QGZVFWFLSA-N 2 0 288.435 2.810 40 0 CFABRP CC(C)N(CC[NH3+])C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393621 393718486 /nfs/dbraw/zinc/71/84/86/393718486.db2.gz YQMGLCVNSXRXAX-GOSISDBHSA-N 2 0 289.467 2.568 40 0 CFABRP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000005730020 170134401 /nfs/dbraw/zinc/13/44/01/170134401.db2.gz GDGJJJMFINQFHI-XEZPLFJOSA-N 2 0 262.397 2.514 40 0 CFABRP C[NH2+]C[C@H](C(=O)[C@@H](C[NH2+]C)c1ccccc1)c1ccccc1 ZINC000001593567 371684645 /nfs/dbraw/zinc/68/46/45/371684645.db2.gz SEYWSHXFMLIHOP-ROUUACIJSA-N 2 0 296.414 2.562 40 0 CFABRP CC(C)[N@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393535 374608305 /nfs/dbraw/zinc/60/83/05/374608305.db2.gz QCVYIUAHERQJHK-UHFFFAOYSA-N 2 0 290.451 2.601 40 0 CFABRP Cc1ccc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)s1 ZINC000096205900 375478021 /nfs/dbraw/zinc/47/80/21/375478021.db2.gz YOUVNXKOAZVNLC-GDBMZVCRSA-N 2 0 294.464 2.742 40 0 CFABRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885975 382791284 /nfs/dbraw/zinc/79/12/84/382791284.db2.gz BQZDRKHCINCMRB-MLHJIOFPSA-N 2 0 288.435 2.984 40 0 CFABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000248008417 383205985 /nfs/dbraw/zinc/20/59/85/383205985.db2.gz QDUYTCUWRAORCE-IYARVYRRSA-N 2 0 290.451 2.790 40 0 CFABRP COCC[N@@H+]1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC000096075215 285014183 /nfs/dbraw/zinc/01/41/83/285014183.db2.gz GCBKAXUYSBXFRD-UHFFFAOYSA-N 2 0 294.361 2.516 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1 ZINC000252514272 383417135 /nfs/dbraw/zinc/41/71/35/383417135.db2.gz BQZDRKHCINCMRB-VSZNYVQBSA-N 2 0 288.435 2.984 40 0 CFABRP C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C1CCC1)CC2 ZINC000096207046 256824288 /nfs/dbraw/zinc/82/42/88/256824288.db2.gz VEPGBSFYODDTDM-QGZVFWFLSA-N 2 0 292.467 2.752 40 0 CFABRP c1ccc2c(c1)[C@@H]([NH+]1CCCC1)CC21CC[NH2+]CC1 ZINC000096157363 393815964 /nfs/dbraw/zinc/81/59/64/393815964.db2.gz XUDVSYWSWLVUGK-INIZCTEOSA-N 2 0 256.393 2.848 40 0 CFABRP C[NH+](CC(O)C[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000001669906 282379739 /nfs/dbraw/zinc/37/97/39/282379739.db2.gz KGWZBRWXCDVICQ-UHFFFAOYSA-N 2 0 282.472 2.876 40 0 CFABRP CC(C)[C@@H]1[C@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409432580 348601530 /nfs/dbraw/zinc/60/15/30/348601530.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 2 0 258.409 2.705 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2ccc(Cl)c(C)c2[nH+]1 ZINC000068136533 393634208 /nfs/dbraw/zinc/63/42/08/393634208.db2.gz LCNFGILYBFNDDI-UHFFFAOYSA-N 2 0 275.783 2.915 40 0 CFABRP CC(C)c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000040175312 275751544 /nfs/dbraw/zinc/75/15/44/275751544.db2.gz RWSUBIVQWRYUBO-UHFFFAOYSA-N 2 0 255.365 2.768 40 0 CFABRP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000257333101 190035419 /nfs/dbraw/zinc/03/54/19/190035419.db2.gz YADWCNINSPBORK-HNNXBMFYSA-N 2 0 282.391 2.816 40 0 CFABRP CCOc1ccc2[nH+]c(C)cc(NCCC[NH3+])c2c1 ZINC000222690628 382803375 /nfs/dbraw/zinc/80/33/75/382803375.db2.gz BQPNIXXUNAPHLT-UHFFFAOYSA-N 2 0 259.353 2.703 40 0 CFABRP c1ccc(CC[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC000082170009 177925881 /nfs/dbraw/zinc/92/58/81/177925881.db2.gz QESSFSVBQFTEDV-UHFFFAOYSA-N 2 0 272.436 2.941 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000255189287 283641496 /nfs/dbraw/zinc/64/14/96/283641496.db2.gz OXSINOLRCOXTMI-JOCQHMNTSA-N 2 0 283.213 2.809 40 0 CFABRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000095147654 375415340 /nfs/dbraw/zinc/41/53/40/375415340.db2.gz GWAOLQNHZPJBDF-NWDGAFQWSA-N 2 0 252.789 2.990 40 0 CFABRP c1cncc(C[NH+]2CCC3(CC([NH+]4CCCC4)C3)CC2)c1 ZINC000096159215 375472417 /nfs/dbraw/zinc/47/24/17/375472417.db2.gz QEZIPVOXMIZWTI-UHFFFAOYSA-N 2 0 285.435 2.922 40 0 CFABRP CC[N@H+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096220794 375479651 /nfs/dbraw/zinc/47/96/51/375479651.db2.gz XQEJGNDOMJOXEI-HNNXBMFYSA-N 2 0 292.423 2.663 40 0 CFABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccc2Br)CC1 ZINC000255189068 383478096 /nfs/dbraw/zinc/47/80/96/383478096.db2.gz NMGGEAINMBXQIL-HAQNSBGRSA-N 2 0 283.213 2.809 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000068136531 393634531 /nfs/dbraw/zinc/63/45/31/393634531.db2.gz XYAAYERZZZMLIK-UHFFFAOYSA-N 2 0 275.783 2.915 40 0 CFABRP COc1ccc([C@@]2(CC[NH3+])C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013118892 286366063 /nfs/dbraw/zinc/36/60/63/286366063.db2.gz QCPLMTXDUPTFBC-VBQJREDUSA-N 2 0 276.424 2.642 40 0 CFABRP COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](CC1CC1)CC2 ZINC000096051772 293189807 /nfs/dbraw/zinc/18/98/07/293189807.db2.gz SHCPCONEUXCTEW-MRXNPFEDSA-N 2 0 280.456 2.608 40 0 CFABRP C[C@H](CC[C@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484332 230381109 /nfs/dbraw/zinc/38/11/09/230381109.db2.gz YBZJXKRRDPZJQF-KLHDSHLOSA-N 2 0 266.429 2.551 40 0 CFABRP Cc1cc(NCC[NH3+])c2cc(Br)ccc2[nH+]1 ZINC000222687609 230398397 /nfs/dbraw/zinc/39/83/97/230398397.db2.gz YJARVUKNDKIHRM-UHFFFAOYSA-N 2 0 280.169 2.676 40 0 CFABRP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096081869 185090612 /nfs/dbraw/zinc/09/06/12/185090612.db2.gz NVWVHCHLFBGUIC-BFHYXJOUSA-N 2 0 279.453 2.553 40 0 CFABRP Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cn1 ZINC000585181340 348737992 /nfs/dbraw/zinc/73/79/92/348737992.db2.gz OQYONURKQVOSQI-MRXNPFEDSA-N 2 0 284.407 2.578 40 0 CFABRP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000205707015 540880878 /nfs/dbraw/zinc/88/08/78/540880878.db2.gz ZZGRZONQNWBIQH-ZDUSSCGKSA-N 2 0 261.394 2.780 40 0 CFABRP CCC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000096523711 393836900 /nfs/dbraw/zinc/83/69/00/393836900.db2.gz CXVFKKXEXPZSIZ-CQSZACIVSA-N 2 0 250.386 2.881 40 0 CFABRP C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000110763994 393882909 /nfs/dbraw/zinc/88/29/09/393882909.db2.gz MCSZLRUACZVXNF-ARFHVFGLSA-N 2 0 250.430 2.888 40 0 CFABRP Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+](C)C)CO3)CC2)s1 ZINC000096047918 185073056 /nfs/dbraw/zinc/07/30/56/185073056.db2.gz BPVLBPZMRIFCNK-AWEZNQCLSA-N 2 0 294.464 2.742 40 0 CFABRP CC1(C)[C@@H]2CC[C@@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCCCC1)C2 ZINC000072210471 346924043 /nfs/dbraw/zinc/92/40/43/346924043.db2.gz BCNUOSDFXNECOT-CYGHRXIMSA-N 2 0 294.483 2.625 40 0 CFABRP CC1(C)[C@H]2CC[C@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCCCC1)C2 ZINC000072210470 346924191 /nfs/dbraw/zinc/92/41/91/346924191.db2.gz BCNUOSDFXNECOT-UOVPBQLFSA-N 2 0 294.483 2.625 40 0 CFABRP Cc1ccc[n+](CCCCC[n+]2cccc(C)c2)c1 ZINC000001667616 371693951 /nfs/dbraw/zinc/69/39/51/371693951.db2.gz JRVADXRULJLUNE-UHFFFAOYSA-N 2 0 256.393 2.749 40 0 CFABRP Cc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000257692572 190038409 /nfs/dbraw/zinc/03/84/09/190038409.db2.gz JMFDIELPULBMEH-UHFFFAOYSA-N 2 0 258.409 2.961 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2ccc(C)c(C)c2[nH+]1 ZINC000040175098 372779817 /nfs/dbraw/zinc/77/98/17/372779817.db2.gz CAYADTGZJJJLDX-UHFFFAOYSA-N 2 0 255.365 2.570 40 0 CFABRP CCn1cc(C[N@@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)cn1 ZINC000257242834 190018740 /nfs/dbraw/zinc/01/87/40/190018740.db2.gz IEJIMPMXDSFJCZ-OAHLLOKOSA-N 2 0 299.422 2.638 40 0 CFABRP C[C@H]1[C@H](CC[NH+](C)C)COCC[N@@H+]1Cc1cccc(F)c1 ZINC000306127629 382452981 /nfs/dbraw/zinc/45/29/81/382452981.db2.gz GDXHGUYIBGIDSI-GOEBONIOSA-N 2 0 294.414 2.614 40 0 CFABRP Cc1ccccc1C[N@H+]1CCOC[C@@H](CC[NH+](C)C)[C@@H]1C ZINC000248148961 383214730 /nfs/dbraw/zinc/21/47/30/383214730.db2.gz WTGKJIXYQKRXLG-FUHWJXTLSA-N 2 0 290.451 2.784 40 0 CFABRP C[C@@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253380227 383453118 /nfs/dbraw/zinc/45/31/18/383453118.db2.gz JDBMWFKHEQIDAK-CHWSQXEVSA-N 2 0 272.314 2.646 40 0 CFABRP CSc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527971 175192670 /nfs/dbraw/zinc/19/26/70/175192670.db2.gz SEKQTLJLHXPTOO-ZDUSSCGKSA-N 2 0 250.411 2.579 40 0 CFABRP c1ccc2c(c1)[C@H]([NH+]1CCCC1)CC21CC[NH2+]CC1 ZINC000096157362 260563765 /nfs/dbraw/zinc/56/37/65/260563765.db2.gz XUDVSYWSWLVUGK-MRXNPFEDSA-N 2 0 256.393 2.848 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000019843444 372197720 /nfs/dbraw/zinc/19/77/20/372197720.db2.gz UIBRVPVAWYRACN-UHFFFAOYSA-N 2 0 283.213 2.620 40 0 CFABRP CC1(C)[C@@H]([NH3+])C[C@H]1Cc1cc(C[NH+]2CCCCC2)on1 ZINC000067890122 374012926 /nfs/dbraw/zinc/01/29/26/374012926.db2.gz KGJFBMATTNWBKR-DOMZBBRYSA-N 2 0 277.412 2.576 40 0 biogenic,in-vitro CFABRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414676 374609698 /nfs/dbraw/zinc/60/96/98/374609698.db2.gz YAFMEVMHYYTZFE-GOSISDBHSA-N 2 0 289.467 2.710 40 0 CFABRP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096205809 375478138 /nfs/dbraw/zinc/47/81/38/375478138.db2.gz UPTTTXSREJYWAB-IAGOWNOFSA-N 2 0 292.398 2.511 40 0 CFABRP C[NH2+]CCCNc1cc(C)[nH+]c2c(OC)ccc(OC)c12 ZINC000222691490 382803354 /nfs/dbraw/zinc/80/33/54/382803354.db2.gz FAAUPFJXWWUKBU-UHFFFAOYSA-N 2 0 289.379 2.582 40 0 CFABRP CC[NH+](CC)CCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000006382019 170196818 /nfs/dbraw/zinc/19/68/18/170196818.db2.gz LAXVOERDPHPAAJ-MRXNPFEDSA-N 3 0 271.493 2.818 40 0 CFABRP C[C@@]1(C(F)(F)F)C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000228906228 525821301 /nfs/dbraw/zinc/82/13/01/525821301.db2.gz JDBMWFKHEQIDAK-QWHCGFSZSA-N 2 0 272.314 2.646 40 0 CFABRP CC(C)[C@@H]1[C@@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409432579 348601453 /nfs/dbraw/zinc/60/14/53/348601453.db2.gz WAWUURVMWPXQKR-GVDBMIGSSA-N 2 0 258.409 2.705 40 0 CFABRP C[NH2+]C[C@@H](C(=O)[C@H](C[NH2+]C)c1ccccc1)c1ccccc1 ZINC000001593570 371684420 /nfs/dbraw/zinc/68/44/20/371684420.db2.gz SEYWSHXFMLIHOP-QZTJIDSGSA-N 2 0 296.414 2.562 40 0 CFABRP CC(C)[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000079414323 374610541 /nfs/dbraw/zinc/61/05/41/374610541.db2.gz BIEXIOMJLMYTGL-UHFFFAOYSA-N 2 0 290.451 2.601 40 0 CFABRP CC[N@H+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096220793 375479946 /nfs/dbraw/zinc/47/99/46/375479946.db2.gz XQEJGNDOMJOXEI-OAHLLOKOSA-N 2 0 292.423 2.663 40 0 CFABRP CCn1cc(C[N@@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)cn1 ZINC000257242833 190018933 /nfs/dbraw/zinc/01/89/33/190018933.db2.gz IEJIMPMXDSFJCZ-HNNXBMFYSA-N 2 0 299.422 2.638 40 0 CFABRP CN1C[C@H]([NH3+])[C@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000217662819 382787296 /nfs/dbraw/zinc/78/72/96/382787296.db2.gz JIEQVHZTOMPODJ-ROUUACIJSA-N 2 0 282.387 2.622 40 0 CFABRP CCC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000096523710 393837082 /nfs/dbraw/zinc/83/70/82/393837082.db2.gz CXVFKKXEXPZSIZ-AWEZNQCLSA-N 2 0 250.386 2.881 40 0 CFABRP Cc1cc(C)c2[nH+]c(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000040175100 134426609 /nfs/dbraw/zinc/42/66/09/134426609.db2.gz HTNLSRYLTJAEBW-UHFFFAOYSA-N 2 0 255.365 2.570 40 0 CFABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC(=O)OC(C)(C)C ZINC000047218980 175405009 /nfs/dbraw/zinc/40/50/09/175405009.db2.gz LCWKQYRWIJCTTH-CQSZACIVSA-N 2 0 286.460 2.818 40 0 CFABRP Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cn1 ZINC000585181339 348738214 /nfs/dbraw/zinc/73/82/14/348738214.db2.gz OQYONURKQVOSQI-INIZCTEOSA-N 2 0 284.407 2.578 40 0 CFABRP [NH3+]CCCC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001872029 371709834 /nfs/dbraw/zinc/70/98/34/371709834.db2.gz XGCILVMFEGTLPL-ROUUACIJSA-N 2 0 284.403 2.790 40 0 CFABRP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC000096157414 375469910 /nfs/dbraw/zinc/46/99/10/375469910.db2.gz OFKOSVBOPGEQFB-UHFFFAOYSA-N 2 0 285.435 2.780 40 0 CFABRP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC4CC4)C3)CC2)nc1 ZINC000096157565 375470692 /nfs/dbraw/zinc/47/06/92/375470692.db2.gz FNFUUKRHZKJDBF-UHFFFAOYSA-N 2 0 285.435 2.780 40 0 CFABRP C[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C1CCC1)CC2 ZINC000096207047 375477115 /nfs/dbraw/zinc/47/71/15/375477115.db2.gz VEPGBSFYODDTDM-KRWDZBQOSA-N 2 0 292.467 2.752 40 0 CFABRP OCC[NH2+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100178187 375614885 /nfs/dbraw/zinc/61/48/85/375614885.db2.gz NUJJBIXYAVDLBR-CALCHBBNSA-N 2 0 288.435 2.544 40 0 CFABRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886169 382791312 /nfs/dbraw/zinc/79/13/12/382791312.db2.gz VSMZIVJWKZRLRD-JONQDZQNSA-N 2 0 266.429 2.726 40 0 CFABRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)s1 ZINC000096047919 185073061 /nfs/dbraw/zinc/07/30/61/185073061.db2.gz BPVLBPZMRIFCNK-CQSZACIVSA-N 2 0 294.464 2.742 40 0 CFABRP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](CC1CC1)CC2 ZINC000096051773 185074432 /nfs/dbraw/zinc/07/44/32/185074432.db2.gz SHCPCONEUXCTEW-INIZCTEOSA-N 2 0 280.456 2.608 40 0 CFABRP CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2O1 ZINC000096100358 185097861 /nfs/dbraw/zinc/09/78/61/185097861.db2.gz FWGTZXDWLHZEEG-FMKPAKJESA-N 2 0 294.464 2.678 40 0 CFABRP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976515 373533105 /nfs/dbraw/zinc/53/31/05/373533105.db2.gz GDGJJJMFINQFHI-WWGRRREGSA-N 2 0 262.397 2.514 40 0 CFABRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000095147655 375416235 /nfs/dbraw/zinc/41/62/35/375416235.db2.gz GWAOLQNHZPJBDF-VXGBXAGGSA-N 2 0 252.789 2.990 40 0 CFABRP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000257333102 190035730 /nfs/dbraw/zinc/03/57/30/190035730.db2.gz YADWCNINSPBORK-OAHLLOKOSA-N 2 0 282.391 2.816 40 0 CFABRP CC[NH+](CC)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000019526441 170826116 /nfs/dbraw/zinc/82/61/16/170826116.db2.gz KQGKGBNJXJVXDZ-UHFFFAOYSA-N 2 0 286.423 2.872 40 0 CFABRP [NH3+]CC[C@@H](C[NH3+])C1c2ccccc2-c2ccccc21 ZINC000085388779 295235293 /nfs/dbraw/zinc/23/52/93/295235293.db2.gz UWKYPCPZUUUABO-LBPRGKRZSA-N 2 0 252.361 2.723 40 0 CFABRP COc1ccc([C@@]2(CC[NH3+])C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000001242153 371661832 /nfs/dbraw/zinc/66/18/32/371661832.db2.gz QCPLMTXDUPTFBC-ZQIUZPCESA-N 2 0 276.424 2.642 40 0 CFABRP c1cnc2[nH]c(C3CC[NH2+]CC3)c(C[NH+]3CCCC3)c2c1 ZINC000019345147 372156885 /nfs/dbraw/zinc/15/68/85/372156885.db2.gz CKSDHLPVDBNPKT-UHFFFAOYSA-N 2 0 284.407 2.626 40 0 CFABRP CC(C)N(CC[NH3+])C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393619 374607108 /nfs/dbraw/zinc/60/71/08/374607108.db2.gz YLLYGCVGZPBFDU-GOSISDBHSA-N 2 0 289.467 2.710 40 0 CFABRP OCC[NH2+]C1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414436 374610075 /nfs/dbraw/zinc/61/00/75/374610075.db2.gz NUJJBIXYAVDLBR-UHFFFAOYSA-N 2 0 288.435 2.544 40 0 CFABRP Cc1[nH+]cc2cc(C)nc([C@H]3CCC[N@@H+](C(C)C)C3)n21 ZINC000257248505 190020204 /nfs/dbraw/zinc/02/02/04/190020204.db2.gz JDYFNCCPPVYCIQ-AWEZNQCLSA-N 2 0 272.396 2.934 40 0 CFABRP OCC[NH2+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000247740338 383195141 /nfs/dbraw/zinc/19/51/41/383195141.db2.gz NUJJBIXYAVDLBR-QAQDUYKDSA-N 2 0 288.435 2.544 40 0 CFABRP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000248070878 383210978 /nfs/dbraw/zinc/21/09/78/383210978.db2.gz ATWHPKCVHSVPNU-IACUBPJLSA-N 2 0 250.411 2.568 40 0 CFABRP CC(C)C[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515799 393836470 /nfs/dbraw/zinc/83/64/70/393836470.db2.gz PLGZBNKQYBMNSQ-WCQYABFASA-N 2 0 262.401 2.539 40 0 CFABRP CCc1cccc2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000040175090 273771616 /nfs/dbraw/zinc/77/16/16/273771616.db2.gz RFYMUWYAFLCCRA-UHFFFAOYSA-N 2 0 255.365 2.515 40 0 CFABRP c1cc(C[NH+]2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]3C2)cs1 ZINC000096054130 185076599 /nfs/dbraw/zinc/07/65/99/185076599.db2.gz GWLOAMKJLDNZLF-CVEARBPZSA-N 2 0 276.449 2.912 40 0 CFABRP CCOc1cc(C[NH+]2CCC(CC[NH2+]C)CC2)ccc1O ZINC000015424032 372083349 /nfs/dbraw/zinc/08/33/49/372083349.db2.gz KMXZYOAMHOXTPO-UHFFFAOYSA-N 2 0 292.423 2.612 40 0 CFABRP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000036810111 372597443 /nfs/dbraw/zinc/59/74/43/372597443.db2.gz YLEFCBGSCOAZCG-JKSUJKDBSA-N 2 0 250.430 2.888 40 0 CFABRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414673 374609493 /nfs/dbraw/zinc/60/94/93/374609493.db2.gz YAFMEVMHYYTZFE-SFHVURJKSA-N 2 0 289.467 2.710 40 0 CFABRP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000218885844 382791296 /nfs/dbraw/zinc/79/12/96/382791296.db2.gz BQZDRKHCINCMRB-FJIDUMEYSA-N 2 0 288.435 2.984 40 0 CFABRP C[C@@H](CC[C@H]1CCCO1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096484331 533649178 /nfs/dbraw/zinc/64/91/78/533649178.db2.gz YBZJXKRRDPZJQF-ZJIFWQFVSA-N 2 0 266.429 2.551 40 0 CFABRP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047920 393814174 /nfs/dbraw/zinc/81/41/74/393814174.db2.gz RCZATEDKRQORCC-MRXNPFEDSA-N 2 0 292.398 2.511 40 0 CFABRP CCCC[NH+](CCCC)C[C@@H](O)C[NH+](CC)CC ZINC000005551836 170112584 /nfs/dbraw/zinc/11/25/84/170112584.db2.gz MOXDFIJXNYLJIX-HNNXBMFYSA-N 2 0 258.450 2.591 40 0 CFABRP O=C1[C@H](C[NH+]2CCCCC2)CC[C@H]1C[NH+]1CCCCC1 ZINC000001640641 371690368 /nfs/dbraw/zinc/69/03/68/371690368.db2.gz HTDFQOXZDHSVAH-HOTGVXAUSA-N 2 0 278.440 2.554 40 0 CFABRP C[NH+]1CCN(c2c3ccccc3[nH+]c3c2CCCC3)CC1 ZINC000001699154 371698726 /nfs/dbraw/zinc/69/87/26/371698726.db2.gz BHDKLGMXJCGESI-UHFFFAOYSA-N 2 0 281.403 2.865 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000019843456 372197987 /nfs/dbraw/zinc/19/79/87/372197987.db2.gz HQILJWOXVJAMLR-UHFFFAOYSA-N 2 0 283.213 2.620 40 0 CFABRP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042439387 372923878 /nfs/dbraw/zinc/92/38/78/372923878.db2.gz PISFTNFEMIPLBF-ZDUSSCGKSA-N 2 0 252.789 2.771 40 0 CFABRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000043220465 372985755 /nfs/dbraw/zinc/98/57/55/372985755.db2.gz XEZHOPSFZXZJMK-NSHDSACASA-N 2 0 252.789 2.990 40 0 CFABRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000043220466 372986095 /nfs/dbraw/zinc/98/60/95/372986095.db2.gz XEZHOPSFZXZJMK-LLVKDONJSA-N 2 0 252.789 2.990 40 0 CFABRP CC(C)[N@@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1 ZINC000079414697 374609209 /nfs/dbraw/zinc/60/92/09/374609209.db2.gz ZHQYSPMUPZYNDQ-UHFFFAOYSA-N 2 0 289.467 2.568 40 0 CFABRP C[NH+](C)[C@@H]1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000084801880 374789926 /nfs/dbraw/zinc/78/99/26/374789926.db2.gz UUJNVIJVXPBNFW-CQSZACIVSA-N 2 0 264.800 2.968 40 0 CFABRP C[NH+](C)C[C@H]1CCC[C@]2(CC[N@H+](Cc3cccs3)C2)O1 ZINC000096216597 375480172 /nfs/dbraw/zinc/48/01/72/375480172.db2.gz KQTQVFAYTSCMQV-GDBMZVCRSA-N 2 0 294.464 2.823 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)ccc2[nH+]1 ZINC000032500248 274708366 /nfs/dbraw/zinc/70/83/66/274708366.db2.gz MISDVEUJVSQWFZ-UHFFFAOYSA-N 2 0 261.756 2.606 40 0 CFABRP CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257250351 277215566 /nfs/dbraw/zinc/21/55/66/277215566.db2.gz JMEHRFDHLFGCOF-MDMSPXHWSA-N 2 0 270.420 2.832 40 0 CFABRP c1cncc(C[N@H+]2CCCC23CC[NH+](CC2CC2)CC3)c1 ZINC000096049321 185072776 /nfs/dbraw/zinc/07/27/76/185072776.db2.gz VCJKBWBWWOIHOT-UHFFFAOYSA-N 2 0 285.435 2.922 40 0 CFABRP CCCCNC(=[NH2+])NC(=[NH2+])N(CCCC)CCCC ZINC000005510054 346211884 /nfs/dbraw/zinc/21/18/84/346211884.db2.gz QFZFDGALSHDZTK-UHFFFAOYSA-N 2 0 269.437 2.737 40 0 CFABRP Cc1nc[nH]c1C[N@@H+](C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182303 348738129 /nfs/dbraw/zinc/73/81/29/348738129.db2.gz LIXJGTGJSVWLQZ-HNNXBMFYSA-N 2 0 299.422 2.522 40 0 CFABRP Cc1cc(N2CC[NH2+]CC2)c2c(C)ccc(C)c2[nH+]1 ZINC000040175102 372780332 /nfs/dbraw/zinc/78/03/32/372780332.db2.gz DDMQGUIRSXJFMK-UHFFFAOYSA-N 2 0 255.365 2.570 40 0 CFABRP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000054976514 373532911 /nfs/dbraw/zinc/53/29/11/373532911.db2.gz GDGJJJMFINQFHI-IOASZLSFSA-N 2 0 262.397 2.514 40 0 CFABRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000095147657 375416311 /nfs/dbraw/zinc/41/63/11/375416311.db2.gz GWAOLQNHZPJBDF-NEPJUHHUSA-N 2 0 252.789 2.990 40 0 CFABRP CC[NH2+][C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000257229967 190016487 /nfs/dbraw/zinc/01/64/87/190016487.db2.gz GAEIDGGCVQFNMT-KRWDZBQOSA-N 2 0 288.435 2.810 40 0 CFABRP C[NH2+]CCCNc1cc(C)[nH+]c2c(OC)ccc(C)c12 ZINC000222691724 382803314 /nfs/dbraw/zinc/80/33/14/382803314.db2.gz QSUUBYQOZSCSTA-UHFFFAOYSA-N 2 0 273.380 2.882 40 0 CFABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000252514271 383416688 /nfs/dbraw/zinc/41/66/88/383416688.db2.gz BQZDRKHCINCMRB-OWSLCNJRSA-N 2 0 288.435 2.984 40 0 CFABRP CCCC[N@@H+](Cc1ccco1)C[C@H]1CCC[NH2+]C1 ZINC000096523665 393837111 /nfs/dbraw/zinc/83/71/11/393837111.db2.gz YQIHGJLEFPWEPX-AWEZNQCLSA-N 2 0 250.386 2.881 40 0 CFABRP COc1ccc2c(c1)C1(C[C@H]2[NH2+]C2CC2)CC[NH2+]CC1 ZINC000096157367 393815824 /nfs/dbraw/zinc/81/58/24/393815824.db2.gz AXXKPIUVXXQZET-MRXNPFEDSA-N 2 0 272.392 2.513 40 0 CFABRP Cc1cc(NCCCCCC[NH3+])nc(N2CCCCC2)[nH+]1 ZINC000008731105 397536968 /nfs/dbraw/zinc/53/69/68/397536968.db2.gz GMSZOBFMAGEOGA-UHFFFAOYSA-N 2 0 291.443 2.706 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000015424020 170665893 /nfs/dbraw/zinc/66/58/93/170665893.db2.gz GPTTWNNGLLKTGO-UHFFFAOYSA-N 2 0 292.423 2.525 40 0 CFABRP C[NH+](C)[C@H]1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000084801881 178927572 /nfs/dbraw/zinc/92/75/72/178927572.db2.gz UUJNVIJVXPBNFW-AWEZNQCLSA-N 2 0 264.800 2.968 40 0 CFABRP CC(C)[C@@H]1[C@@H]2C[N@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409432578 348601008 /nfs/dbraw/zinc/60/10/08/348601008.db2.gz WAWUURVMWPXQKR-BRWVUGGUSA-N 2 0 258.409 2.705 40 0 CFABRP CC(C)[C@@H]1[C@H]2C[N@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409432581 348601662 /nfs/dbraw/zinc/60/16/62/348601662.db2.gz WAWUURVMWPXQKR-YESZJQIVSA-N 2 0 258.409 2.705 40 0 CFABRP Cc1nc[nH]c1C[N@@H+](C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182304 348737962 /nfs/dbraw/zinc/73/79/62/348737962.db2.gz LIXJGTGJSVWLQZ-OAHLLOKOSA-N 2 0 299.422 2.522 40 0 CFABRP [NH3+]CCCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001872025 371709732 /nfs/dbraw/zinc/70/97/32/371709732.db2.gz XGCILVMFEGTLPL-ZWKOTPCHSA-N 2 0 284.403 2.790 40 0 CFABRP [NH3+]CCCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001872030 371709783 /nfs/dbraw/zinc/70/97/83/371709783.db2.gz XGCILVMFEGTLPL-MSOLQXFVSA-N 2 0 284.403 2.790 40 0 CFABRP CC[NH+](CC)CCCNc1cc[nH+]c2c(N)cccc12 ZINC000001722902 371703372 /nfs/dbraw/zinc/70/33/72/371703372.db2.gz DGDHSVMJKWYAPA-UHFFFAOYSA-N 2 0 272.396 2.961 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000019843464 372198478 /nfs/dbraw/zinc/19/84/78/372198478.db2.gz IARLQXASBIVOHZ-UHFFFAOYSA-N 2 0 283.213 2.620 40 0 CFABRP CNc1cc([C@H]2CCCN(c3ccnc(C)n3)C2)ccn1 ZINC000257301147 383495533 /nfs/dbraw/zinc/49/55/33/383495533.db2.gz RXEAHJQKDKTBNT-AWEZNQCLSA-N 2 0 283.379 2.606 40 0 CFABRP CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1[NH2+]CCN(C)C ZINC000019774444 393483182 /nfs/dbraw/zinc/48/31/82/393483182.db2.gz XFNDXCULCBDGRM-PMPSAXMXSA-N 2 0 298.471 2.676 40 0 CFABRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC1)CC21CC[NH2+]CC1 ZINC000096157372 393816341 /nfs/dbraw/zinc/81/63/41/393816341.db2.gz AHMRAUXCXKBHGC-MRXNPFEDSA-N 2 0 256.393 2.813 40 0 CFABRP Cc1cc[n+](CCCCC[n+]2ccc(C)cc2)cc1 ZINC000001667615 292028041 /nfs/dbraw/zinc/02/80/41/292028041.db2.gz FBRNBXMCTOPTSI-UHFFFAOYSA-N 2 0 256.393 2.749 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+]CC2CC2)CC[NH2+]CC1 ZINC000096088797 282994484 /nfs/dbraw/zinc/99/44/84/282994484.db2.gz UBCSAQVDKCTNGY-INIZCTEOSA-N 2 0 274.383 2.891 40 0 CFABRP C[C@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004154859 291160542 /nfs/dbraw/zinc/16/05/42/291160542.db2.gz RYJLDVIZDHEQLN-HLLBOEOZSA-N 2 0 260.425 2.924 40 0 CFABRP CC(C)N(CC[NH3+])C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393626 374608317 /nfs/dbraw/zinc/60/83/17/374608317.db2.gz YQMGLCVNSXRXAX-SFHVURJKSA-N 2 0 289.467 2.568 40 0 CFABRP [NH3+][C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1 ZINC000218886334 382791291 /nfs/dbraw/zinc/79/12/91/382791291.db2.gz VSMZIVJWKZRLRD-JJXSEGSLSA-N 2 0 266.429 2.726 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@@H]2[NH+]2CCCC2)CC[NH2+]CC1 ZINC000096157364 393816236 /nfs/dbraw/zinc/81/62/36/393816236.db2.gz DHTXTEPZWNOQTA-INIZCTEOSA-N 2 0 274.383 2.988 40 0 CFABRP CC[NH+](CC)CC[C@H](CNC(N)=[NH2+])c1ccc(Cl)cc1 ZINC000006382376 170196891 /nfs/dbraw/zinc/19/68/91/170196891.db2.gz VHGYHSCTCUPEDB-CYBMUJFWSA-N 2 0 296.846 2.639 40 0 CFABRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079414688 177484110 /nfs/dbraw/zinc/48/41/10/177484110.db2.gz ZHEPEYQXBQEILI-SFHVURJKSA-N 2 0 289.467 2.568 40 0 CFABRP Fc1ccc2c(c1)C1(C[C@H]2[NH+]2CCCC2)CC[NH2+]CC1 ZINC000096157365 260563872 /nfs/dbraw/zinc/56/38/72/260563872.db2.gz DHTXTEPZWNOQTA-MRXNPFEDSA-N 2 0 274.383 2.988 40 0 CFABRP [NH3+]CCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000001562717 371680696 /nfs/dbraw/zinc/68/06/96/371680696.db2.gz RNPZBNMJXOZPHY-UHFFFAOYSA-N 2 0 295.858 2.981 40 0 CFABRP C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000051919062 373417648 /nfs/dbraw/zinc/41/76/48/373417648.db2.gz MCSZLRUACZVXNF-JYJNAYRXSA-N 2 0 250.430 2.888 40 0 CFABRP [NH3+]CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000019843448 170891172 /nfs/dbraw/zinc/89/11/72/170891172.db2.gz DAZCKFFGNIHWGO-UHFFFAOYSA-N 2 0 289.242 2.681 40 0 CFABRP C[NH2+]CCC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000020133870 171022042 /nfs/dbraw/zinc/02/20/42/171022042.db2.gz JDDITIGPCXZYOT-UHFFFAOYSA-N 2 0 262.397 2.517 40 0 CFABRP [NH3+]CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000044628734 175221829 /nfs/dbraw/zinc/22/18/29/175221829.db2.gz JAEDCEBPJIBQDO-UHFFFAOYSA-N 2 0 255.243 2.624 40 0 CFABRP