smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)nc2ccccc12 ZINC001506403971 937989574 /nfs/dbraw/zinc/98/95/74/937989574.db2.gz QEWXHOLPNYMNOH-HOTGVXAUSA-N 1 0 295.430 3.464 50 0 CGAARO CCC[N@H+](Cc1cnc(C)cn1)C1Cc2ccccc2C1 ZINC001506418198 937989934 /nfs/dbraw/zinc/98/99/34/937989934.db2.gz FNAHHNUBVKLGQK-UHFFFAOYSA-N 1 0 281.403 3.164 50 0 CGAARO Cc1ccc(SCCC[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC001506421587 937990056 /nfs/dbraw/zinc/99/00/56/937990056.db2.gz QZUMNHQRKGPXBG-UHFFFAOYSA-N 1 0 289.448 3.343 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2(Cc3ccccc3)CC2)n1 ZINC001506427214 937990095 /nfs/dbraw/zinc/99/00/95/937990095.db2.gz VPLHJSFIJRWEQN-HNNXBMFYSA-N 1 0 283.419 3.253 50 0 CGAARO CCCc1cc(N[C@H]2CCC[N@@H+](CCC)C2)nc(C)n1 ZINC001506425950 937990216 /nfs/dbraw/zinc/99/02/16/937990216.db2.gz STYFCZMDTGKDAB-HNNXBMFYSA-N 1 0 276.428 3.024 50 0 CGAARO CCCO[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC001529191932 938071659 /nfs/dbraw/zinc/07/16/59/938071659.db2.gz KABQEKGPZTVNLN-KRWDZBQOSA-N 1 0 295.398 3.486 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189323047 230396056 /nfs/dbraw/zinc/39/60/56/230396056.db2.gz AJUIXOUXNDEACK-UHFFFAOYSA-N 1 0 279.742 3.261 50 0 CGAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCCCn1cncn1 ZINC000095962573 185045044 /nfs/dbraw/zinc/04/50/44/185045044.db2.gz HDFJBFKUDRGSLZ-OAGGEKHMSA-N 1 0 276.428 3.101 50 0 CGAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000095995358 185060437 /nfs/dbraw/zinc/06/04/37/185060437.db2.gz QCZPHPVHKVDDBE-CYBMUJFWSA-N 1 0 298.224 3.184 50 0 CGAARO CC[NH+](CC)CCSCc1cccc(NC(C)=O)c1 ZINC000083093066 178338225 /nfs/dbraw/zinc/33/82/25/178338225.db2.gz RIXVHULGSLBXCE-UHFFFAOYSA-N 1 0 280.437 3.220 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)s1 ZINC000097022843 185153555 /nfs/dbraw/zinc/15/35/55/185153555.db2.gz YPNKGURDQRSSJX-CABZTGNLSA-N 1 0 296.461 3.423 50 0 CGAARO O[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000097033248 185156544 /nfs/dbraw/zinc/15/65/44/185156544.db2.gz AAJGXXSNWOEAMZ-CABCVRRESA-N 1 0 275.323 3.119 50 0 CGAARO Cc1nnc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)o1 ZINC000071915692 282315548 /nfs/dbraw/zinc/31/55/48/282315548.db2.gz IYQYYFKQYKNWLU-OCCSQVGLSA-N 1 0 271.364 3.064 50 0 CGAARO Cc1cc(C)cc(OCCOCC[NH+]2CCCCC2)c1 ZINC000016666907 344887161 /nfs/dbraw/zinc/88/71/61/344887161.db2.gz ZHMRICDOPIOJCB-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc1 ZINC000022078233 344894206 /nfs/dbraw/zinc/89/42/06/344894206.db2.gz PDAYATZXUZFRMY-XJKSGUPXSA-N 1 0 276.449 3.077 50 0 CGAARO CC(C)c1cccc(OCCCCCN2CC[NH2+]CC2)c1 ZINC000034870395 344941298 /nfs/dbraw/zinc/94/12/98/344941298.db2.gz GRFUJHJXZBKRJK-UHFFFAOYSA-N 1 0 290.451 3.264 50 0 CGAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc1 ZINC000043164430 344995301 /nfs/dbraw/zinc/99/53/01/344995301.db2.gz PDAYATZXUZFRMY-CJNGLKHVSA-N 1 0 276.449 3.077 50 0 CGAARO CN(CC[NH+](C)C)Cc1ccccc1Cc1ccccc1 ZINC000075373214 345504700 /nfs/dbraw/zinc/50/47/00/345504700.db2.gz BOMNLPSALZVXTF-UHFFFAOYSA-N 1 0 282.431 3.271 50 0 CGAARO CCC[C@](C)(CO)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000076017850 345530887 /nfs/dbraw/zinc/53/08/87/345530887.db2.gz XVUYVICYASQODQ-QGZVFWFLSA-N 1 0 294.414 3.067 50 0 CGAARO C[C@H](C1CC1)[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000076192491 345538435 /nfs/dbraw/zinc/53/84/35/345538435.db2.gz AWTYOSFWYWEANL-YGRLFVJLSA-N 1 0 253.773 3.104 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000078897462 345623893 /nfs/dbraw/zinc/62/38/93/345623893.db2.gz WYIBHVWCGRCGRB-WMLDXEAASA-N 1 0 288.435 3.040 50 0 CGAARO Cc1cccc([C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000083424644 345726206 /nfs/dbraw/zinc/72/62/06/345726206.db2.gz XPKOYNFVAWXLOJ-CYBMUJFWSA-N 1 0 270.380 3.054 50 0 CGAARO CN(Cc1cccs1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000095427966 345900461 /nfs/dbraw/zinc/90/04/61/345900461.db2.gz HTKAXMDERDMUPQ-UONOGXRCSA-N 1 0 280.437 3.004 50 0 CGAARO Cc1cc(C)cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000095956255 345901179 /nfs/dbraw/zinc/90/11/79/345901179.db2.gz TUDGRQHMPDWOQJ-MRXNPFEDSA-N 1 0 282.387 3.159 50 0 CGAARO O[C@@](Cc1ccccc1)(C[NH+]1CCCC1)c1ccccc1 ZINC000096027130 345901863 /nfs/dbraw/zinc/90/18/63/345901863.db2.gz SBHQFACFWZTPNT-IBGZPJMESA-N 1 0 281.399 3.213 50 0 CGAARO Cc1csc([C@H]([NH2+][C@@H]2CCCSC2)C2CC2)n1 ZINC000097370838 345908061 /nfs/dbraw/zinc/90/80/61/345908061.db2.gz CDWCYHUSUNAEEP-VXGBXAGGSA-N 1 0 268.451 3.388 50 0 CGAARO C[C@@H](CC[NH+]1CCC(c2nncn2C)CC1)c1ccccc1 ZINC000193736973 346269972 /nfs/dbraw/zinc/26/99/72/346269972.db2.gz LUPNXZLLJIXIJC-HNNXBMFYSA-N 1 0 298.434 3.188 50 0 CGAARO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)[C@H](c2ccco2)C1 ZINC000215639943 346289206 /nfs/dbraw/zinc/28/92/06/346289206.db2.gz ZHFBAGLAWAQLLB-UKPHBRMFSA-N 1 0 298.386 3.279 50 0 CGAARO Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCC[C@H](C)CC1 ZINC000584889131 346722441 /nfs/dbraw/zinc/72/24/41/346722441.db2.gz QXGNBWOJMUFOSS-JTQLQIEISA-N 1 0 287.329 3.426 50 0 CGAARO C[C@H]([NH2+]C/C=C\c1ccccn1)[C@@H](c1ccccc1)N(C)C ZINC000606444477 348184385 /nfs/dbraw/zinc/18/43/85/348184385.db2.gz VKOHGPOPNOWCOS-ASVSUOFKSA-N 1 0 295.430 3.376 50 0 CGAARO C[C@@H](c1ccncc1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000609536920 348346295 /nfs/dbraw/zinc/34/62/95/348346295.db2.gz VASVMHYQGLLMKM-ZDUSSCGKSA-N 1 0 290.407 3.196 50 0 CGAARO Cc1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000090888797 180053955 /nfs/dbraw/zinc/05/39/55/180053955.db2.gz AFGCPSPQSVZVSN-LBPRGKRZSA-N 1 0 268.426 3.196 50 0 CGAARO COCCC[C@@]1(CO)CCC[N@@H+](C2CCCCCC2)C1 ZINC000091255486 180114921 /nfs/dbraw/zinc/11/49/21/180114921.db2.gz MNLFLHGLDHQHKL-KRWDZBQOSA-N 1 0 283.456 3.210 50 0 CGAARO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000108328776 186210831 /nfs/dbraw/zinc/21/08/31/186210831.db2.gz AGBAYERCPNQLQL-OAUYIBNBSA-N 1 0 290.407 3.253 50 0 CGAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1c(C)noc1C ZINC000110642467 186308305 /nfs/dbraw/zinc/30/83/05/186308305.db2.gz CPKVBTLGXYSVEX-QWHCGFSZSA-N 1 0 254.399 3.007 50 0 CGAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000002582522 169813757 /nfs/dbraw/zinc/81/37/57/169813757.db2.gz TVWKLNXMDCBTOL-QGZVFWFLSA-N 1 0 299.370 3.219 50 0 CGAARO C[C@@H](c1nc(-c2ccsn2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000297159715 200101608 /nfs/dbraw/zinc/10/16/08/200101608.db2.gz CUVLBEHHUBOABO-BBBLOLIVSA-N 1 0 278.381 3.127 50 0 CGAARO C[C@H](c1nc(-c2ccsn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000297161498 200102157 /nfs/dbraw/zinc/10/21/57/200102157.db2.gz CUVLBEHHUBOABO-KXUCPTDWSA-N 1 0 278.381 3.127 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218909776 376191922 /nfs/dbraw/zinc/19/19/22/376191922.db2.gz UZWUCKIEAYEOGT-JHJVBQTASA-N 1 0 294.826 3.377 50 0 CGAARO Cc1ccc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc1 ZINC000000203392 368314529 /nfs/dbraw/zinc/31/45/29/368314529.db2.gz STCAMOZYYZRDNG-UHFFFAOYSA-N 1 0 271.364 3.277 50 0 CGAARO C[NH+](C)CCN(Cc1ccccc1)c1ccccc1 ZINC000000001425 368269738 /nfs/dbraw/zinc/26/97/38/368269738.db2.gz CHOBRHHOYQKCOU-UHFFFAOYSA-N 1 0 254.377 3.255 50 0 in-vitro CGAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000000052775 368278515 /nfs/dbraw/zinc/27/85/15/368278515.db2.gz OCFLFQDQCLZABG-IIAWOOMASA-N 1 0 275.392 3.351 50 0 CGAARO COc1cc(C[NH2+]Cc2ccccc2OC)cc(OC)c1 ZINC000000172193 368308439 /nfs/dbraw/zinc/30/84/39/368308439.db2.gz BREOMRSZUCUUMQ-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO COc1cccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000000176488 368309824 /nfs/dbraw/zinc/30/98/24/368309824.db2.gz QFJXJGIGYUGIJX-OKILXGFUSA-N 1 0 290.407 3.002 50 0 CGAARO CSc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000000183244 368310517 /nfs/dbraw/zinc/31/05/17/368310517.db2.gz ULZXYSVZJNDDQX-UHFFFAOYSA-N 1 0 287.428 3.403 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000255015 368325203 /nfs/dbraw/zinc/32/52/03/368325203.db2.gz ZVZSXJQBIPCAHD-RYUDHWBXSA-N 1 0 296.361 3.271 50 0 CGAARO COc1ccc(CC[NH2+]C2CCCCC2)cc1OC ZINC000000263299 368328077 /nfs/dbraw/zinc/32/80/77/368328077.db2.gz QYUUWFKPJWELGD-UHFFFAOYSA-N 1 0 263.381 3.169 50 0 CGAARO CN(Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC000000278862 368331941 /nfs/dbraw/zinc/33/19/41/368331941.db2.gz KYCXLDNIRPXWKB-UHFFFAOYSA-N 1 0 270.779 3.005 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cc2ccccc2o1 ZINC000000375723 368351360 /nfs/dbraw/zinc/35/13/60/368351360.db2.gz OWDXBQVUGZSYIG-CYBMUJFWSA-N 1 0 287.359 3.464 50 0 CGAARO CC(C)COC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000406729 368360394 /nfs/dbraw/zinc/36/03/94/368360394.db2.gz ZKYSDIOVNQWUHG-UHFFFAOYSA-N 1 0 290.407 3.033 50 0 CGAARO CC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(OC)cc1 ZINC000000425597 368362403 /nfs/dbraw/zinc/36/24/03/368362403.db2.gz DXEAFQRYDYBYAS-NSHDSACASA-N 1 0 297.362 3.035 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C1CCCC1 ZINC000000897120 368397423 /nfs/dbraw/zinc/39/74/23/368397423.db2.gz KQXKVJAGOJTNJS-OAHLLOKOSA-N 1 0 291.435 3.472 50 0 in-man CGAARO CC1=C(CC[N@@H+]2CCC[C@H](O)C2)C(C)(C)CCC1 ZINC000000757240 368393958 /nfs/dbraw/zinc/39/39/58/368393958.db2.gz LZMIRIAFOMPJGM-AWEZNQCLSA-N 1 0 251.414 3.360 50 0 CGAARO CC(C)[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001567835 368419579 /nfs/dbraw/zinc/41/95/79/368419579.db2.gz BQXQGZPYHWWCEB-ZDUSSCGKSA-N 1 0 298.386 3.059 50 0 in-man CGAARO Cc1[nH]c2c(cc(C)cc2Br)c1CC[NH3+] ZINC000001235013 368405091 /nfs/dbraw/zinc/40/50/91/368405091.db2.gz MSHOCEJRLMCUTN-UHFFFAOYSA-N 1 0 267.170 3.048 50 0 CGAARO Cc1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000001269709 368405554 /nfs/dbraw/zinc/40/55/54/368405554.db2.gz XQMUDLCVHAHUPM-GFCCVEGCSA-N 1 0 275.377 3.095 50 0 CGAARO C[C@H]([C@@H](O)c1cccc2c1CCCC2)[NH+]1CCCCC1 ZINC000001278200 368405988 /nfs/dbraw/zinc/40/59/88/368405988.db2.gz AJNWUQVKWIOTNU-RDTXWAMCSA-N 1 0 273.420 3.473 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000002655106 368472544 /nfs/dbraw/zinc/47/25/44/368472544.db2.gz BZBCTFBZRKVQGN-KRWDZBQOSA-N 1 0 291.435 3.437 50 0 CGAARO CCCC[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000002846177 368481186 /nfs/dbraw/zinc/48/11/86/368481186.db2.gz QINDPNVVKKSYNC-UHFFFAOYSA-N 1 0 257.761 3.247 50 0 CGAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1ccccc1 ZINC000002989752 368486343 /nfs/dbraw/zinc/48/63/43/368486343.db2.gz ASSRSPVDYOXRMO-INIZCTEOSA-N 1 0 279.424 3.040 50 0 CGAARO O=C(NCCC[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000003085934 368490615 /nfs/dbraw/zinc/49/06/15/368490615.db2.gz WTCHCIYARWAJAI-UHFFFAOYSA-N 1 0 295.814 3.338 50 0 CGAARO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000003395555 368505912 /nfs/dbraw/zinc/50/59/12/368505912.db2.gz HZLNHHAVICFFEX-IRXDYDNUSA-N 1 0 299.414 3.394 50 0 CGAARO CCCC[NH+](CCCC)CCCNC(=O)OCC ZINC000004577434 368551523 /nfs/dbraw/zinc/55/15/23/368551523.db2.gz WSVWLLGZIDDRMO-UHFFFAOYSA-N 1 0 258.406 3.025 50 0 CGAARO OCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010473826 368582307 /nfs/dbraw/zinc/58/23/07/368582307.db2.gz RLVCLVHHHMWYER-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO CCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C)c1 ZINC000011838935 368597502 /nfs/dbraw/zinc/59/75/02/368597502.db2.gz QVUQBYSPWCMOQG-QGZVFWFLSA-N 1 0 288.435 3.266 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000012382552 368610858 /nfs/dbraw/zinc/61/08/58/368610858.db2.gz CTIQYVJHLPZUTE-UHFFFAOYSA-N 1 0 296.414 3.442 50 0 CGAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012629039 368622493 /nfs/dbraw/zinc/62/24/93/368622493.db2.gz SFMQGLFAAKGSSQ-UHFFFAOYSA-N 1 0 288.435 3.157 50 0 CGAARO O=C(Nc1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013118650 368644015 /nfs/dbraw/zinc/64/40/15/368644015.db2.gz OVSLXLJKOJXULE-ZBFHGGJFSA-N 1 0 288.391 3.500 50 0 CGAARO CCc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000013322835 368649602 /nfs/dbraw/zinc/64/96/02/368649602.db2.gz XXBKVDAEIQPFJK-UHFFFAOYSA-N 1 0 260.381 3.064 50 0 CGAARO Oc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1Cl ZINC000015075921 368689653 /nfs/dbraw/zinc/68/96/53/368689653.db2.gz HRZXRCGAMFCMCI-ZDUSSCGKSA-N 1 0 289.762 3.139 50 0 CGAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000014115767 368675325 /nfs/dbraw/zinc/67/53/25/368675325.db2.gz VHDUOUSHDNMJQN-UHFFFAOYSA-N 1 0 286.400 3.165 50 0 CGAARO c1ccc(Cc2ccccc2O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631660 368682711 /nfs/dbraw/zinc/68/27/11/368682711.db2.gz ZDLQOHMCALKCGB-KRWDZBQOSA-N 1 0 267.372 3.408 50 0 CGAARO Cc1cc(O[C@@H]2CC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000014632291 368684066 /nfs/dbraw/zinc/68/40/66/368684066.db2.gz JVLXGRRAAAWLKM-SECBINFHSA-N 1 0 260.164 3.351 50 0 CGAARO Cc1cccc(OCCCCC[NH+]2CCOCC2)c1C ZINC000019595561 368758929 /nfs/dbraw/zinc/75/89/29/368758929.db2.gz NTVZPFWOTXHCLQ-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO Cc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019789273 368765555 /nfs/dbraw/zinc/76/55/55/368765555.db2.gz XKOYXLLPZQPTCQ-UHFFFAOYSA-N 1 0 258.409 3.055 50 0 CGAARO CCc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019851293 368773969 /nfs/dbraw/zinc/77/39/69/368773969.db2.gz HPXMZHVUYMNKKH-UHFFFAOYSA-N 1 0 272.436 3.309 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccccc2OC)c1 ZINC000019855980 368774585 /nfs/dbraw/zinc/77/45/85/368774585.db2.gz DMGHHYSUYWQNMM-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000019259350 368746611 /nfs/dbraw/zinc/74/66/11/368746611.db2.gz RIGUJORUUQXWDS-NSHDSACASA-N 1 0 255.321 3.350 50 0 CGAARO CSc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019359606 368750242 /nfs/dbraw/zinc/75/02/42/368750242.db2.gz IGJFBXLPAGCGGP-UHFFFAOYSA-N 1 0 290.476 3.469 50 0 CGAARO COc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019536551 368757200 /nfs/dbraw/zinc/75/72/00/368757200.db2.gz PZWUXLYHUYYZIA-UHFFFAOYSA-N 1 0 296.414 3.013 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019882739 368775396 /nfs/dbraw/zinc/77/53/96/368775396.db2.gz YADQZAAUUYHEEI-MRVPVSSYSA-N 1 0 260.150 3.476 50 0 CGAARO Cc1cc(OCCC[NH+]2CCN(C)CC2)cc(C(C)C)c1 ZINC000020118730 368804235 /nfs/dbraw/zinc/80/42/35/368804235.db2.gz HOLIXGUAGMUISS-UHFFFAOYSA-N 1 0 290.451 3.135 50 0 CGAARO CC(C)[NH+](CCNC(=O)c1ccc2ccccc2n1)C(C)C ZINC000023179424 368817024 /nfs/dbraw/zinc/81/70/24/368817024.db2.gz XWLILVBBDKHTSL-UHFFFAOYSA-N 1 0 299.418 3.083 50 0 CGAARO c1cnn(-c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000024574401 368833218 /nfs/dbraw/zinc/83/32/18/368833218.db2.gz IZWOSEWXUDAYDH-UHFFFAOYSA-N 1 0 289.382 3.431 50 0 CGAARO COc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000019903212 368777569 /nfs/dbraw/zinc/77/75/69/368777569.db2.gz MUYYJXFCZXKCEQ-LBPRGKRZSA-N 1 0 285.343 3.275 50 0 CGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(O)c1 ZINC000020033347 368794366 /nfs/dbraw/zinc/79/43/66/368794366.db2.gz BPHFSKBWRHOQHL-QGZVFWFLSA-N 1 0 294.354 3.117 50 0 biogenic CGAARO CC(=O)Nc1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000030637541 368904447 /nfs/dbraw/zinc/90/44/47/368904447.db2.gz PPPVCLDWWJKJQI-UHFFFAOYSA-N 1 0 294.398 3.466 50 0 CGAARO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000034303945 368973683 /nfs/dbraw/zinc/97/36/83/368973683.db2.gz WKQDMNDNLBVMJY-LJQANCHMSA-N 1 0 295.382 3.003 50 0 CGAARO c1n[nH]cc1-c1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000032519396 368933705 /nfs/dbraw/zinc/93/37/05/368933705.db2.gz AYYOWMIPZMEYNQ-UHFFFAOYSA-N 1 0 263.344 3.367 50 0 CGAARO CSC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000032523718 368934015 /nfs/dbraw/zinc/93/40/15/368934015.db2.gz CZDBRLYWNRXTNG-DZGCQCFKSA-N 1 0 277.433 3.333 50 0 CGAARO FC(F)Oc1ccccc1C[NH2+]C1CCSCC1 ZINC000035120981 368997981 /nfs/dbraw/zinc/99/79/81/368997981.db2.gz LPDSTSDIOQNVHT-UHFFFAOYSA-N 1 0 273.348 3.273 50 0 CGAARO CCC[C@@H](O)C[N@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097231 369008784 /nfs/dbraw/zinc/00/87/84/369008784.db2.gz IFAMTNLASXFDKY-OAHLLOKOSA-N 1 0 295.423 3.077 50 0 CGAARO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)C(C)C)c1 ZINC000036100389 369009178 /nfs/dbraw/zinc/00/91/78/369009178.db2.gz BIBXVSNZFXEAHA-KRWDZBQOSA-N 1 0 263.425 3.470 50 0 CGAARO C[NH+]1CCC(Nc2ccccc2OCC(F)(F)F)CC1 ZINC000036981328 369045176 /nfs/dbraw/zinc/04/51/76/369045176.db2.gz KMZSEPKCGRMJMU-UHFFFAOYSA-N 1 0 288.313 3.134 50 0 CGAARO COc1ccc(CC[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1 ZINC000039248421 369148787 /nfs/dbraw/zinc/14/87/87/369148787.db2.gz VAEJKFNRDIUYSH-SFHVURJKSA-N 1 0 299.414 3.340 50 0 CGAARO C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000040160656 369153297 /nfs/dbraw/zinc/15/32/97/369153297.db2.gz NRPRNMMXOSEXQW-LLVKDONJSA-N 1 0 299.296 3.408 50 0 CGAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000042775724 369232331 /nfs/dbraw/zinc/23/23/31/369232331.db2.gz KYNBRVJEMYUGBC-LLVKDONJSA-N 1 0 276.767 3.267 50 0 CGAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000042465288 369223043 /nfs/dbraw/zinc/22/30/43/369223043.db2.gz RQZYSOXLIQYOMC-FZMZJTMJSA-N 1 0 287.325 3.093 50 0 CGAARO Clc1ccc(CO[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775973 369231892 /nfs/dbraw/zinc/23/18/92/369231892.db2.gz SOLSRSFSAGMWKT-LLVKDONJSA-N 1 0 260.164 3.262 50 0 CGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)C ZINC000052397135 369469398 /nfs/dbraw/zinc/46/93/98/369469398.db2.gz GKJVYQZARXFDDC-UHFFFAOYSA-N 1 0 276.424 3.191 50 0 CGAARO COc1c(Cl)cc(Cl)cc1CNCCC[NH+](C)C ZINC000057364349 369536529 /nfs/dbraw/zinc/53/65/29/369536529.db2.gz GPWCUYPOXOGMPF-UHFFFAOYSA-N 1 0 291.222 3.043 50 0 CGAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cnc(OC)nc1 ZINC000055183288 369513624 /nfs/dbraw/zinc/51/36/24/369513624.db2.gz RPZQFOHPTQOLQX-LBPRGKRZSA-N 1 0 291.420 3.347 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000219171278 376197075 /nfs/dbraw/zinc/19/70/75/376197075.db2.gz KJEWUVXLQZGSCP-YNEHKIRRSA-N 1 0 265.426 3.110 50 0 CGAARO Cn1nccc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000058296305 369561558 /nfs/dbraw/zinc/56/15/58/369561558.db2.gz MOHMYFHSTGNZEE-UHFFFAOYSA-N 1 0 283.419 3.232 50 0 CGAARO O=C(NCCC[NH+]1CCCC1)c1cccc2ccccc21 ZINC000061547435 369601475 /nfs/dbraw/zinc/60/14/75/369601475.db2.gz LBICTZWSEDFEIH-UHFFFAOYSA-N 1 0 282.387 3.056 50 0 CGAARO CCOCc1nc(-c2ccccc2)nn1-c1cc[nH+]cc1C ZINC000063884346 369650012 /nfs/dbraw/zinc/65/00/12/369650012.db2.gz GVXCODGZQVIRMJ-UHFFFAOYSA-N 1 0 294.358 3.174 50 0 CGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2)CC1 ZINC000062639829 369627588 /nfs/dbraw/zinc/62/75/88/369627588.db2.gz IOOKCEMXPDBNAC-UHFFFAOYSA-N 1 0 275.396 3.025 50 0 CGAARO Cc1cnccc1C[N@H+](C)Cc1cccn1-c1cccnc1 ZINC000065431949 369675214 /nfs/dbraw/zinc/67/52/14/369675214.db2.gz QWUZEUNWDCBVSL-UHFFFAOYSA-N 1 0 292.386 3.208 50 0 CGAARO C[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000065421575 369675245 /nfs/dbraw/zinc/67/52/45/369675245.db2.gz QLPFDPQDJQECNS-AWEZNQCLSA-N 1 0 272.417 3.459 50 0 CGAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C3CC3)c2C1 ZINC000065490466 369679557 /nfs/dbraw/zinc/67/95/57/369679557.db2.gz NIVKLIPKZCMSFW-LBPRGKRZSA-N 1 0 272.392 3.395 50 0 CGAARO OCC1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000066421660 369693917 /nfs/dbraw/zinc/69/39/17/369693917.db2.gz WKVIWIQBSIAZNO-UHFFFAOYSA-N 1 0 261.390 3.106 50 0 CGAARO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000067723110 369725559 /nfs/dbraw/zinc/72/55/59/369725559.db2.gz VFVPUFKFNPLAKA-ZDUSSCGKSA-N 1 0 284.359 3.061 50 0 CGAARO CC[NH+](CC)CCn1ccnc1-c1ccc2onc(C)c2c1 ZINC000067773793 369729375 /nfs/dbraw/zinc/72/93/75/369729375.db2.gz ZBHFJDGQTOXIDS-UHFFFAOYSA-N 1 0 298.390 3.342 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1nncn1C1CCCCC1 ZINC000067804137 369730184 /nfs/dbraw/zinc/73/01/84/369730184.db2.gz POHGTHVIJIKIJP-LBPRGKRZSA-N 1 0 282.457 3.015 50 0 CGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000067894763 369735668 /nfs/dbraw/zinc/73/56/68/369735668.db2.gz SWJOLOJJQABUGF-CYBMUJFWSA-N 1 0 296.374 3.239 50 0 CGAARO Cc1ccccc1[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072429423 369820730 /nfs/dbraw/zinc/82/07/30/369820730.db2.gz MNEYRZZBKFQNMG-INIZCTEOSA-N 1 0 269.392 3.108 50 0 CGAARO c1ccc(CNc2cc(N3CCCC3)cc[nH+]2)cc1 ZINC000074937908 369891572 /nfs/dbraw/zinc/89/15/72/369891572.db2.gz URJLSEHSDBWJIN-UHFFFAOYSA-N 1 0 253.349 3.294 50 0 CGAARO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)C1 ZINC000075921283 369922003 /nfs/dbraw/zinc/92/20/03/369922003.db2.gz ZKWKUCCKOHWCBC-NEPJUHHUSA-N 1 0 270.829 3.451 50 0 CGAARO CCc1ccc([C@@H](O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000088203209 370031486 /nfs/dbraw/zinc/03/14/86/370031486.db2.gz XGXOLZMGKAHSJJ-IBGZPJMESA-N 1 0 283.415 3.457 50 0 CGAARO CC[N@H+](CC1CCOCC1)[C@@H](C)c1cccc(O)c1 ZINC000080932218 369992009 /nfs/dbraw/zinc/99/20/09/369992009.db2.gz ZCSGTTHJRTYDEJ-ZDUSSCGKSA-N 1 0 263.381 3.202 50 0 CGAARO CO[C@@H](C[NH2+][C@H](C)C1CCOCC1)c1ccccc1Cl ZINC000090453362 370060372 /nfs/dbraw/zinc/06/03/72/370060372.db2.gz XLFPELFYQJDZDO-WBMJQRKESA-N 1 0 297.826 3.432 50 0 CGAARO C/C(=C/c1ccccc1)C[NH+]1CCC(n2cncn2)CC1 ZINC000092647950 370100033 /nfs/dbraw/zinc/10/00/33/370100033.db2.gz HLGVIBIKGVHBAX-PTNGSMBKSA-N 1 0 282.391 3.019 50 0 CGAARO C[C@@H](C[N@H+](C)Cc1ccc(CO)o1)c1ccccc1 ZINC000093008971 370105231 /nfs/dbraw/zinc/10/52/31/370105231.db2.gz XLIUZENKDPCIRR-ZDUSSCGKSA-N 1 0 259.349 3.007 50 0 CGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1)C2 ZINC000095380866 370180292 /nfs/dbraw/zinc/18/02/92/370180292.db2.gz SAXFQEZOSCSOSZ-GDBMZVCRSA-N 1 0 287.407 3.025 50 0 CGAARO Cc1ccnc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000095386124 370181343 /nfs/dbraw/zinc/18/13/43/370181343.db2.gz MWTJKDNEIIHITQ-KRWDZBQOSA-N 1 0 296.418 3.109 50 0 CGAARO Cc1ccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)o1 ZINC000093442437 370130953 /nfs/dbraw/zinc/13/09/53/370130953.db2.gz GMSHORGBRBPJFL-MRXNPFEDSA-N 1 0 259.349 3.144 50 0 CGAARO Cc1cnc(CC[N@@H+](C)Cc2cnc(C3CC3)s2)s1 ZINC000093807381 370159935 /nfs/dbraw/zinc/15/99/35/370159935.db2.gz OJYGWCXEJLPWFG-UHFFFAOYSA-N 1 0 293.461 3.460 50 0 CGAARO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000097099527 370225098 /nfs/dbraw/zinc/22/50/98/370225098.db2.gz ZZNUUCIKATWNML-CVEARBPZSA-N 1 0 285.391 3.269 50 0 CGAARO Cc1nccn1CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000097468099 370242256 /nfs/dbraw/zinc/24/22/56/370242256.db2.gz ADUKPLSDRVAJGO-UHFFFAOYSA-N 1 0 299.418 3.199 50 0 CGAARO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000095420100 370188193 /nfs/dbraw/zinc/18/81/93/370188193.db2.gz SPDXGYWMTXDRQK-CYBMUJFWSA-N 1 0 286.375 3.340 50 0 CGAARO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2nncn2C2CC2)CC1 ZINC000095434009 370192691 /nfs/dbraw/zinc/19/26/91/370192691.db2.gz YPKFWYZOYDRZBI-KGLIPLIRSA-N 1 0 276.428 3.308 50 0 CGAARO CC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)C1CC1 ZINC000095453411 370197122 /nfs/dbraw/zinc/19/71/22/370197122.db2.gz GFCGTODNYWGSAW-MRXNPFEDSA-N 1 0 259.393 3.309 50 0 CGAARO CC(C)COC[C@H]([NH2+][C@H]1CCCSC1)c1ccco1 ZINC000095454552 370197358 /nfs/dbraw/zinc/19/73/58/370197358.db2.gz RMLLRVZJAFXWQO-KBPBESRZSA-N 1 0 283.437 3.479 50 0 CGAARO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1C(C)C ZINC000095513028 370200990 /nfs/dbraw/zinc/20/09/90/370200990.db2.gz NHJUXSJGRPQIEI-HNNXBMFYSA-N 1 0 289.423 3.286 50 0 CGAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+](C2CCCC2)CC3)cc1 ZINC000096165093 370207514 /nfs/dbraw/zinc/20/75/14/370207514.db2.gz MPRAZCAPQQKLSG-UHFFFAOYSA-N 1 0 297.402 3.386 50 0 CGAARO Cc1cc(C)n(CCC[NH2+]Cc2cccc(Cl)c2)n1 ZINC000098078538 370263870 /nfs/dbraw/zinc/26/38/70/370263870.db2.gz BNYUOAWVKOJRDU-UHFFFAOYSA-N 1 0 277.799 3.333 50 0 CGAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119054059 370638901 /nfs/dbraw/zinc/63/89/01/370638901.db2.gz MOPNOADIDKIPBU-IAGOWNOFSA-N 1 0 298.434 3.015 50 0 CGAARO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc2ccccc2o1 ZINC000151234479 371585793 /nfs/dbraw/zinc/58/57/93/371585793.db2.gz JGNTWLNSFUWWTM-UFBFGSQYSA-N 1 0 273.254 3.007 50 0 CGAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cc(=O)[nH]1 ZINC000426394531 372156011 /nfs/dbraw/zinc/15/60/11/372156011.db2.gz HIGKWRICZBGGFU-LBPRGKRZSA-N 1 0 283.375 3.314 50 0 CGAARO C[C@@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)[NH+](C)C ZINC000426445445 372159655 /nfs/dbraw/zinc/15/96/55/372159655.db2.gz FFBBODNNPKCIIZ-VIFPVBQESA-N 1 0 298.312 3.124 50 0 CGAARO CC(=O)c1c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cnn1C ZINC000426628302 372166191 /nfs/dbraw/zinc/16/61/91/372166191.db2.gz PCUILHFJVOZYFK-CYBMUJFWSA-N 1 0 297.402 3.447 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678061 372631148 /nfs/dbraw/zinc/63/11/48/372631148.db2.gz PJDZEFDKOJSNAL-DOTOQJQBSA-N 1 0 293.451 3.463 50 0 CGAARO Cc1ccc(C[NH+]2CCC(c3nncn3C(C)C)CC2)o1 ZINC000065287606 541888384 /nfs/dbraw/zinc/88/83/84/541888384.db2.gz BLEXRLLXRGRBAW-UHFFFAOYSA-N 1 0 288.395 3.140 50 0 CGAARO COC[C@H](C)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000299759593 373608760 /nfs/dbraw/zinc/60/87/60/373608760.db2.gz VAYMXLAOWARLAI-ZDUSSCGKSA-N 1 0 263.381 3.133 50 0 CGAARO CC1(COc2cccc(C[NH2+]C3CCCC3)c2)COC1 ZINC000299787306 373612239 /nfs/dbraw/zinc/61/22/39/373612239.db2.gz UIOVJPDMOFQQRE-UHFFFAOYSA-N 1 0 275.392 3.134 50 0 CGAARO O=C1NC(=O)[C@]2(CCC[C@@H]2C[NH2+]C2CCCCCCC2)N1 ZINC000328595656 374368731 /nfs/dbraw/zinc/36/87/31/374368731.db2.gz ZVORMGMLWQCCHT-MLGOLLRUSA-N 1 0 293.411 3.112 50 0 CGAARO C[C@H]([NH2+]Cc1nc2ccccc2s1)[C@H](C)n1cccn1 ZINC000084139659 541931805 /nfs/dbraw/zinc/93/18/05/541931805.db2.gz GCAQYPNSBNCLQV-RYUDHWBXSA-N 1 0 286.404 3.232 50 0 CGAARO Cc1c([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCO3)cnn1C ZINC000091967477 541970659 /nfs/dbraw/zinc/97/06/59/541970659.db2.gz ORLOQCSVMNCCMZ-QGZVFWFLSA-N 1 0 297.402 3.001 50 0 CGAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333501589 374603650 /nfs/dbraw/zinc/60/36/50/374603650.db2.gz CQMAVHFMKJFSRZ-XJFOESAGSA-N 1 0 250.386 3.272 50 0 CGAARO Cc1cnc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)s1 ZINC000189915896 375458825 /nfs/dbraw/zinc/45/88/25/375458825.db2.gz LTGYEMSTICXEDF-CYBMUJFWSA-N 1 0 298.415 3.488 50 0 CGAARO C[C@H]([NH2+]Cc1nc2ccccc2n1C1CC1)C1CC1 ZINC000191494575 375635518 /nfs/dbraw/zinc/63/55/18/375635518.db2.gz FHOVOIUDPHHDGW-NSHDSACASA-N 1 0 255.365 3.259 50 0 CGAARO C[C@@H]1CC([NH2+]Cc2sccc2Cl)C[C@@H](C)O1 ZINC000193199459 375838799 /nfs/dbraw/zinc/83/87/99/375838799.db2.gz JMVPNOZEBIXYQU-RKDXNWHRSA-N 1 0 259.802 3.447 50 0 CGAARO C=Cn1cc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cn1 ZINC000194412184 376001232 /nfs/dbraw/zinc/00/12/32/376001232.db2.gz FMYJMXDVRAXVIQ-OAHLLOKOSA-N 1 0 287.338 3.126 50 0 CGAARO CCN(Cc1ccccn1)Cc1c(F)c(F)ccc1OC ZINC000215654761 376149647 /nfs/dbraw/zinc/14/96/47/376149647.db2.gz JJOZGYIUDLMIQK-UHFFFAOYSA-N 1 0 292.329 3.391 50 0 CGAARO CC(=O)NCc1ccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nc1 ZINC000215923313 376153660 /nfs/dbraw/zinc/15/36/60/376153660.db2.gz XWNXTDUZWUJMEY-CYBMUJFWSA-N 1 0 297.402 3.007 50 0 CGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1ccsc1 ZINC000216193504 376160635 /nfs/dbraw/zinc/16/06/35/376160635.db2.gz RAHCCCIEUJKJST-UHFFFAOYSA-N 1 0 263.410 3.153 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN(C)C1CC1 ZINC000229738433 376469609 /nfs/dbraw/zinc/46/96/09/376469609.db2.gz GUCKYZIBEVGEGT-YUELXQCFSA-N 1 0 267.413 3.085 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@@H](CCO)C(C)(C)C)ccc2n1 ZINC000231076006 376553035 /nfs/dbraw/zinc/55/30/35/376553035.db2.gz NAYOGJVHJOWUPR-KRWDZBQOSA-N 1 0 286.419 3.430 50 0 CGAARO CCc1nc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cs1 ZINC000241588359 376778626 /nfs/dbraw/zinc/77/86/26/376778626.db2.gz PCJBNPGJYDJOQF-YNZJMPHRSA-N 1 0 288.416 3.014 50 0 CGAARO COc1ccc(Cl)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000241961276 376781298 /nfs/dbraw/zinc/78/12/98/376781298.db2.gz UQYAGKNGQSNHEO-HNNXBMFYSA-N 1 0 294.826 3.019 50 0 CGAARO Cc1ccc([C@@H]2CCC[N@@H+]2CCc2cccnc2)o1 ZINC000242273735 376781658 /nfs/dbraw/zinc/78/16/58/376781658.db2.gz YFNLAGSKNXOMNQ-HNNXBMFYSA-N 1 0 256.349 3.363 50 0 CGAARO c1cc(C[NH2+]C2CCC(c3ccccc3)CC2)no1 ZINC000148704235 542098324 /nfs/dbraw/zinc/09/83/24/542098324.db2.gz RFVONCXBOUVQSG-UHFFFAOYSA-N 1 0 256.349 3.491 50 0 CGAARO CCn1ccc(C[N@@H+](Cc2ccccc2)CC2CC2)n1 ZINC000244673729 376793669 /nfs/dbraw/zinc/79/36/69/376793669.db2.gz HUNBLWSANYBXPP-UHFFFAOYSA-N 1 0 269.392 3.315 50 0 CGAARO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000249753485 377528851 /nfs/dbraw/zinc/52/88/51/377528851.db2.gz FLUOIMYXPSUFKP-IUODEOHRSA-N 1 0 271.364 3.319 50 0 CGAARO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cccs2)cc1 ZINC000253416454 377692011 /nfs/dbraw/zinc/69/20/11/377692011.db2.gz DOIMPAVXGWRFRV-MRXNPFEDSA-N 1 0 290.432 3.149 50 0 CGAARO CC[C@H](C[N@H+](C)CCc1cnccn1)c1ccccc1 ZINC000253419958 377692215 /nfs/dbraw/zinc/69/22/15/377692215.db2.gz SZBJTBCPVQLLCH-OAHLLOKOSA-N 1 0 269.392 3.145 50 0 CGAARO Cn1cc([C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)cn1 ZINC000255839025 377780699 /nfs/dbraw/zinc/78/06/99/377780699.db2.gz DUKJZPWCENJNAN-MPNWYJEXSA-N 1 0 285.366 3.062 50 0 CGAARO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)c1F ZINC000192679660 542268549 /nfs/dbraw/zinc/26/85/49/542268549.db2.gz MTCHIXIZRVPTSO-LBPRGKRZSA-N 1 0 289.350 3.261 50 0 CGAARO Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CC[NH3+] ZINC000000034571 169511417 /nfs/dbraw/zinc/51/14/17/169511417.db2.gz SMPFSOJTFREGHD-UHFFFAOYSA-N 1 0 274.698 3.145 50 0 CGAARO Cc1cc(C)[n+]2c3ccc(Br)cc3sc2n1 ZINC000000391778 169627693 /nfs/dbraw/zinc/62/76/93/169627693.db2.gz LLKRHGBBQCFNIQ-UHFFFAOYSA-N 1 0 294.197 3.414 50 0 CGAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](OC)C1 ZINC000353894664 220392746 /nfs/dbraw/zinc/39/27/46/220392746.db2.gz DYNHJSXOATZYCS-LBPRGKRZSA-N 1 0 259.349 3.216 50 0 CGAARO C[C@@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+]1CCCC1 ZINC000096165017 256886575 /nfs/dbraw/zinc/88/65/75/256886575.db2.gz UBEIMHBWTFEYPU-AWEZNQCLSA-N 1 0 296.418 3.366 50 0 CGAARO Cc1noc(C2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 ZINC000053639221 392086024 /nfs/dbraw/zinc/08/60/24/392086024.db2.gz ZKOPOQUIKABZSI-LLVKDONJSA-N 1 0 289.354 3.458 50 0 CGAARO Cn1cc(C[N@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)C2CC2)cn1 ZINC000065531310 392148330 /nfs/dbraw/zinc/14/83/30/392148330.db2.gz KKGCNCDTGSUULV-RDJZCZTQSA-N 1 0 285.435 3.377 50 0 CGAARO CC(C)(C)c1nccn1C[C@H]1COc2ccccc2O1 ZINC000071738740 392192191 /nfs/dbraw/zinc/19/21/91/392192191.db2.gz AWIGFQGDGNNTPL-LBPRGKRZSA-N 1 0 272.348 3.021 50 0 CGAARO FC1(F)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095518170 392244043 /nfs/dbraw/zinc/24/40/43/392244043.db2.gz ZIRNFGZRKHOESK-CYBMUJFWSA-N 1 0 281.346 3.359 50 0 CGAARO CCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccccc2)no1 ZINC000361794810 392323084 /nfs/dbraw/zinc/32/30/84/392323084.db2.gz BYDJOKDISHEDPV-CQSZACIVSA-N 1 0 271.364 3.207 50 0 CGAARO CCc1cccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193993298 392894160 /nfs/dbraw/zinc/89/41/60/392894160.db2.gz SWNCFSOBGKLSTI-MRXNPFEDSA-N 1 0 299.418 3.231 50 0 CGAARO C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)s3)C[C@@H]2C1 ZINC000215582053 392987302 /nfs/dbraw/zinc/98/73/02/392987302.db2.gz HNYIYOGFARSVTC-IYBDPMFKSA-N 1 0 298.455 3.409 50 0 CGAARO C[N@H+](CCCn1cccn1)Cc1ccc(C(F)(F)F)cc1 ZINC000215477256 392987864 /nfs/dbraw/zinc/98/78/64/392987864.db2.gz OGUHTLIPXXIHLZ-UHFFFAOYSA-N 1 0 297.324 3.424 50 0 CGAARO Cc1ccc([C@H](C)CC[N@H+](C)CCn2ccnc2C)o1 ZINC000215267217 392987991 /nfs/dbraw/zinc/98/79/91/392987991.db2.gz WUPFLTVCRRTQRO-CYBMUJFWSA-N 1 0 275.396 3.219 50 0 CGAARO Cc1cc(C)cc(N2CC[NH+](CC[C@H]3CC3(F)F)CC2)c1 ZINC000670452490 543155732 /nfs/dbraw/zinc/15/57/32/543155732.db2.gz WDDPVHWSJKZBHT-HNNXBMFYSA-N 1 0 294.389 3.471 50 0 CGAARO CCc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)nc1 ZINC000670447963 543155797 /nfs/dbraw/zinc/15/57/97/543155797.db2.gz TXZJYTLFMBADLE-UHFFFAOYSA-N 1 0 297.402 3.082 50 0 CGAARO Clc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000670464049 543156290 /nfs/dbraw/zinc/15/62/90/543156290.db2.gz ITEUCDUUHNQBTK-JTQLQIEISA-N 1 0 265.744 3.036 50 0 CGAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C/C=C\c2ccccc2)n1 ZINC000104065927 397649524 /nfs/dbraw/zinc/64/95/24/397649524.db2.gz PNJVWDDKLDQGLA-OEPRFQHASA-N 1 0 296.418 3.073 50 0 CGAARO c1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000104189346 397650095 /nfs/dbraw/zinc/65/00/95/397650095.db2.gz QIQTZQUNTCLJAN-OAHLLOKOSA-N 1 0 253.345 3.343 50 0 CGAARO CCCOc1ccc(NC(=O)C2([NH3+])CCCC2)cc1Cl ZINC000037768672 397608509 /nfs/dbraw/zinc/60/85/09/397608509.db2.gz IMKZHYJXITXLQX-UHFFFAOYSA-N 1 0 296.798 3.339 50 0 CGAARO C[NH+](C)Cc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000045030514 397621311 /nfs/dbraw/zinc/62/13/11/397621311.db2.gz NERCDCHXKILMMO-UHFFFAOYSA-N 1 0 269.348 3.392 50 0 CGAARO c1cc(C2CC[NH+](Cc3nc4ccccc4s3)CC2)n[nH]1 ZINC000058208446 397637061 /nfs/dbraw/zinc/63/70/61/397637061.db2.gz WOEAWRWATPANIN-UHFFFAOYSA-N 1 0 298.415 3.399 50 0 CGAARO Cc1ccc(N2C(=O)[C@@H](C[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000005541430 292127555 /nfs/dbraw/zinc/12/75/55/292127555.db2.gz OELCSXWFUBZJLT-ZWKOTPCHSA-N 1 0 294.398 3.261 50 0 CGAARO Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387629 287116011 /nfs/dbraw/zinc/11/60/11/287116011.db2.gz XDFSFNIDOISQPJ-QGZVFWFLSA-N 1 0 271.360 3.070 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1C ZINC000004834245 170026444 /nfs/dbraw/zinc/02/64/44/170026444.db2.gz ZMSSXDRNWULHRN-KRWDZBQOSA-N 1 0 291.435 3.308 50 0 CGAARO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000004988274 170049435 /nfs/dbraw/zinc/04/94/35/170049435.db2.gz KWIUJYAGEIAGRS-UHFFFAOYSA-N 1 0 280.799 3.463 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c2ccccc12 ZINC000005526798 170108601 /nfs/dbraw/zinc/10/86/01/170108601.db2.gz KQFNLCMGBYCEDA-AWEZNQCLSA-N 1 0 285.387 3.053 50 0 CGAARO C[NH+](C)CCNc1cc(-c2ccccn2)nc2ccccc21 ZINC000005569554 170114739 /nfs/dbraw/zinc/11/47/39/170114739.db2.gz PJDXPFLGVYXGMU-UHFFFAOYSA-N 1 0 292.386 3.270 50 0 CGAARO C[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000005910022 170153505 /nfs/dbraw/zinc/15/35/05/170153505.db2.gz GUASWIWYQIUSSB-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000006189788 170181618 /nfs/dbraw/zinc/18/16/18/170181618.db2.gz UWRMQWQDVRQUTR-UHFFFAOYSA-N 1 0 291.435 3.431 50 0 CGAARO CCOCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007524211 170288874 /nfs/dbraw/zinc/28/88/74/170288874.db2.gz BWIDEMHCZBZAQL-UHFFFAOYSA-N 1 0 259.349 3.463 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000008130668 170320009 /nfs/dbraw/zinc/32/00/09/170320009.db2.gz VZYBLMZQDZRTBS-UHFFFAOYSA-N 1 0 286.828 3.006 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008700892 170346699 /nfs/dbraw/zinc/34/66/99/170346699.db2.gz STVDQGCZRYZCTO-UHFFFAOYSA-N 1 0 276.767 3.498 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008700872 170346757 /nfs/dbraw/zinc/34/67/57/170346757.db2.gz HEGSXMGEJCEBNT-UHFFFAOYSA-N 1 0 258.365 3.399 50 0 CGAARO c1coc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)c1 ZINC000013731657 170583092 /nfs/dbraw/zinc/58/30/92/170583092.db2.gz VMGJLUMWVSTAMG-UHFFFAOYSA-N 1 0 281.315 3.152 50 0 CGAARO CCCCc1ccc(C(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000016602318 170704000 /nfs/dbraw/zinc/70/40/00/170704000.db2.gz HDFPHPVKLYFZCZ-UHFFFAOYSA-N 1 0 288.435 3.197 50 0 CGAARO CCOc1ccc(C[NH2+]CCCOCC(C)C)cc1 ZINC000020147156 171033588 /nfs/dbraw/zinc/03/35/88/171033588.db2.gz WPYGOGQYGQBWBV-UHFFFAOYSA-N 1 0 265.397 3.238 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1O ZINC000020203969 171069700 /nfs/dbraw/zinc/06/97/00/171069700.db2.gz ACOBVNAKWUEAHS-ZDUSSCGKSA-N 1 0 273.332 3.161 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)CC2CC2)ccc1Cl ZINC000020388355 171177296 /nfs/dbraw/zinc/17/72/96/171177296.db2.gz DTVSXZBIZMYVOZ-TZMCWYRMSA-N 1 0 297.826 3.166 50 0 CGAARO COc1ccccc1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000023282394 171418695 /nfs/dbraw/zinc/41/86/95/171418695.db2.gz LDMNJIAEGYBMMB-GOSISDBHSA-N 1 0 281.399 3.385 50 0 CGAARO CC(C)[NH+]1CCC(N(C)c2ncnc3sccc32)CC1 ZINC000024208250 171432840 /nfs/dbraw/zinc/43/28/40/171432840.db2.gz VLHINYHXGHLJKQ-UHFFFAOYSA-N 1 0 290.436 3.000 50 0 CGAARO CCn1c2ccccc2c2cc(C[NH2+]CCCO)ccc21 ZINC000035161281 172020700 /nfs/dbraw/zinc/02/07/00/172020700.db2.gz GPWFRQKIXROWKY-UHFFFAOYSA-N 1 0 282.387 3.286 50 0 CGAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000035511266 172242151 /nfs/dbraw/zinc/24/21/51/172242151.db2.gz RCWZTLQXVBCRIG-OAHLLOKOSA-N 1 0 272.348 3.280 50 0 CGAARO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000035736807 172389793 /nfs/dbraw/zinc/38/97/93/172389793.db2.gz CRHCNUFSDTWGJL-DGCLKSJQSA-N 1 0 274.389 3.015 50 0 CGAARO O=C(C[NH2+]Cc1cccs1)Nc1cccc(Cl)c1 ZINC000037466995 173226902 /nfs/dbraw/zinc/22/69/02/173226902.db2.gz YANRFCZHDCLAKT-UHFFFAOYSA-N 1 0 280.780 3.130 50 0 CGAARO Cc1nc(C[NH2+][C@H]2CCc3ccccc3C2)cs1 ZINC000040418840 174257030 /nfs/dbraw/zinc/25/70/30/174257030.db2.gz URHBBIHCIGFIMQ-AWEZNQCLSA-N 1 0 258.390 3.099 50 0 CGAARO C[C@@H](Oc1ccccc1C1CCCC1)C1=[NH+]CCN1 ZINC000040430700 174259905 /nfs/dbraw/zinc/25/99/05/174259905.db2.gz WIQCERUTOBWUOL-GFCCVEGCSA-N 1 0 258.365 3.113 50 0 CGAARO Brc1ccc(CCC[NH2+]C2CC2)cc1 ZINC000041324129 174520719 /nfs/dbraw/zinc/52/07/19/174520719.db2.gz DXLIPRPVKDZRFU-UHFFFAOYSA-N 1 0 254.171 3.134 50 0 CGAARO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000041486292 174561194 /nfs/dbraw/zinc/56/11/94/174561194.db2.gz MJPIXZNEBBDSIO-MRXNPFEDSA-N 1 0 296.370 3.276 50 0 CGAARO Clc1ccc(OCC2CC[NH2+]CC2)c2ncccc12 ZINC000042775735 174874381 /nfs/dbraw/zinc/87/43/81/174874381.db2.gz CGSOERZIHFRWQY-UHFFFAOYSA-N 1 0 276.767 3.267 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000044791136 175254356 /nfs/dbraw/zinc/25/43/56/175254356.db2.gz QNWSHQFEYPPQBN-LBPRGKRZSA-N 1 0 296.436 3.237 50 0 CGAARO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000046054577 175391421 /nfs/dbraw/zinc/39/14/21/175391421.db2.gz WNAJESNRSHUEAY-DGCLKSJQSA-N 1 0 261.369 3.102 50 0 CGAARO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046089133 175392642 /nfs/dbraw/zinc/39/26/42/175392642.db2.gz HPZAWGQRFNSPDC-OAHLLOKOSA-N 1 0 286.400 3.184 50 0 CGAARO CC(C)=C[C@@H]1[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1(C)C ZINC000065522795 175746462 /nfs/dbraw/zinc/74/64/62/175746462.db2.gz MAKIAOUYPWNPJN-CABCVRRESA-N 1 0 292.467 3.215 50 0 CGAARO [NH3+][C@H](COc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000069085077 175818408 /nfs/dbraw/zinc/81/84/08/175818408.db2.gz TYSKJAOBHIAYED-QGZVFWFLSA-N 1 0 253.345 3.470 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000071212413 176084449 /nfs/dbraw/zinc/08/44/49/176084449.db2.gz ZAOHJTFVQJYAOX-JTQLQIEISA-N 1 0 290.388 3.074 50 0 CGAARO CN(Cc1cccs1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400432 176152542 /nfs/dbraw/zinc/15/25/42/176152542.db2.gz AFECFGDJWZGBEG-OAHLLOKOSA-N 1 0 288.416 3.187 50 0 CGAARO c1cn(Cc2ccc(-c3cccc4c3CC[NH2+]C4)cc2)cn1 ZINC000071439796 176169847 /nfs/dbraw/zinc/16/98/47/176169847.db2.gz OMPIKKOJQYPMIY-UHFFFAOYSA-N 1 0 289.382 3.244 50 0 CGAARO Cc1ccc(F)c(C[NH+]2CC(c3ccncc3)C2)c1 ZINC000072156534 176328567 /nfs/dbraw/zinc/32/85/67/176328567.db2.gz OWTUQJKFRHZDSD-UHFFFAOYSA-N 1 0 256.324 3.129 50 0 CGAARO C[N@@H+](Cc1csc(-c2ccccc2)n1)C[C@H]1CCOC1 ZINC000072164427 176331008 /nfs/dbraw/zinc/33/10/08/176331008.db2.gz OEWRVZNFJRQFSY-CYBMUJFWSA-N 1 0 288.416 3.278 50 0 CGAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccnc3ccccc23)C1 ZINC000072167435 176331800 /nfs/dbraw/zinc/33/18/00/176331800.db2.gz JPIQRWVZXGDMEP-HNNXBMFYSA-N 1 0 295.430 3.293 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000072311044 176367713 /nfs/dbraw/zinc/36/77/13/176367713.db2.gz JFUCAKNRRLIWAK-FRRDWIJNSA-N 1 0 295.427 3.472 50 0 CGAARO CCC[N@H+](C)C[C@H]1CCN(c2cccc(F)c2C(C)=O)C1 ZINC000078562795 177354726 /nfs/dbraw/zinc/35/47/26/177354726.db2.gz AIZYKKNMLKQZIL-CQSZACIVSA-N 1 0 292.398 3.196 50 0 CGAARO Cc1csc2nc(C)c(C[NH2+]CCc3ccsc3)n12 ZINC000048355047 416449460 /nfs/dbraw/zinc/44/94/60/416449460.db2.gz AZXUJPBUORUOOO-UHFFFAOYSA-N 1 0 291.445 3.406 50 0 CGAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(F)cc2)cn1 ZINC000048782251 416459376 /nfs/dbraw/zinc/45/93/76/416459376.db2.gz LCPDWFGMOMULBD-UHFFFAOYSA-N 1 0 296.349 3.005 50 0 CGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529530320 270182837 /nfs/dbraw/zinc/18/28/37/270182837.db2.gz CZQQQWBORZFEGD-LLVKDONJSA-N 1 0 293.361 3.368 50 0 CGAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000065382556 274231675 /nfs/dbraw/zinc/23/16/75/274231675.db2.gz GBYUCTNYSUYQPC-AWEZNQCLSA-N 1 0 294.402 3.031 50 0 CGAARO Cc1cc(OC2C[NH2+]C2)c(Br)c(C)c1Cl ZINC000042769539 274720976 /nfs/dbraw/zinc/72/09/76/274720976.db2.gz UCATXYVMOLAKOC-UHFFFAOYSA-N 1 0 290.588 3.070 50 0 CGAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4CCCCO4)C3)nc2c1 ZINC000019742163 275068953 /nfs/dbraw/zinc/06/89/53/275068953.db2.gz RXVGRERLHAGWCA-CABCVRRESA-N 1 0 299.418 3.311 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008582853 276109883 /nfs/dbraw/zinc/10/98/83/276109883.db2.gz WRSKNUYXRBOUGS-UHFFFAOYSA-N 1 0 274.364 3.099 50 0 CGAARO CCN1CCC[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000043053791 276176080 /nfs/dbraw/zinc/17/60/80/276176080.db2.gz JODIUSQJXNIDLQ-IRXDYDNUSA-N 1 0 264.457 3.373 50 0 CGAARO CCOc1c(C[NH2+]C[C@H]2CCCO2)cc(Cl)cc1OC ZINC000010474434 276367698 /nfs/dbraw/zinc/36/76/98/276367698.db2.gz DIQFSTTUSXLNCE-CYBMUJFWSA-N 1 0 299.798 3.016 50 0 CGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccccc1 ZINC000019798373 277432534 /nfs/dbraw/zinc/43/25/34/277432534.db2.gz VGWBMVBBCGVTFI-QGZVFWFLSA-N 1 0 278.355 3.412 50 0 CGAARO COC1(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)CCOCC1 ZINC000090652611 277470062 /nfs/dbraw/zinc/47/00/62/277470062.db2.gz LUXOVOWBFGTIOH-HOCLYGCPSA-N 1 0 289.419 3.329 50 0 CGAARO CC(C)c1ccc([C@H](C)[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000097086027 278047530 /nfs/dbraw/zinc/04/75/30/278047530.db2.gz NQGOKIWDIAXPMM-ZDUSSCGKSA-N 1 0 289.423 3.004 50 0 CGAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000006493028 278302280 /nfs/dbraw/zinc/30/22/80/278302280.db2.gz FJNAGZZHYAYLCT-HWOWSKLDSA-N 1 0 283.456 3.065 50 0 CGAARO CCn1nncc1C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000459541573 288095924 /nfs/dbraw/zinc/09/59/24/288095924.db2.gz WTZQBIWFCIEOQJ-GFCCVEGCSA-N 1 0 298.365 3.441 50 0 CGAARO Cc1c([C@H](C)[NH3+])cnn1-c1cccc2ccccc21 ZINC000091829271 280254022 /nfs/dbraw/zinc/25/40/22/280254022.db2.gz BHFGQQDSCBQVKA-NSHDSACASA-N 1 0 251.333 3.354 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828170 293099842 /nfs/dbraw/zinc/09/98/42/293099842.db2.gz WXADSKXFHYXCKH-SJLPKXTDSA-N 1 0 299.418 3.284 50 0 CGAARO Cc1nccn1C[C@@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534584223 328311859 /nfs/dbraw/zinc/31/18/59/328311859.db2.gz JHKDEXZVNAGUGM-OAHLLOKOSA-N 1 0 283.419 3.253 50 0 CGAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)CCC(F)(F)F ZINC000534649865 328336336 /nfs/dbraw/zinc/33/63/36/328336336.db2.gz GZQBPGHJQXTGHB-UHFFFAOYSA-N 1 0 294.361 3.100 50 0 CGAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000195571217 336056502 /nfs/dbraw/zinc/05/65/02/336056502.db2.gz ZULUJPYGZKRKET-CHWSQXEVSA-N 1 0 254.399 3.137 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](O)c1ccsc1 ZINC000096478111 534136729 /nfs/dbraw/zinc/13/67/29/534136729.db2.gz VMMNHPOWMGAZGR-ZYHUDNBSSA-N 1 0 273.467 3.291 50 0 CGAARO Cc1noc(C)c1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000096479197 534339452 /nfs/dbraw/zinc/33/94/52/534339452.db2.gz DQQDSHMGZSVECT-CQSZACIVSA-N 1 0 280.412 3.160 50 0 CGAARO Clc1cccc(N2CC[C@@H]([NH2+]Cc3ccncc3)C2)c1 ZINC000096456843 534643828 /nfs/dbraw/zinc/64/38/28/534643828.db2.gz QKVDQZGUYXSKID-OAHLLOKOSA-N 1 0 287.794 3.104 50 0 CGAARO CCc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000019871932 523943019 /nfs/dbraw/zinc/94/30/19/523943019.db2.gz RVPGAQKKCJHKJX-QGZVFWFLSA-N 1 0 255.361 3.072 50 0 CGAARO O=C(/C=C/c1ccco1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004061242 534779410 /nfs/dbraw/zinc/77/94/10/534779410.db2.gz NXLHVPKRTYHUOA-FNHJVCLDSA-N 1 0 289.375 3.101 50 0 biogenic CGAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000012302421 525902457 /nfs/dbraw/zinc/90/24/57/525902457.db2.gz UJATVKKRWIQFRV-INIZCTEOSA-N 1 0 299.418 3.263 50 0 CGAARO C(=C/c1ccco1)\C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000096485874 527467341 /nfs/dbraw/zinc/46/73/41/527467341.db2.gz WTYXUARGCFYTMV-BOTMBNHJSA-N 1 0 269.344 3.134 50 0 CGAARO CCC(=O)c1ccccc1OCC[NH2+]C1CCCC1 ZINC000002845422 528481688 /nfs/dbraw/zinc/48/16/88/528481688.db2.gz XQWFGXPAXUELAJ-UHFFFAOYSA-N 1 0 261.365 3.190 50 0 CGAARO c1cn(C[C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)cn1 ZINC000020351033 618977272 /nfs/dbraw/zinc/97/72/72/618977272.db2.gz RCMMMZPAVIGHMH-MRXNPFEDSA-N 1 0 294.402 3.277 50 0 CGAARO C[C@@H](C[C@H](C)SC1CCCC1)[NH2+]CCn1ccnc1 ZINC000888098162 619260005 /nfs/dbraw/zinc/26/00/05/619260005.db2.gz CBSLIQLVFRXLFQ-KBPBESRZSA-N 1 0 281.469 3.316 50 0 CGAARO COCc1cccc(C[NH2+][C@@H](C)c2cnc(C)s2)c1 ZINC000090402990 623604508 /nfs/dbraw/zinc/60/45/08/623604508.db2.gz NLERRNYTUMTKRC-NSHDSACASA-N 1 0 276.405 3.449 50 0 CGAARO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000184233703 625214267 /nfs/dbraw/zinc/21/42/67/625214267.db2.gz ZBUVMLBJLONKOB-GFCCVEGCSA-N 1 0 266.410 3.002 50 0 CGAARO Cc1c[n+]2ccc(C)cc2n1Cc1cccc(F)c1 ZINC000000281311 640921443 /nfs/dbraw/zinc/92/14/43/640921443.db2.gz NDHRTPFBRMANPA-UHFFFAOYSA-N 1 0 255.316 3.031 50 0 CGAARO Cc1cccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000016662531 641015700 /nfs/dbraw/zinc/01/57/00/641015700.db2.gz VWZYVUSISCBLJJ-SJORKVTESA-N 1 0 287.403 3.416 50 0 CGAARO CC[NH+]1CCN(c2cc(C)c3cc(Cl)ccc3n2)CC1 ZINC000023550187 798838701 /nfs/dbraw/zinc/83/87/01/798838701.db2.gz YEGBDCUTFOJCEM-UHFFFAOYSA-N 1 0 289.810 3.339 50 0 CGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000023375402 798838939 /nfs/dbraw/zinc/83/89/39/798838939.db2.gz FEPXUJFRCBBZJA-IBGZPJMESA-N 1 0 295.430 3.178 50 0 CGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000065382558 798907826 /nfs/dbraw/zinc/90/78/26/798907826.db2.gz GBYUCTNYSUYQPC-CQSZACIVSA-N 1 0 294.402 3.031 50 0 CGAARO c1ccc(CN2C[C@H]3CC[N@@H+](C4CCCC4)C[C@H]32)cc1 ZINC000581798048 799674360 /nfs/dbraw/zinc/67/43/60/799674360.db2.gz FHXQCKBRGWGNGT-SJLPKXTDSA-N 1 0 270.420 3.135 50 0 CGAARO CC(C)(O)[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000721872395 800302683 /nfs/dbraw/zinc/30/26/83/800302683.db2.gz HJXWNLGCGDVNGA-MRXNPFEDSA-N 1 0 261.409 3.102 50 0 CGAARO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000952846252 800684787 /nfs/dbraw/zinc/68/47/87/800684787.db2.gz RSMVYEJVNGFRQA-OAHLLOKOSA-N 1 0 260.381 3.055 50 0 CGAARO CN1CCCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000952876107 800685619 /nfs/dbraw/zinc/68/56/19/800685619.db2.gz ZHZPDLOJUPDFFT-LBPRGKRZSA-N 1 0 279.290 3.172 50 0 CGAARO COCC1(C[NH2+][C@H](C)CN2CCCCCC2)CCCC1 ZINC001506405512 937989582 /nfs/dbraw/zinc/98/95/82/937989582.db2.gz JMORXFIBUXXMBO-MRXNPFEDSA-N 1 0 282.472 3.047 50 0 CGAARO Cc1cc(C)nc(C[NH2+][C@H]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC001506403494 937989718 /nfs/dbraw/zinc/98/97/18/937989718.db2.gz SJVHOVATERTOOT-RRLIJXGGSA-N 1 0 285.435 3.398 50 0 CGAARO COCC1(C[NH2+]Cc2ccc(C)c3ncccc23)CCC1 ZINC001506428499 937990194 /nfs/dbraw/zinc/99/01/94/937990194.db2.gz QRNIYHQUVGLXIG-UHFFFAOYSA-N 1 0 284.403 3.450 50 0 CGAARO Cc1ccccc1[C@H]1CC[N@H+](CCNCc2ccco2)C1 ZINC001506427665 937990195 /nfs/dbraw/zinc/99/01/95/937990195.db2.gz RSKDPXCDJITNMG-INIZCTEOSA-N 1 0 284.403 3.167 50 0 CGAARO CCc1ccc(OCC[N@@H+](CC)Cc2cnc(C)cn2)cc1 ZINC001529182749 938071588 /nfs/dbraw/zinc/07/15/88/938071588.db2.gz ZHJWERPYTHNVNH-UHFFFAOYSA-N 1 0 299.418 3.248 50 0 CGAARO Cc1nnc(N(C)CC[C@H](C)[NH+]2CCCC2)c2ccccc12 ZINC001529195924 938071677 /nfs/dbraw/zinc/07/16/77/938071677.db2.gz QUVYURJVJKZIJI-AWEZNQCLSA-N 1 0 298.434 3.249 50 0 CGAARO CCn1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)cn1 ZINC000096456821 230377630 /nfs/dbraw/zinc/37/76/30/230377630.db2.gz RGQDIIRDWZXINF-YVEFUNNKSA-N 1 0 287.382 3.455 50 0 CGAARO C[C@H](C[NH2+]C[C@@](C)(O)c1ccco1)c1ccc(F)cc1 ZINC000096494085 230383642 /nfs/dbraw/zinc/38/36/42/230383642.db2.gz JYZNLVDUMZTBML-MLGOLLRUSA-N 1 0 277.339 3.020 50 0 CGAARO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000002845177 230367570 /nfs/dbraw/zinc/36/75/70/230367570.db2.gz MPRONTYUTNVFNX-GRDNDAEWSA-N 1 0 277.408 3.488 50 0 CGAARO C[N@@H+](Cc1ccc(Cl)c(F)c1)CC1CCOCC1 ZINC000127622073 187321336 /nfs/dbraw/zinc/32/13/36/187321336.db2.gz ARFLRCQMZBBZHY-UHFFFAOYSA-N 1 0 271.763 3.338 50 0 CGAARO C[NH2+][C@@H](COc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000095627547 185016937 /nfs/dbraw/zinc/01/69/37/185016937.db2.gz GIPHGARBJRUKSM-LBPRGKRZSA-N 1 0 260.164 3.370 50 0 CGAARO Cc1cc(NC(=O)[C@H]([NH2+][C@H](C)C2CC2)c2ccccc2)no1 ZINC000095946727 185038068 /nfs/dbraw/zinc/03/80/68/185038068.db2.gz YQNVPTUHWQTLPX-MLGOLLRUSA-N 1 0 299.374 3.051 50 0 CGAARO Cc1[nH]c2ccc(C[NH2+]Cc3cnn(C)c3C)cc2c1C ZINC000095975138 185050726 /nfs/dbraw/zinc/05/07/26/185050726.db2.gz ODBAGPUNPKKRFA-UHFFFAOYSA-N 1 0 282.391 3.116 50 0 CGAARO CC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000095986490 185055834 /nfs/dbraw/zinc/05/58/34/185055834.db2.gz CECVAFUPTLAMKU-RDJZCZTQSA-N 1 0 290.407 3.030 50 0 CGAARO O=C(CCc1cccc(F)c1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000097019653 185152450 /nfs/dbraw/zinc/15/24/50/185152450.db2.gz XEDHILOZEKBYOA-UHFFFAOYSA-N 1 0 298.361 3.043 50 0 CGAARO Cc1nccn1CCC[NH2+]C1(c2ccccc2)CCC1 ZINC000097022693 185153794 /nfs/dbraw/zinc/15/37/94/185153794.db2.gz FRGSQVZVDHDRST-UHFFFAOYSA-N 1 0 269.392 3.251 50 0 CGAARO Cc1nnc(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)o1 ZINC000071915689 282315563 /nfs/dbraw/zinc/31/55/63/282315563.db2.gz IYQYYFKQYKNWLU-GXTWGEPZSA-N 1 0 271.364 3.064 50 0 CGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CO)c2ccccc12 ZINC000000757366 344855757 /nfs/dbraw/zinc/85/57/57/344855757.db2.gz DOXPAVFHYLVJSZ-HNNXBMFYSA-N 1 0 285.387 3.195 50 0 CGAARO [NH3+]CCCCCCCCNC(=O)OCc1ccccc1 ZINC000002389763 344857458 /nfs/dbraw/zinc/85/74/58/344857458.db2.gz XUPJSKSDZXQOJN-UHFFFAOYSA-N 1 0 278.396 3.212 50 0 CGAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2cccs2)N1O ZINC000015768207 344885672 /nfs/dbraw/zinc/88/56/72/344885672.db2.gz KGTAFXKBQLSUQB-IAQYHMDHSA-N 1 0 288.372 3.014 50 0 CGAARO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000033641196 344935852 /nfs/dbraw/zinc/93/58/52/344935852.db2.gz YKOCMDWBEFLPCK-KRWDZBQOSA-N 1 0 273.351 3.493 50 0 CGAARO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000170080301 346193385 /nfs/dbraw/zinc/19/33/85/346193385.db2.gz YSAJLKRVWAIHRD-ZMDDKVTMSA-N 1 0 291.819 3.287 50 0 CGAARO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1O ZINC000194992239 346272109 /nfs/dbraw/zinc/27/21/09/346272109.db2.gz JGRMUGFLDRYDSS-CZUORRHYSA-N 1 0 298.386 3.379 50 0 CGAARO Cc1ccc(C[n+]2cnn(Cc3ccc(Cl)cc3)c2)cc1 ZINC000230519330 346321479 /nfs/dbraw/zinc/32/14/79/346321479.db2.gz SMUKJQKXWSGXRU-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO Cc1sc(C)c([C@@H]2C=CNC=[NH+]2)c1Br ZINC000000480760 282477043 /nfs/dbraw/zinc/47/70/43/282477043.db2.gz OWUQSWALHFJKCS-QMMMGPOBSA-N 1 0 271.183 3.314 50 0 CGAARO [NH3+]Cc1c(Cl)cc(Br)cc1Cl ZINC000300850730 346438136 /nfs/dbraw/zinc/43/81/36/346438136.db2.gz HBJOYPGWKVTKEO-UHFFFAOYSA-N 1 0 254.942 3.215 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cc[nH]c(=O)c1 ZINC000339459354 215187563 /nfs/dbraw/zinc/18/75/63/215187563.db2.gz MUTHSKGRUSJCRA-QMMMGPOBSA-N 1 0 268.769 3.353 50 0 CGAARO CC(C)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617341550 348949625 /nfs/dbraw/zinc/94/96/25/348949625.db2.gz SZIPRPNHQFGRCL-MRXNPFEDSA-N 1 0 288.435 3.413 50 0 CGAARO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090725146 180032760 /nfs/dbraw/zinc/03/27/60/180032760.db2.gz LPZABJUGJJYHJE-QWHCGFSZSA-N 1 0 292.448 3.216 50 0 CGAARO C=Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)cc1 ZINC000091643809 180214357 /nfs/dbraw/zinc/21/43/57/180214357.db2.gz DQXIDZSMKOAKFV-UHFFFAOYSA-N 1 0 298.430 3.164 50 0 CGAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1csc(C)n1 ZINC000110642608 186308632 /nfs/dbraw/zinc/30/86/32/186308632.db2.gz USSBERFJUZAGOK-VXGBXAGGSA-N 1 0 256.440 3.167 50 0 CGAARO C[C@@H](CCc1ccco1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000271476124 191160587 /nfs/dbraw/zinc/16/05/87/191160587.db2.gz MPOXFVOQCGDZGW-BLLLJJGKSA-N 1 0 277.339 3.063 50 0 CGAARO FC1(F)CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095518171 282947657 /nfs/dbraw/zinc/94/76/57/282947657.db2.gz ZIRNFGZRKHOESK-ZDUSSCGKSA-N 1 0 281.346 3.359 50 0 CGAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000002694443 169820470 /nfs/dbraw/zinc/82/04/70/169820470.db2.gz WYQXVDHCELLOBL-KBPBESRZSA-N 1 0 279.424 3.328 50 0 CGAARO Cc1nn(C(C)C)cc1C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000430107754 236536454 /nfs/dbraw/zinc/53/64/54/236536454.db2.gz YFWJLXIJZXHUJW-MRXNPFEDSA-N 1 0 293.455 3.049 50 0 CGAARO CN(CCn1ccc2ccccc21)CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000299783935 200873618 /nfs/dbraw/zinc/87/36/18/200873618.db2.gz VSFHZINALXOGRH-FUHWJXTLSA-N 1 0 297.446 3.057 50 0 CGAARO CCOc1cccc(C[N@H+](C)Cc2ccncc2)c1 ZINC000183744041 189367190 /nfs/dbraw/zinc/36/71/90/189367190.db2.gz LKKCZXXXMGVDRF-UHFFFAOYSA-N 1 0 256.349 3.112 50 0 CGAARO Nc1ncccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000451068483 240212421 /nfs/dbraw/zinc/21/24/21/240212421.db2.gz ZQMMXGPKBUDKKY-ZDUSSCGKSA-N 1 0 287.794 3.307 50 0 CGAARO C[NH+](C)CCn1c2ccccc2n2cc(C(C)(C)C)nc21 ZINC000000208041 368315604 /nfs/dbraw/zinc/31/56/04/368315604.db2.gz GWHFNRLAZAKTJC-UHFFFAOYSA-N 1 0 284.407 3.148 50 0 CGAARO C[NH+](C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000000122 368269146 /nfs/dbraw/zinc/26/91/46/368269146.db2.gz OJFSXZCBGQGRNV-INIZCTEOSA-N 1 0 290.794 3.403 50 0 fda CGAARO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000000237136 368321923 /nfs/dbraw/zinc/32/19/23/368321923.db2.gz YAYHXGAKFUGZQS-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO CC[C@]1(C)C[C@](CC[NH3+])(c2ccccc2OC)CCO1 ZINC000000171727 368308581 /nfs/dbraw/zinc/30/85/81/368308581.db2.gz PIZPJDAJWPLXFJ-IAGOWNOFSA-N 1 0 277.408 3.261 50 0 biogenic CGAARO c1ccc2[nH]c(SCC[NH+]3CCCCC3)nc2c1 ZINC000000175639 368309368 /nfs/dbraw/zinc/30/93/68/368309368.db2.gz ZPVBJQVKTROHQK-UHFFFAOYSA-N 1 0 261.394 3.141 50 0 CGAARO Cc1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000000182195 368310731 /nfs/dbraw/zinc/31/07/31/368310731.db2.gz SIXHSLJCOHWHSM-UHFFFAOYSA-N 1 0 263.344 3.191 50 0 CGAARO CCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000000278364 368331097 /nfs/dbraw/zinc/33/10/97/368331097.db2.gz FOLUVIWEWZTFTB-UHFFFAOYSA-N 1 0 262.180 3.198 50 0 CGAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccncc2)CC1 ZINC000000316715 368340764 /nfs/dbraw/zinc/34/07/64/368340764.db2.gz PDXMZOSXVILDLH-UHFFFAOYSA-N 1 0 295.430 3.178 50 0 CGAARO C[NH+]1CCC(OC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000000383060 368353345 /nfs/dbraw/zinc/35/33/45/368353345.db2.gz WEDPAAIBKRHAKS-UHFFFAOYSA-N 1 0 288.174 3.244 50 0 CGAARO CCC(CC)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000860354 368397349 /nfs/dbraw/zinc/39/73/49/368397349.db2.gz SFFXPMCEHSIZSP-UHFFFAOYSA-N 1 0 294.826 3.286 50 0 CGAARO CCC[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000002638623 368471567 /nfs/dbraw/zinc/47/15/67/368471567.db2.gz UVFFXSYKPDQACO-GOSISDBHSA-N 1 0 299.414 3.153 50 0 CGAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000002694394 368472420 /nfs/dbraw/zinc/47/24/20/368472420.db2.gz GSORGCKTOGAQPD-HZPDHXFCSA-N 1 0 291.435 3.426 50 0 CGAARO CCc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000002734931 368474445 /nfs/dbraw/zinc/47/44/45/368474445.db2.gz GPPSIDWCTTVRGC-UHFFFAOYSA-N 1 0 272.436 3.309 50 0 CGAARO COc1ccc([C@H](CC[NH3+])c2ccc(F)cc2)cc1 ZINC000002453273 368456282 /nfs/dbraw/zinc/45/62/82/368456282.db2.gz IYOIETVLDHFHQD-MRXNPFEDSA-N 1 0 259.324 3.315 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000002498319 368457438 /nfs/dbraw/zinc/45/74/38/368457438.db2.gz AUTSTKCIXFOVDJ-OKACTXMXSA-N 1 0 287.403 3.365 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000002573294 368467048 /nfs/dbraw/zinc/46/70/48/368467048.db2.gz AZNZUVZVQAEQJI-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CC[N@H+](CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000003279656 368500148 /nfs/dbraw/zinc/50/01/48/368500148.db2.gz WBJZPDPSHUXIJQ-UHFFFAOYSA-N 1 0 278.371 3.419 50 0 CGAARO CC(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003311603 368501968 /nfs/dbraw/zinc/50/19/68/368501968.db2.gz IBITXMVJDMMHGI-UHFFFAOYSA-N 1 0 294.704 3.295 50 0 CGAARO Oc1ccc(O)c(SCCCC[NH+]2CCCCC2)c1 ZINC000003156030 368494207 /nfs/dbraw/zinc/49/42/07/368494207.db2.gz PIQRZMTWCXYOET-UHFFFAOYSA-N 1 0 281.421 3.456 50 0 CGAARO Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000003538822 368511648 /nfs/dbraw/zinc/51/16/48/368511648.db2.gz DKJSBTCYIKKAHC-AWEZNQCLSA-N 1 0 260.381 3.116 50 0 CGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000003683442 368517692 /nfs/dbraw/zinc/51/76/92/368517692.db2.gz CJSJGJXCOQSPIM-RHSMWYFYSA-N 1 0 275.436 3.463 50 0 CGAARO COc1ccccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004568995 368552056 /nfs/dbraw/zinc/55/20/56/368552056.db2.gz CORYJBBPBOFFSL-UHFFFAOYSA-N 1 0 276.424 3.094 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000004981238 368559240 /nfs/dbraw/zinc/55/92/40/368559240.db2.gz MEPQVZPPPLLVQK-CVEARBPZSA-N 1 0 288.435 3.396 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1C ZINC000004173888 368535422 /nfs/dbraw/zinc/53/54/22/368535422.db2.gz UBWDAHBWWAEZLS-AEFFLSMTSA-N 1 0 299.414 3.394 50 0 CGAARO [NH3+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004218572 368537012 /nfs/dbraw/zinc/53/70/12/368537012.db2.gz JRRMXVKVPRKPGG-UHFFFAOYSA-N 1 0 267.307 3.137 50 0 CGAARO COc1cc(C[NH2+]Cc2ccccc2C)cc(OC)c1 ZINC000004309375 368541599 /nfs/dbraw/zinc/54/15/99/368541599.db2.gz KJYCQVDUWKHCSM-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 CGAARO COc1cc(C[NH2+]C2CCCCC2)cc(OC)c1OC ZINC000004550787 368550814 /nfs/dbraw/zinc/55/08/14/368550814.db2.gz FYBOVRYVAWKQII-UHFFFAOYSA-N 1 0 279.380 3.135 50 0 CGAARO CC(C)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000007446960 368570694 /nfs/dbraw/zinc/57/06/94/368570694.db2.gz PLJIMBNNPXDVNT-UHFFFAOYSA-N 1 0 274.408 3.480 50 0 CGAARO C[C@@H]([NH2+]CCCn1cccn1)c1cc2ccccc2o1 ZINC000095419846 296124603 /nfs/dbraw/zinc/12/46/03/296124603.db2.gz FBCHGWGMZXTVGP-CYBMUJFWSA-N 1 0 269.348 3.370 50 0 CGAARO Cn1cc([C@@H](C[NH3+])c2ccccc2)c2ccccc21 ZINC000009696491 368577169 /nfs/dbraw/zinc/57/71/69/368577169.db2.gz NBHVFWUDGJEAON-HNNXBMFYSA-N 1 0 250.345 3.269 50 0 CGAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000011878700 368598679 /nfs/dbraw/zinc/59/86/79/368598679.db2.gz HDAFYYCSXWCGCL-WCLIJEPQSA-N 1 0 292.467 3.313 50 0 CGAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])CC12CCCCC2 ZINC000012505589 368614588 /nfs/dbraw/zinc/61/45/88/368614588.db2.gz BEMKTJWLESTTEL-LBPRGKRZSA-N 1 0 268.401 3.048 50 0 CGAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000013320295 368649557 /nfs/dbraw/zinc/64/95/57/368649557.db2.gz QEJKGCYZUOGBKC-UHFFFAOYSA-N 1 0 293.386 3.130 50 0 CGAARO Cc1ccc(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000014199279 368678298 /nfs/dbraw/zinc/67/82/98/368678298.db2.gz ALZPZPGFHOZDCE-GJZGRUSLSA-N 1 0 290.432 3.377 50 0 CGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000014915385 368687559 /nfs/dbraw/zinc/68/75/59/368687559.db2.gz TWQWCUKNLWRFAG-ZDUSSCGKSA-N 1 0 294.826 3.077 50 0 CGAARO c1ccc(CC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019633143 368759042 /nfs/dbraw/zinc/75/90/42/368759042.db2.gz SGUJYFIRHNIPPT-UHFFFAOYSA-N 1 0 280.415 3.047 50 0 CGAARO Cc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000019781725 368765940 /nfs/dbraw/zinc/76/59/40/368765940.db2.gz JGIMZNHVQBXNFH-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO Fc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019842498 368771081 /nfs/dbraw/zinc/77/10/81/368771081.db2.gz VDJRJFNLJRQUDI-UHFFFAOYSA-N 1 0 276.399 3.276 50 0 CGAARO CCC(CC)[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000019842479 368771740 /nfs/dbraw/zinc/77/17/40/368771740.db2.gz NQERSMCYMSNQAO-UHFFFAOYSA-N 1 0 264.388 3.132 50 0 CGAARO [NH3+]CCN[C@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000022917560 368813667 /nfs/dbraw/zinc/81/36/67/368813667.db2.gz QHMZRIOWDJQBHT-OAHLLOKOSA-N 1 0 294.320 3.343 50 0 CGAARO [NH3+]CCN[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000022917472 368814632 /nfs/dbraw/zinc/81/46/32/368814632.db2.gz FTVSEGQKCYXAEW-HNNXBMFYSA-N 1 0 278.758 3.117 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1ccc(F)c(F)c1 ZINC000023115005 368817065 /nfs/dbraw/zinc/81/70/65/368817065.db2.gz KZNDFVIGVHIBMU-UHFFFAOYSA-N 1 0 262.303 3.034 50 0 CGAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023281573 368819825 /nfs/dbraw/zinc/81/98/25/368819825.db2.gz YVIWHNNMHVYXMF-MRXNPFEDSA-N 1 0 277.408 3.070 50 0 CGAARO CCOc1cc(C[NH+]2CCC(C)CC2)ccc1OC ZINC000023281964 368820239 /nfs/dbraw/zinc/82/02/39/368820239.db2.gz JLGSJEIECYSGSJ-UHFFFAOYSA-N 1 0 263.381 3.326 50 0 CGAARO CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662736 368873657 /nfs/dbraw/zinc/87/36/57/368873657.db2.gz ATSJDSWRVWTGNM-CYBMUJFWSA-N 1 0 280.437 3.191 50 0 CGAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000030757784 368906242 /nfs/dbraw/zinc/90/62/42/368906242.db2.gz FCCDLBLZMMJOTF-HNNXBMFYSA-N 1 0 286.419 3.155 50 0 CGAARO COc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1OC ZINC000033646611 368967648 /nfs/dbraw/zinc/96/76/48/368967648.db2.gz SKNKDSZKBFMMPB-CHWSQXEVSA-N 1 0 263.381 3.467 50 0 CGAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C(C)C)[C@@H]1C ZINC000033878996 368969263 /nfs/dbraw/zinc/96/92/63/368969263.db2.gz TZKMUTIJRAEZBG-PBHICJAKSA-N 1 0 275.392 3.338 50 0 CGAARO [NH3+]CCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000034924713 368979639 /nfs/dbraw/zinc/97/96/39/368979639.db2.gz YWXKJIRHXSVOGG-UHFFFAOYSA-N 1 0 272.295 3.330 50 0 in-vitro CGAARO C[NH+](C)CCNc1nnc(-c2ccccc2)c2ccccc21 ZINC000033012213 368956511 /nfs/dbraw/zinc/95/65/11/368956511.db2.gz KTFGDWWDWQDBBD-UHFFFAOYSA-N 1 0 292.386 3.270 50 0 CGAARO O=C1[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]1CCCCC2 ZINC000036379727 369018621 /nfs/dbraw/zinc/01/86/21/369018621.db2.gz CAKHVQISVLHFSJ-HOTGVXAUSA-N 1 0 257.377 3.268 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000036968265 369044295 /nfs/dbraw/zinc/04/42/95/369044295.db2.gz FHUPFATWWKIAIO-HNNXBMFYSA-N 1 0 261.344 3.344 50 0 CGAARO COc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000034980759 368985809 /nfs/dbraw/zinc/98/58/09/368985809.db2.gz STNFXQPHLANMTL-LBPRGKRZSA-N 1 0 261.365 3.130 50 0 CGAARO C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000035052929 368993284 /nfs/dbraw/zinc/99/32/84/368993284.db2.gz GVEMSOPLYLTIQY-RDJZCZTQSA-N 1 0 299.414 3.311 50 0 CGAARO CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039398985 369150650 /nfs/dbraw/zinc/15/06/50/369150650.db2.gz XDYBLYXOINDZAL-UHFFFAOYSA-N 1 0 272.314 3.237 50 0 CGAARO C[C@H](CNc1ncnc2sccc21)C[NH+]1CCCCC1 ZINC000037999263 369137922 /nfs/dbraw/zinc/13/79/22/369137922.db2.gz CDLAIRMLGPHXFP-GFCCVEGCSA-N 1 0 290.436 3.225 50 0 CGAARO Clc1ccc(COC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771836 369231019 /nfs/dbraw/zinc/23/10/19/369231019.db2.gz QGUNWYMHYOIANP-VIFPVBQESA-N 1 0 260.164 3.120 50 0 CGAARO FC(F)(F)c1cc([C@@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000043513162 369253484 /nfs/dbraw/zinc/25/34/84/369253484.db2.gz YADZLVYDMFXNIX-JTQLQIEISA-N 1 0 299.214 3.385 50 0 CGAARO c1nc(C[N@@H+](C[C@H]2CCOC2)C2CC2)oc1-c1ccccc1 ZINC000047405675 369313843 /nfs/dbraw/zinc/31/38/43/369313843.db2.gz ZHNBXNYQQVFYGP-CQSZACIVSA-N 1 0 298.386 3.343 50 0 CGAARO C[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000049595412 369412360 /nfs/dbraw/zinc/41/23/60/369412360.db2.gz JOGBIPHDSPEGHJ-JTQLQIEISA-N 1 0 254.171 3.433 50 0 CGAARO Cc1occc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054225285 369498912 /nfs/dbraw/zinc/49/89/12/369498912.db2.gz SUTLJBBMLDWEOI-XJKSGUPXSA-N 1 0 298.386 3.153 50 0 CGAARO COCC[N@H+](Cc1sccc1C)Cc1ccccn1 ZINC000055369575 369515249 /nfs/dbraw/zinc/51/52/49/369515249.db2.gz GDQGMUQCTGEXFU-UHFFFAOYSA-N 1 0 276.405 3.100 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543076 369518681 /nfs/dbraw/zinc/51/86/81/369518681.db2.gz SBZDGERKAMLRED-UHFFFAOYSA-N 1 0 266.388 3.317 50 0 CGAARO OC1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000057871556 369547872 /nfs/dbraw/zinc/54/78/72/369547872.db2.gz BVTOTDLTKRLOFB-UHFFFAOYSA-N 1 0 285.840 3.279 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)cc1Cl ZINC000058055562 369553197 /nfs/dbraw/zinc/55/31/97/369553197.db2.gz MVRWXJJCOQCGTD-LLVKDONJSA-N 1 0 280.799 3.317 50 0 CGAARO O=C1OCCN1CCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892519 369593010 /nfs/dbraw/zinc/59/30/10/369593010.db2.gz GCDVQIKKBAWGQI-INIZCTEOSA-N 1 0 294.439 3.264 50 0 CGAARO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000064666905 369659611 /nfs/dbraw/zinc/65/96/11/369659611.db2.gz SJMIVHVVAACPOC-CQSZACIVSA-N 1 0 272.348 3.329 50 0 CGAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000067172267 369712818 /nfs/dbraw/zinc/71/28/18/369712818.db2.gz CBOILEULVFQPKE-MSOLQXFVSA-N 1 0 295.382 3.075 50 0 CGAARO C[C@@H](Cc1ccccn1)[N@H+](C)C1Cc2ccccc2C1 ZINC000065399351 369674514 /nfs/dbraw/zinc/67/45/14/369674514.db2.gz PLGDCVKNZAHKTK-AWEZNQCLSA-N 1 0 266.388 3.112 50 0 CGAARO CCOC(=O)N1CCC([N@H+](C)Cc2sccc2C)CC1 ZINC000065461474 369678018 /nfs/dbraw/zinc/67/80/18/369678018.db2.gz BOVQGMPXEKWMTH-UHFFFAOYSA-N 1 0 296.436 3.109 50 0 CGAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C3CC3)c2C1 ZINC000065490463 369678588 /nfs/dbraw/zinc/67/85/88/369678588.db2.gz NIVKLIPKZCMSFW-GFCCVEGCSA-N 1 0 272.392 3.395 50 0 CGAARO C[N@@H+](Cc1ccoc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000065525550 369680187 /nfs/dbraw/zinc/68/01/87/369680187.db2.gz PCUHKAOAHHRITK-HNNXBMFYSA-N 1 0 270.376 3.238 50 0 CGAARO COc1ccccc1[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000065622674 369685444 /nfs/dbraw/zinc/68/54/44/369685444.db2.gz WQLBVPAXKKZXPD-AWEZNQCLSA-N 1 0 270.376 3.326 50 0 CGAARO Cc1ccc2[nH]cc(C[N@H+](C)C[C@@H]3CCCCO3)c2c1 ZINC000067968009 369737842 /nfs/dbraw/zinc/73/78/42/369737842.db2.gz OMSJAESOMLJRFE-HNNXBMFYSA-N 1 0 272.392 3.477 50 0 CGAARO C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000069367093 369757835 /nfs/dbraw/zinc/75/78/35/369757835.db2.gz HWVCAOZOASXLNT-NSHDSACASA-N 1 0 277.755 3.199 50 0 CGAARO C[NH2+]CCCOc1ccccc1-c1ccc(O)cc1 ZINC000067881570 369734237 /nfs/dbraw/zinc/73/42/37/369734237.db2.gz UJUFIFBTZOLYPF-UHFFFAOYSA-N 1 0 257.333 3.048 50 0 CGAARO c1cn(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c(C2CC2)n1 ZINC000071762152 369808304 /nfs/dbraw/zinc/80/83/04/369808304.db2.gz YRMPVXBMWDSYQN-QGZVFWFLSA-N 1 0 281.403 3.250 50 0 CGAARO Fc1cccc(-c2nccn2CC[C@@H]2CCCC[NH2+]2)c1F ZINC000072432841 369820498 /nfs/dbraw/zinc/82/04/98/369820498.db2.gz NFJFXTNOJIFXQH-LBPRGKRZSA-N 1 0 291.345 3.361 50 0 CGAARO CC[C@H]1C[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CCO1 ZINC000072478127 369822303 /nfs/dbraw/zinc/82/23/03/369822303.db2.gz DKGUYFMOZSAHMS-KRWDZBQOSA-N 1 0 291.435 3.001 50 0 CGAARO Cn1cc(CC[N@H+](C)Cc2ccccc2C(F)(F)F)cn1 ZINC000069951826 369775097 /nfs/dbraw/zinc/77/50/97/369775097.db2.gz QBWJOEYERWSNLF-UHFFFAOYSA-N 1 0 297.324 3.113 50 0 CGAARO CCSC[C@@H](C)[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000072903149 369842912 /nfs/dbraw/zinc/84/29/12/369842912.db2.gz CGWKFRGVUTXPRL-GFCCVEGCSA-N 1 0 280.437 3.218 50 0 CGAARO Cc1noc(CCC[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000078970950 369957535 /nfs/dbraw/zinc/95/75/35/369957535.db2.gz GYYFYEHCMDWJGI-JTQLQIEISA-N 1 0 295.333 3.282 50 0 CGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC000076108338 369929801 /nfs/dbraw/zinc/92/98/01/369929801.db2.gz SETVYWFEEWSKOM-ROUUACIJSA-N 1 0 282.387 3.170 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000080339811 369986922 /nfs/dbraw/zinc/98/69/22/369986922.db2.gz RVKQMYCHMFHOLF-HWPZZCPQSA-N 1 0 273.355 3.270 50 0 CGAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCn1cccn1 ZINC000089905439 370050135 /nfs/dbraw/zinc/05/01/35/370050135.db2.gz GVIISITZUGUJSK-GJZGRUSLSA-N 1 0 257.381 3.055 50 0 CGAARO c1ccc(CC2(C[NH2+]C3CCOCC3)CCC2)cc1 ZINC000095411292 370185361 /nfs/dbraw/zinc/18/53/61/370185361.db2.gz FLRRUDVLIVAYBR-UHFFFAOYSA-N 1 0 259.393 3.168 50 0 CGAARO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095377186 370180851 /nfs/dbraw/zinc/18/08/51/370180851.db2.gz AIKIDMVKEQLLJB-FUHWJXTLSA-N 1 0 297.446 3.474 50 0 CGAARO C[N@H+](CCCO)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000095394304 370182333 /nfs/dbraw/zinc/18/23/33/370182333.db2.gz MCJKIHVQQJHIOI-INIZCTEOSA-N 1 0 290.794 3.139 50 0 CGAARO C[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644646 370153793 /nfs/dbraw/zinc/15/37/93/370153793.db2.gz VUYHCFRHTOSXFK-FZMZJTMJSA-N 1 0 284.806 3.394 50 0 CGAARO CCOC[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000093839162 370163143 /nfs/dbraw/zinc/16/31/43/370163143.db2.gz RMCNNUXQNVDKJA-NHZBNJEXSA-N 1 0 263.356 3.197 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2s1)C[C@@H]1CCOC1 ZINC000093839783 370163805 /nfs/dbraw/zinc/16/38/05/370163805.db2.gz UOQMIEICKUIIJQ-LBPRGKRZSA-N 1 0 261.390 3.370 50 0 CGAARO c1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000096447518 370211916 /nfs/dbraw/zinc/21/19/16/370211916.db2.gz CEMPNKUGXBIHIH-LSDHHAIUSA-N 1 0 259.374 3.368 50 0 CGAARO OC1(C(F)(F)F)CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000097095428 370224494 /nfs/dbraw/zinc/22/44/94/370224494.db2.gz HVUKAHFKKMJBIU-UHFFFAOYSA-N 1 0 298.308 3.057 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000097110881 370226494 /nfs/dbraw/zinc/22/64/94/370226494.db2.gz JCYCWHAZMHXTNL-STQMWFEESA-N 1 0 278.444 3.301 50 0 CGAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(COC(=O)O3)CC2)o1 ZINC000097785032 370254231 /nfs/dbraw/zinc/25/42/31/370254231.db2.gz OOVKXBIWXAVAPR-GFCCVEGCSA-N 1 0 293.363 3.083 50 0 CGAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccncc1 ZINC000097375343 370239925 /nfs/dbraw/zinc/23/99/25/370239925.db2.gz XKYZZICLTFAVAM-UHFFFAOYSA-N 1 0 278.359 3.104 50 0 CGAARO CCc1nc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cs1 ZINC000097374511 370240073 /nfs/dbraw/zinc/24/00/73/370240073.db2.gz PCJBNPGJYDJOQF-NKFCBESUSA-N 1 0 288.416 3.014 50 0 CGAARO OCC[C@H]([NH2+]Cc1ccncc1Cl)C1CCCCC1 ZINC000097376806 370241575 /nfs/dbraw/zinc/24/15/75/370241575.db2.gz KMJJNTIUABGHCZ-HNNXBMFYSA-N 1 0 282.815 3.156 50 0 CGAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2OC)ccn1 ZINC000095420323 370188706 /nfs/dbraw/zinc/18/87/06/370188706.db2.gz IPTUCSUOEGHQJR-CYBMUJFWSA-N 1 0 286.375 3.340 50 0 CGAARO c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccccn2)cc1 ZINC000095435736 370192750 /nfs/dbraw/zinc/19/27/50/370192750.db2.gz YLXBSSPLEVCBSU-CRAIPNDOSA-N 1 0 282.387 3.339 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000095448934 370194897 /nfs/dbraw/zinc/19/48/97/370194897.db2.gz SNWVKMPOUHWWDZ-MWLCHTKSSA-N 1 0 282.434 3.115 50 0 CGAARO CC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)C1CC1 ZINC000095453410 370196720 /nfs/dbraw/zinc/19/67/20/370196720.db2.gz GFCGTODNYWGSAW-INIZCTEOSA-N 1 0 259.393 3.309 50 0 CGAARO C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000095468603 370199504 /nfs/dbraw/zinc/19/95/04/370199504.db2.gz RPORFGXUGQIGDN-UHFFFAOYSA-N 1 0 282.387 3.427 50 0 CGAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccs1 ZINC000134791448 371365162 /nfs/dbraw/zinc/36/51/62/371365162.db2.gz ASSIVOISBUEJCK-VTPLQMEGSA-N 1 0 263.406 3.356 50 0 CGAARO CCn1nc(C)nc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426440218 372159051 /nfs/dbraw/zinc/15/90/51/372159051.db2.gz DJNVRCFBUXXWSF-CYBMUJFWSA-N 1 0 284.407 3.430 50 0 CGAARO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161703040 372347612 /nfs/dbraw/zinc/34/76/12/372347612.db2.gz IJMPVBHJGLGVJY-GWCFXTLKSA-N 1 0 298.789 3.141 50 0 CGAARO C[NH2+]Cc1ccccc1NC(=O)[C@H](C)c1cccs1 ZINC000170048086 372634404 /nfs/dbraw/zinc/63/44/04/372634404.db2.gz CYZMMILUDAKLOC-LLVKDONJSA-N 1 0 274.389 3.210 50 0 CGAARO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000170079857 372634898 /nfs/dbraw/zinc/63/48/98/372634898.db2.gz WPZFNHLQWOVUMX-MXWKQRLJSA-N 1 0 285.334 3.203 50 0 CGAARO Cc1cc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)ccc1F ZINC000299790300 373613550 /nfs/dbraw/zinc/61/35/50/373613550.db2.gz BPQWRXTUDTXOFQ-CYBMUJFWSA-N 1 0 275.298 3.202 50 0 CGAARO COc1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000077440094 541912483 /nfs/dbraw/zinc/91/24/83/541912483.db2.gz SEWYYMGSKNLIID-UHFFFAOYSA-N 1 0 284.359 3.138 50 0 CGAARO OC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000328594057 374368351 /nfs/dbraw/zinc/36/83/51/374368351.db2.gz MGPNVSWYJUHNLV-YSIASYRMSA-N 1 0 293.410 3.382 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1 ZINC000090916343 541965294 /nfs/dbraw/zinc/96/52/94/541965294.db2.gz LMVASRNFRZVCKW-LXZKKBNFSA-N 1 0 289.423 3.398 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)[C@@]1(C)CCCO1 ZINC000252484786 189975848 /nfs/dbraw/zinc/97/58/48/189975848.db2.gz GHLJCDXTUXRIBM-YSVLISHTSA-N 1 0 259.393 3.264 50 0 CGAARO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)s1 ZINC000095401529 541990869 /nfs/dbraw/zinc/99/08/69/541990869.db2.gz JAZNJYYUXJEOPK-CQSZACIVSA-N 1 0 273.405 3.226 50 0 CGAARO C[C@H](C[NH2+][C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082229 375156212 /nfs/dbraw/zinc/15/62/12/375156212.db2.gz LGBZOIAZSNBIPU-BXUZGUMPSA-N 1 0 290.798 3.160 50 0 CGAARO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc2ccccc2s1 ZINC000188106332 375159307 /nfs/dbraw/zinc/15/93/07/375159307.db2.gz OSCRIFAGFJGZEP-IAQYHMDHSA-N 1 0 293.457 3.420 50 0 CGAARO Brc1cncc(-c2nccn2CC2CC2)c1 ZINC000096009638 541992950 /nfs/dbraw/zinc/99/29/50/541992950.db2.gz ZDSHMDBMRFUSHC-UHFFFAOYSA-N 1 0 278.153 3.118 50 0 CGAARO COCCOC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194393903 375997747 /nfs/dbraw/zinc/99/77/47/375997747.db2.gz VAIZEKWSVKKQOJ-UHFFFAOYSA-N 1 0 289.828 3.029 50 0 CGAARO C[C@H](C1CC1)N(C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000195543221 376112367 /nfs/dbraw/zinc/11/23/67/376112367.db2.gz OGNOSEGQWDAFEY-OGHNNQOOSA-N 1 0 286.419 3.112 50 0 CGAARO CCN(CC[C@@H](C)SC)Cc1nc(C(C)C)no1 ZINC000215611311 376150757 /nfs/dbraw/zinc/15/07/57/376150757.db2.gz NQUOZTWEWDMLJW-LLVKDONJSA-N 1 0 271.430 3.157 50 0 CGAARO COc1c(N)cc[nH+]c1-c1ccc([C@@H](C)OC)cc1 ZINC000215974665 376155306 /nfs/dbraw/zinc/15/53/06/376155306.db2.gz TWTFAXLQCHLUQC-SNVBAGLBSA-N 1 0 258.321 3.047 50 0 CGAARO CCc1ccc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000222052792 376227997 /nfs/dbraw/zinc/22/79/97/376227997.db2.gz DWYCIHQFZYDWAR-GFCCVEGCSA-N 1 0 271.408 3.450 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000229315861 376459661 /nfs/dbraw/zinc/45/96/61/376459661.db2.gz LREUFWQPTRHVSA-MAUKXSAKSA-N 1 0 281.403 3.007 50 0 CGAARO C[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCN1[C@@H]1C=CCCC1 ZINC000229689250 376470464 /nfs/dbraw/zinc/47/04/64/376470464.db2.gz WMMCZZMVJCNODN-YESZJQIVSA-N 1 0 260.425 3.210 50 0 CGAARO CC/C(=C/C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(C)cc1 ZINC000236893586 376709375 /nfs/dbraw/zinc/70/93/75/376709375.db2.gz TZEUOOXRENWJPS-RHXVPXQASA-N 1 0 286.419 3.127 50 0 CGAARO C[C@@H]([NH3+])C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000237444162 376743295 /nfs/dbraw/zinc/74/32/95/376743295.db2.gz JRHLZCKNHGHUTM-CHWSQXEVSA-N 1 0 282.387 3.239 50 0 CGAARO Cc1cncc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000241720830 376778966 /nfs/dbraw/zinc/77/89/66/376778966.db2.gz 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c1csc([C@@H]([NH2+]Cc2ncc[nH]2)C2CCCC2)c1 ZINC000049715362 416474841 /nfs/dbraw/zinc/47/48/41/416474841.db2.gz XEDHXJUTTIGDRQ-AWEZNQCLSA-N 1 0 261.394 3.492 50 0 CGAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccccc2F)cn1 ZINC000048782291 416459356 /nfs/dbraw/zinc/45/93/56/416459356.db2.gz WGGWQHVJLYCDHL-UHFFFAOYSA-N 1 0 296.349 3.005 50 0 CGAARO CS[C@H](C)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000216462369 416520630 /nfs/dbraw/zinc/52/06/30/416520630.db2.gz UFHHUZQWAFHGRO-GFCCVEGCSA-N 1 0 250.411 3.188 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000035633070 273499789 /nfs/dbraw/zinc/49/97/89/273499789.db2.gz PYOZLJFLGIAVOE-HNNXBMFYSA-N 1 0 290.407 3.176 50 0 CGAARO CC(C)(C)c1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774681 273502889 /nfs/dbraw/zinc/50/28/89/273502889.db2.gz LIALYUKMYRMKKF-NSHDSACASA-N 1 0 298.224 3.487 50 0 CGAARO CC(C)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040023675 273513640 /nfs/dbraw/zinc/51/36/40/273513640.db2.gz QLTOYNHWXNDAJT-UHFFFAOYSA-N 1 0 286.341 3.483 50 0 CGAARO CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000021998148 275536015 /nfs/dbraw/zinc/53/60/15/275536015.db2.gz RZVLVYYINZOWAJ-HOTGVXAUSA-N 1 0 261.409 3.377 50 0 CGAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000012381377 277133947 /nfs/dbraw/zinc/13/39/47/277133947.db2.gz CENOXFXHNKZZRG-AQFXKWCLSA-N 1 0 297.483 3.455 50 0 CGAARO CC(C)(C)SCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000242288020 277223092 /nfs/dbraw/zinc/22/30/92/277223092.db2.gz YKLDEPQEAQKERY-QWHCGFSZSA-N 1 0 257.443 3.019 50 0 CGAARO COc1ccc(-[n+]2c(C)cn3c2CCc2ccccc2-3)cc1 ZINC000003174003 277858997 /nfs/dbraw/zinc/85/89/97/277858997.db2.gz BAGXZXQTOYRYPU-UHFFFAOYSA-N 1 0 291.374 3.170 50 0 CGAARO COc1cccc(C[NH2+][C@H]2CCc3ccc(C)cc32)n1 ZINC000095421897 278013366 /nfs/dbraw/zinc/01/33/66/278013366.db2.gz AHUJCPOXCSHDFE-INIZCTEOSA-N 1 0 268.360 3.176 50 0 CGAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000107145214 278144624 /nfs/dbraw/zinc/14/46/24/278144624.db2.gz UWIPTTVWJDUJIV-JKSUJKDBSA-N 1 0 292.448 3.361 50 0 CGAARO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000016421024 279143991 /nfs/dbraw/zinc/14/39/91/279143991.db2.gz DNQWBESNVTWRNM-IUODEOHRSA-N 1 0 273.401 3.401 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000245232376 280411928 /nfs/dbraw/zinc/41/19/28/280411928.db2.gz URMJPEDTGXJUMD-QKPAOTATSA-N 1 0 285.472 3.213 50 0 CGAARO c1ccc(COc2ccc3c(c2)CC[C@@]2(CC[NH2+]C2)O3)cc1 ZINC000036142058 280479746 /nfs/dbraw/zinc/47/97/46/280479746.db2.gz NZYDFBCOVCECBH-IBGZPJMESA-N 1 0 295.382 3.323 50 0 CGAARO Cc1cc(=O)c2cccc(-c3cccc4c3CC[NH2+]C4)c2[nH]1 ZINC000071775607 301066350 /nfs/dbraw/zinc/06/63/50/301066350.db2.gz SOQBMJQZMUOADM-UHFFFAOYSA-N 1 0 290.366 3.149 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558586 336056171 /nfs/dbraw/zinc/05/61/71/336056171.db2.gz PCOHFNDJPIMCGN-CTASWTNQSA-N 1 0 257.377 3.070 50 0 CGAARO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000096478205 533788464 /nfs/dbraw/zinc/78/84/64/533788464.db2.gz VZVPIPPCENKFEO-AAEUAGOBSA-N 1 0 279.405 3.197 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@H](C)[C@@H]3CCOC3)ccc2n1 ZINC000097862073 534470794 /nfs/dbraw/zinc/47/07/94/534470794.db2.gz FLGYDXSIIOHHKA-CZUORRHYSA-N 1 0 270.376 3.058 50 0 CGAARO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc(O)c1 ZINC000249512625 525523563 /nfs/dbraw/zinc/52/35/63/525523563.db2.gz IMYHOPSJDGRZRY-DEYYWGMASA-N 1 0 285.387 3.035 50 0 CGAARO CC(=O)N1CCC[N@@H+]([C@H]2CCCCc3ccccc32)CC1 ZINC000098016210 526561698 /nfs/dbraw/zinc/56/16/98/526561698.db2.gz ZEYNMXAIPOHIOV-SFHVURJKSA-N 1 0 286.419 3.008 50 0 CGAARO CC[NH+](CC)CCN[C@@H](C)c1ccc(Br)o1 ZINC000131612910 528136789 /nfs/dbraw/zinc/13/67/89/528136789.db2.gz ZRVFHTNSPFINGB-JTQLQIEISA-N 1 0 289.217 3.035 50 0 CGAARO CC1(C)C[C@]1(C[NH2+]Cc1cccnc1N)c1ccccc1 ZINC000952967036 614799824 /nfs/dbraw/zinc/79/98/24/614799824.db2.gz YPSLSGKBOZYEAJ-SFHVURJKSA-N 1 0 281.403 3.121 50 0 CGAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(OC)c(C)c1C ZINC000952973406 615497662 /nfs/dbraw/zinc/49/76/62/615497662.db2.gz CPPNCLGBIRUVOA-INIZCTEOSA-N 1 0 287.407 3.077 50 0 CGAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc1 ZINC000022587907 618241792 /nfs/dbraw/zinc/24/17/92/618241792.db2.gz RMIYJCRPEXMDGJ-QAPCUYQASA-N 1 0 272.436 3.479 50 0 CGAARO COCCC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC000185228199 619059052 /nfs/dbraw/zinc/05/90/52/619059052.db2.gz UQQFBFCSXDZXBH-UHFFFAOYSA-N 1 0 262.397 3.158 50 0 CGAARO CC[C@H]([NH2+]Cc1scnc1C)c1ccc(OC)cn1 ZINC000888098693 619260352 /nfs/dbraw/zinc/26/03/52/619260352.db2.gz OSHUBLFTWBXSBR-LBPRGKRZSA-N 1 0 277.393 3.096 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+][C@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101220 619261071 /nfs/dbraw/zinc/26/10/71/619261071.db2.gz UTRWPNDKDDEURR-VXGBXAGGSA-N 1 0 294.349 3.263 50 0 CGAARO O=C(OC/C=C/c1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000095946237 620544607 /nfs/dbraw/zinc/54/46/07/620544607.db2.gz QGXKAYRFAANWSU-NADMHLTPSA-N 1 0 285.387 3.117 50 0 CGAARO CO[C@@H]1CCC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000903103467 621575823 /nfs/dbraw/zinc/57/58/23/621575823.db2.gz IMVDQTFXGJAOSP-ZIAGYGMSSA-N 1 0 285.428 3.046 50 0 CGAARO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000156855432 639984388 /nfs/dbraw/zinc/98/43/88/639984388.db2.gz BYOPGSNWODHTLA-OAHLLOKOSA-N 1 0 295.471 3.127 50 0 CGAARO Cc1ccoc1C(=O)NCC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000067982705 798911566 /nfs/dbraw/zinc/91/15/66/798911566.db2.gz INHJXABJBPTJQJ-HNNXBMFYSA-N 1 0 292.423 3.076 50 0 CGAARO Nc1nc2c(cc(F)cc2-c2cccc3c2CC[NH2+]C3)s1 ZINC000071614647 798918077 /nfs/dbraw/zinc/91/80/77/798918077.db2.gz QDIYTONCLCSHBR-UHFFFAOYSA-N 1 0 299.374 3.330 50 0 CGAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)CCC1CCCC1 ZINC000581813017 799675089 /nfs/dbraw/zinc/67/50/89/799675089.db2.gz JZNVLGIKBKDVGR-UHFFFAOYSA-N 1 0 289.423 3.156 50 0 CGAARO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000585133289 799678798 /nfs/dbraw/zinc/67/87/98/799678798.db2.gz DQBDYWBERBUCTL-RHSMWYFYSA-N 1 0 296.418 3.472 50 0 CGAARO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc2nsnc2c1 ZINC000820978118 800455769 /nfs/dbraw/zinc/45/57/69/800455769.db2.gz RWSBMHBBQGEHAZ-SSDOTTSWSA-N 1 0 275.299 3.122 50 0 CGAARO CCc1nccn1CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000952869188 800684564 /nfs/dbraw/zinc/68/45/64/800684564.db2.gz LYPFNHSHRWFYAL-HNNXBMFYSA-N 1 0 271.408 3.229 50 0 CGAARO CC(C)c1ccc(NCC2([NH+](C)C)CCCCC2)nn1 ZINC000952872783 800685678 /nfs/dbraw/zinc/68/56/78/800685678.db2.gz CALGGUYZZZTZEZ-UHFFFAOYSA-N 1 0 276.428 3.276 50 0 CGAARO O=C(N[C@@H]1C=CCCC1)C1([NH+]2CCCC2)CCCCC1 ZINC000952870206 800686399 /nfs/dbraw/zinc/68/63/99/800686399.db2.gz XRRHNRRLDGHZKR-OAHLLOKOSA-N 1 0 276.424 3.010 50 0 CGAARO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccncc3)CC2)CCO1 ZINC000952880863 800687152 /nfs/dbraw/zinc/68/71/52/800687152.db2.gz DPMNVHCFRVGRFD-IKGGRYGDSA-N 1 0 288.435 3.466 50 0 CGAARO CCN(CC)C[C@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000199291445 928054023 /nfs/dbraw/zinc/05/40/23/928054023.db2.gz LXIBBZUOSYLDLU-JKSUJKDBSA-N 1 0 250.430 3.149 50 0 CGAARO CC[N@@H+](Cc1sc(C)nc1C)C[C@@H]1CCCCO1 ZINC001506400828 937989432 /nfs/dbraw/zinc/98/94/32/937989432.db2.gz CJKLJCLPYNEQQV-ZDUSSCGKSA-N 1 0 268.426 3.151 50 0 CGAARO C[N@H+](Cc1ccccc1)C1CCN(c2ccncc2F)CC1 ZINC001506395911 937989446 /nfs/dbraw/zinc/98/94/46/937989446.db2.gz PDYHQJXQQVLHHX-UHFFFAOYSA-N 1 0 299.393 3.322 50 0 CGAARO CCCc1ccc(C[NH2+]Cc2cccc(CO)c2)o1 ZINC001506396717 937989552 /nfs/dbraw/zinc/98/95/52/937989552.db2.gz JQMRBDXXDGCDBD-UHFFFAOYSA-N 1 0 259.349 3.014 50 0 CGAARO CCC[N@H+](CCc1ccccc1)Cc1[nH]cc(C)c(=O)c1C ZINC001506398084 937989576 /nfs/dbraw/zinc/98/95/76/937989576.db2.gz JWHJDHLARXZOSO-UHFFFAOYSA-N 1 0 298.430 3.446 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001506398735 937989731 /nfs/dbraw/zinc/98/97/31/937989731.db2.gz FQUUHOGHGCGXSC-OAHLLOKOSA-N 1 0 283.419 3.421 50 0 CGAARO C[N@H+](CCn1ccnc1)C[C@]1(c2ccccc2)CC1(C)C ZINC001506427068 937990006 /nfs/dbraw/zinc/99/00/06/937990006.db2.gz WNWQFZPRSNQNAQ-SFHVURJKSA-N 1 0 283.419 3.183 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]CCn1ccc2ccccc21 ZINC001506429674 937990145 /nfs/dbraw/zinc/99/01/45/937990145.db2.gz SVXASPWVFUBTOE-HNNXBMFYSA-N 1 0 296.418 3.079 50 0 CGAARO COc1cccc(C[N@H+](C)C2CCSCC2)c1OC ZINC000097743358 230387567 /nfs/dbraw/zinc/38/75/67/230387567.db2.gz LSRUUMLYSMXRKO-UHFFFAOYSA-N 1 0 281.421 3.031 50 0 CGAARO C[C@H](CCCC[NH+](C)C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000095945467 185038206 /nfs/dbraw/zinc/03/82/06/185038206.db2.gz JBPKPKMLKOJTAK-CYBMUJFWSA-N 1 0 287.411 3.004 50 0 CGAARO Cc1noc(C)c1C[NH+]1CCC(COC2CCCC2)CC1 ZINC000095951768 185039734 /nfs/dbraw/zinc/03/97/34/185039734.db2.gz YHGOHHLNLJSPMT-UHFFFAOYSA-N 1 0 292.423 3.463 50 0 CGAARO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967528 185046185 /nfs/dbraw/zinc/04/61/85/185046185.db2.gz ZIPLSLTWDCFCKV-CMPLNLGQSA-N 1 0 290.329 3.184 50 0 CGAARO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000095967490 185046685 /nfs/dbraw/zinc/04/66/85/185046685.db2.gz VTYBVPSWJLWKPT-DLBZAZTESA-N 1 0 288.435 3.107 50 0 CGAARO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968194 185046713 /nfs/dbraw/zinc/04/67/13/185046713.db2.gz AVEFFXMGLNOKQZ-STQMWFEESA-N 1 0 292.448 3.216 50 0 CGAARO CSc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1F ZINC000095967281 185047219 /nfs/dbraw/zinc/04/72/19/185047219.db2.gz CXNIBKIRGVIPRT-JTQLQIEISA-N 1 0 279.384 3.132 50 0 CGAARO Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000095978244 185051631 /nfs/dbraw/zinc/05/16/31/185051631.db2.gz FDLKLJAFARQBQP-SMDDNHRTSA-N 1 0 276.405 3.053 50 0 CGAARO CC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000095986489 185056473 /nfs/dbraw/zinc/05/64/73/185056473.db2.gz CECVAFUPTLAMKU-DOTOQJQBSA-N 1 0 290.407 3.030 50 0 CGAARO Fc1ccc(Cc2cnc([C@H]3CCCC[NH2+]3)o2)cc1 ZINC000096032189 185067711 /nfs/dbraw/zinc/06/77/11/185067711.db2.gz SVQXUSRNJRCCRO-CQSZACIVSA-N 1 0 260.312 3.219 50 0 CGAARO COc1cc2c(cc1OCc1ccccc1)CC[N@H+](C)C2 ZINC000004565982 344860417 /nfs/dbraw/zinc/86/04/17/344860417.db2.gz AOTCQDVTCSQOEW-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccccc1Cl ZINC000022078167 344894574 /nfs/dbraw/zinc/89/45/74/344894574.db2.gz IZHZCEUUWHTUJU-IUODEOHRSA-N 1 0 264.800 3.009 50 0 CGAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000049870795 345075649 /nfs/dbraw/zinc/07/56/49/345075649.db2.gz WKMHORNHIYSUSG-MRXNPFEDSA-N 1 0 277.314 3.130 50 0 CGAARO CC(C)(C)CC[NH+]1CCN(c2cnc3ccccc3n2)CC1 ZINC000084169808 345730570 /nfs/dbraw/zinc/73/05/70/345730570.db2.gz SQSAVEUNPNSIAR-UHFFFAOYSA-N 1 0 298.434 3.188 50 0 CGAARO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000097370703 345907490 /nfs/dbraw/zinc/90/74/90/345907490.db2.gz XZDKFNLJXUBERP-AWEZNQCLSA-N 1 0 297.402 3.494 50 0 CGAARO CCC[NH+]1CCC(Nc2cccc(-c3nccn3C)c2)CC1 ZINC000132273105 346070700 /nfs/dbraw/zinc/07/07/00/346070700.db2.gz KJDNPNARANUOLM-UHFFFAOYSA-N 1 0 298.434 3.373 50 0 CGAARO COC[C@](C)([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000154706722 346150462 /nfs/dbraw/zinc/15/04/62/346150462.db2.gz YUOKFYBYRZWNIB-SFHVURJKSA-N 1 0 295.386 3.214 50 0 CGAARO C[C@@H](CCn1cccn1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000157556949 346161740 /nfs/dbraw/zinc/16/17/40/346161740.db2.gz HXMKAWDOHBJXLI-HIFPTAJRSA-N 1 0 289.345 3.372 50 0 CGAARO OCc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000157930839 346163199 /nfs/dbraw/zinc/16/31/99/346163199.db2.gz JOGWCCFSSWMLGB-UHFFFAOYSA-N 1 0 295.304 3.488 50 0 CGAARO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)O1 ZINC000170608550 346194708 /nfs/dbraw/zinc/19/47/08/346194708.db2.gz MGYBJHYLNKBLJD-FHLIZLRMSA-N 1 0 288.435 3.457 50 0 CGAARO C[N@H+](CC[C@H]1CC1(F)F)Cc1nc2ccccc2[nH]1 ZINC000584886710 346721313 /nfs/dbraw/zinc/72/13/13/346721313.db2.gz HPCDZUNYKXVGHI-JTQLQIEISA-N 1 0 265.307 3.040 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@H]1CCOC1 ZINC000584887701 346721364 /nfs/dbraw/zinc/72/13/64/346721364.db2.gz WZCVTVQTXVEQEZ-LBPRGKRZSA-N 1 0 278.783 3.051 50 0 CGAARO CCn1ccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000091793662 180257651 /nfs/dbraw/zinc/25/76/51/180257651.db2.gz HVYMBAWQMYERMW-UHFFFAOYSA-N 1 0 269.392 3.283 50 0 CGAARO CC(C)[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1[NH+](C)C ZINC000091849162 180270934 /nfs/dbraw/zinc/27/09/34/180270934.db2.gz KKHSZQQEWNAFAU-DLBZAZTESA-N 1 0 286.419 3.451 50 0 CGAARO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccsc1 ZINC000156161868 188246208 /nfs/dbraw/zinc/24/62/08/188246208.db2.gz ZGMIRDFHRRGNNT-LBPRGKRZSA-N 1 0 281.421 3.127 50 0 CGAARO CC[C@@H]([NH2+]CCc1ccnn1CC)c1ccc(F)cc1F ZINC000170616895 188678058 /nfs/dbraw/zinc/67/80/58/188678058.db2.gz IODUMXKUMQPJMU-MRXNPFEDSA-N 1 0 293.361 3.465 50 0 CGAARO C[N@H+](CCc1cccnc1)Cc1cc(F)c(F)c(F)c1 ZINC000180513252 189259801 /nfs/dbraw/zinc/25/98/01/189259801.db2.gz XNVRMSBPISISPE-UHFFFAOYSA-N 1 0 280.293 3.173 50 0 CGAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccoc2)cc1 ZINC000190553215 189568351 /nfs/dbraw/zinc/56/83/51/189568351.db2.gz OZMQNZVDIMJWJD-UHFFFAOYSA-N 1 0 272.348 3.374 50 0 CGAARO CSc1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000216487354 189704368 /nfs/dbraw/zinc/70/43/68/189704368.db2.gz PHVSVLDQYBWQGC-MRXNPFEDSA-N 1 0 290.476 3.469 50 0 CGAARO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000120965275 370817707 /nfs/dbraw/zinc/81/77/07/370817707.db2.gz YBMOSZAAQOANET-JQWIXIFHSA-N 1 0 263.385 3.251 50 0 CGAARO S=c1oc2ccccc2n1CNc1ccccn1 ZINC000000058591 368280031 /nfs/dbraw/zinc/28/00/31/368280031.db2.gz JYLJPFBJVBUHQQ-UHFFFAOYSA-N 1 0 257.318 3.428 50 0 CGAARO C[NH+](C)CCNc1cc(-c2ccncc2)nc2ccccc21 ZINC000000163639 368305739 /nfs/dbraw/zinc/30/57/39/368305739.db2.gz ULQPITQRWIPCEM-UHFFFAOYSA-N 1 0 292.386 3.270 50 0 CGAARO CCC[NH+]1CCC(Nc2ccc3c(c2)CCC3)CC1 ZINC000000182382 368310205 /nfs/dbraw/zinc/31/02/05/368310205.db2.gz ITIVPYOXXVZJAF-UHFFFAOYSA-N 1 0 258.409 3.462 50 0 CGAARO Cc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000000267269 368328277 /nfs/dbraw/zinc/32/82/77/368328277.db2.gz ZBTXVYBPJZGWDX-UHFFFAOYSA-N 1 0 255.317 3.014 50 0 CGAARO OC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000000320034 368340666 /nfs/dbraw/zinc/34/06/66/368340666.db2.gz FCLMXEAPEVBCKQ-UHFFFAOYSA-N 1 0 267.372 3.170 50 0 in-vivo CGAARO C[N@H+](CCOC(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000002180610 368448498 /nfs/dbraw/zinc/44/84/98/368448498.db2.gz WGJZHHKNRDENEN-OUKQBFOZSA-N 1 0 295.382 3.375 50 0 CGAARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccccc1Cl ZINC000001794324 368438834 /nfs/dbraw/zinc/43/88/34/368438834.db2.gz ZNJGVNWNCQAAQZ-ZHACJKMWSA-N 1 0 294.826 3.201 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000002686913 368473171 /nfs/dbraw/zinc/47/31/71/368473171.db2.gz CUDWOFARGHVODJ-SJLPKXTDSA-N 1 0 299.414 3.394 50 0 CGAARO CCCC[N@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000002499198 368457071 /nfs/dbraw/zinc/45/70/71/368457071.db2.gz AUBQCNXKAINHAB-UHFFFAOYSA-N 1 0 260.425 3.383 50 0 CGAARO C[C@@H]([NH2+]CC1OCc2ccccc2CO1)c1ccccc1 ZINC000000203094 296120817 /nfs/dbraw/zinc/12/08/17/296120817.db2.gz KULBLLSSWZJGPL-CQSZACIVSA-N 1 0 283.371 3.410 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000002573302 368466017 /nfs/dbraw/zinc/46/60/17/368466017.db2.gz VFVBZCVQNMHHOL-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000003173766 368495213 /nfs/dbraw/zinc/49/52/13/368495213.db2.gz YSSBJODGIYRAMI-DLBZAZTESA-N 1 0 259.393 3.170 50 0 in-man CGAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1OC(=O)c1ccccc1Cl ZINC000003901929 368523554 /nfs/dbraw/zinc/52/35/54/368523554.db2.gz LGWYXROPIZJPDW-GYSYKLTISA-N 1 0 281.783 3.226 50 0 CGAARO Cc1cccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000005501029 368562870 /nfs/dbraw/zinc/56/28/70/368562870.db2.gz GACKSRBZTVVYDL-LBPRGKRZSA-N 1 0 275.377 3.095 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1C ZINC000004305000 368541778 /nfs/dbraw/zinc/54/17/78/368541778.db2.gz OGZIHNLLDVLFQT-YQQAZPJKSA-N 1 0 291.435 3.306 50 0 CGAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[NH+]1CCCC1)c2=O ZINC000008717411 368575352 /nfs/dbraw/zinc/57/53/52/368575352.db2.gz VOGIMNXQPBMVQP-UHFFFAOYSA-N 1 0 270.376 3.461 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000010384193 368580786 /nfs/dbraw/zinc/58/07/86/368580786.db2.gz XSNYLZBFIFXSNR-WBVHZDCISA-N 1 0 285.387 3.086 50 0 CGAARO CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000010474463 368582365 /nfs/dbraw/zinc/58/23/65/368582365.db2.gz VWALHGHITFHASY-LBPRGKRZSA-N 1 0 269.772 3.007 50 0 CGAARO C[NH+](C)CCCCCCOc1ccc(-n2ccnc2)cc1 ZINC000013588744 368659048 /nfs/dbraw/zinc/65/90/48/368659048.db2.gz FIFQJYUSSPRJIZ-UHFFFAOYSA-N 1 0 287.407 3.373 50 0 in-vitro CGAARO Cc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000015456745 368696475 /nfs/dbraw/zinc/69/64/75/368696475.db2.gz NHJFYILQCWKOEF-KBPBESRZSA-N 1 0 260.406 3.499 50 0 CGAARO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)o1 ZINC000015860210 368704218 /nfs/dbraw/zinc/70/42/18/368704218.db2.gz CADPDLCGZPBBLQ-INIZCTEOSA-N 1 0 298.386 3.155 50 0 CGAARO CC(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000017113689 368727228 /nfs/dbraw/zinc/72/72/28/368727228.db2.gz QNSBSCHYLDGUAS-INIZCTEOSA-N 1 0 277.408 3.082 50 0 CGAARO CCCc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000016605109 368716930 /nfs/dbraw/zinc/71/69/30/368716930.db2.gz MBIIVUABTAINBV-UHFFFAOYSA-N 1 0 288.435 3.242 50 0 CGAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000013856406 368670086 /nfs/dbraw/zinc/67/00/86/368670086.db2.gz KFAHOWZDCJPYIV-ZBFHGGJFSA-N 1 0 291.366 3.247 50 0 CGAARO Cc1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000014631367 368683051 /nfs/dbraw/zinc/68/30/51/368683051.db2.gz LSEHVYIJEZGXFV-NSHDSACASA-N 1 0 284.197 3.136 50 0 CGAARO CC1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019636348 368758550 /nfs/dbraw/zinc/75/85/50/368758550.db2.gz NQSPKVYZKSVGCG-UHFFFAOYSA-N 1 0 272.436 3.383 50 0 CGAARO c1coc(C[NH2+][C@@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000019771111 368764765 /nfs/dbraw/zinc/76/47/65/368764765.db2.gz VGWBPGXNMWBIFN-GOSISDBHSA-N 1 0 298.430 3.466 50 0 CGAARO c1ccc(CCCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019831793 368768142 /nfs/dbraw/zinc/76/81/42/368768142.db2.gz CTBUJXLGYGTTNV-UHFFFAOYSA-N 1 0 272.436 3.179 50 0 CGAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019229276 368745719 /nfs/dbraw/zinc/74/57/19/368745719.db2.gz UATYHJJQADRCIT-MRXNPFEDSA-N 1 0 299.418 3.360 50 0 CGAARO CC[C@@H](C)c1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000020118716 368804216 /nfs/dbraw/zinc/80/42/16/368804216.db2.gz YMUJKVDHPFDDKT-MRXNPFEDSA-N 1 0 290.451 3.216 50 0 CGAARO CCN1c2cc(C)ccc2-n2cccc2C12CC[NH2+]CC2 ZINC000021782352 368809766 /nfs/dbraw/zinc/80/97/66/368809766.db2.gz RXMUDCZHMQISJE-UHFFFAOYSA-N 1 0 281.403 3.204 50 0 CGAARO CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000022852473 368812804 /nfs/dbraw/zinc/81/28/04/368812804.db2.gz PZUUYBBJVKYPEQ-KRWDZBQOSA-N 1 0 288.435 3.146 50 0 CGAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000023280775 368819984 /nfs/dbraw/zinc/81/99/84/368819984.db2.gz SJTMOGBUXNZXMN-INIZCTEOSA-N 1 0 283.371 3.436 50 0 CGAARO CC[NH+](CC)CCNc1cccc(C(F)(F)F)c1 ZINC000020042305 368795241 /nfs/dbraw/zinc/79/52/41/368795241.db2.gz VOELOYNDQAIWOE-UHFFFAOYSA-N 1 0 260.303 3.459 50 0 CGAARO CC[NH+](CC)CCNc1nc2c(cccc2F)s1 ZINC000026424022 368857859 /nfs/dbraw/zinc/85/78/59/368857859.db2.gz QKZCKCMQLZTICU-UHFFFAOYSA-N 1 0 267.373 3.189 50 0 CGAARO CC(C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664377 368874640 /nfs/dbraw/zinc/87/46/40/368874640.db2.gz GGBOZXLLJUEOKQ-AWEZNQCLSA-N 1 0 294.464 3.437 50 0 CGAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000030640817 368905155 /nfs/dbraw/zinc/90/51/55/368905155.db2.gz BFPJPGACVHUYCW-CYBMUJFWSA-N 1 0 283.375 3.281 50 0 CGAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cnc1N ZINC000032516137 368934138 /nfs/dbraw/zinc/93/41/38/368934138.db2.gz VOOZMBUIGFDPFS-CQSZACIVSA-N 1 0 297.402 3.032 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C)c(C)c1 ZINC000032581848 368936673 /nfs/dbraw/zinc/93/66/73/368936673.db2.gz OCBSYVLVUYVYTD-GJZGRUSLSA-N 1 0 279.424 3.067 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C)c(C)c1 ZINC000032581843 368936784 /nfs/dbraw/zinc/93/67/84/368936784.db2.gz OCBSYVLVUYVYTD-HUUCEWRRSA-N 1 0 279.424 3.067 50 0 CGAARO C[C@@H](c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000032879571 368948960 /nfs/dbraw/zinc/94/89/60/368948960.db2.gz UEQZMHWGNPGBSY-ZDUSSCGKSA-N 1 0 273.405 3.026 50 0 CGAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000032911512 368952488 /nfs/dbraw/zinc/95/24/88/368952488.db2.gz BAMMMIZQZQKORX-SFHVURJKSA-N 1 0 294.398 3.081 50 0 CGAARO c1coc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000039466721 369150832 /nfs/dbraw/zinc/15/08/32/369150832.db2.gz JFEMCXQHGFPPDW-QGZVFWFLSA-N 1 0 296.414 3.001 50 0 CGAARO FC(F)(F)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772433 369231098 /nfs/dbraw/zinc/23/10/98/369231098.db2.gz FSSHKVUDCGNFFO-LLVKDONJSA-N 1 0 273.298 3.474 50 0 CGAARO Cc1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042770625 369231199 /nfs/dbraw/zinc/23/11/99/369231199.db2.gz DZSYANIMFUCFIM-UHFFFAOYSA-N 1 0 253.773 3.417 50 0 CGAARO O=C(NCCCCCCC[NH+]1CCCC1)c1ccco1 ZINC000048289642 369340043 /nfs/dbraw/zinc/34/00/43/369340043.db2.gz BLBFZKKZKPOKTD-UHFFFAOYSA-N 1 0 278.396 3.056 50 0 CGAARO C(=C/c1ccccc1)\C[NH2+]Cc1nc2ccccc2[nH]1 ZINC000057353407 369536263 /nfs/dbraw/zinc/53/62/63/369536263.db2.gz IYSDBMRRRHMXKF-RMKNXTFCSA-N 1 0 263.344 3.366 50 0 CGAARO Cc1ccc([C@](O)(CC[NH2+]C2CCCC2)C(F)(F)F)o1 ZINC000058048171 369553077 /nfs/dbraw/zinc/55/30/77/369553077.db2.gz NMUZDHKTFXXBDU-CYBMUJFWSA-N 1 0 291.313 3.260 50 0 CGAARO Cc1nc(C[NH2+][C@H](C)COc2ccccc2)cs1 ZINC000065374069 369670923 /nfs/dbraw/zinc/67/09/23/369670923.db2.gz MKCDBSZBCITBDQ-LLVKDONJSA-N 1 0 262.378 3.009 50 0 CGAARO Cc1cccc(C[N@@H+](C)[C@@H](C)Cc2ncccc2C)n1 ZINC000065372096 369668918 /nfs/dbraw/zinc/66/89/18/369668918.db2.gz ZEFIQJAOGHDACO-HNNXBMFYSA-N 1 0 269.392 3.156 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000066972346 369708739 /nfs/dbraw/zinc/70/87/39/369708739.db2.gz BQRHIGWYYVPRJW-IUODEOHRSA-N 1 0 288.416 3.467 50 0 CGAARO Oc1ccc(Cl)cc1-c1ccn(-c2cc[nH+]cc2)n1 ZINC000065526111 369681178 /nfs/dbraw/zinc/68/11/78/369681178.db2.gz UFWDKEHEQWUWRC-UHFFFAOYSA-N 1 0 271.707 3.293 50 0 CGAARO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)C1=CCCCC1 ZINC000065528552 369682808 /nfs/dbraw/zinc/68/28/08/369682808.db2.gz OSJRTVBBAJNDFA-AWEZNQCLSA-N 1 0 278.440 3.304 50 0 CGAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ncc[nH]1 ZINC000067668283 369724321 /nfs/dbraw/zinc/72/43/21/369724321.db2.gz WWPUNSOFTJRDMA-HNNXBMFYSA-N 1 0 298.434 3.074 50 0 CGAARO CCc1csc(CN[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000067741924 369727414 /nfs/dbraw/zinc/72/74/14/369727414.db2.gz RWJMMTOJBPZRLM-ZDUSSCGKSA-N 1 0 281.469 3.060 50 0 CGAARO Cc1noc(CCC[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000078970956 369957224 /nfs/dbraw/zinc/95/72/24/369957224.db2.gz GYYFYEHCMDWJGI-SNVBAGLBSA-N 1 0 295.333 3.282 50 0 CGAARO CC[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CC[N@@H+]1C(C)C ZINC000082135175 370000246 /nfs/dbraw/zinc/00/02/46/370000246.db2.gz IYIMHZPFWCMVAC-INIZCTEOSA-N 1 0 299.418 3.113 50 0 CGAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cc(F)ccc1F)CCC2 ZINC000084257756 370012272 /nfs/dbraw/zinc/01/22/72/370012272.db2.gz PTVIMPKBUYQTEA-LBPRGKRZSA-N 1 0 291.345 3.137 50 0 CGAARO C[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000084697535 370015246 /nfs/dbraw/zinc/01/52/46/370015246.db2.gz XGZTXHQPHNAQAE-JTQLQIEISA-N 1 0 263.366 3.030 50 0 CGAARO c1ccc2c(c1)CC[C@@]21C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000088745176 370036313 /nfs/dbraw/zinc/03/63/13/370036313.db2.gz KNMOQTNSJQRXJG-AEFFLSMTSA-N 1 0 264.372 3.075 50 0 CGAARO CC[C@@H](COC)[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000090118318 370055171 /nfs/dbraw/zinc/05/51/71/370055171.db2.gz ZHNJWFJVSXPUJW-OLZOCXBDSA-N 1 0 275.396 3.132 50 0 CGAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532261 370061943 /nfs/dbraw/zinc/06/19/43/370061943.db2.gz AEHDOJTUQAXDDM-JQWIXIFHSA-N 1 0 261.369 3.155 50 0 CGAARO Cc1cc(C[C@H](C)[NH2+][C@H]2CCSc3ccccc32)[nH]n1 ZINC000090528045 370062412 /nfs/dbraw/zinc/06/24/12/370062412.db2.gz GHZPKDDZQIWUFR-NHYWBVRUSA-N 1 0 287.432 3.476 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000089895760 370050958 /nfs/dbraw/zinc/05/09/58/370050958.db2.gz HUHSPNAWPQXJHW-DOTOQJQBSA-N 1 0 283.419 3.371 50 0 CGAARO CCSC1(C[NH2+]Cc2ccc(CC)o2)CCOCC1 ZINC000095415507 370185422 /nfs/dbraw/zinc/18/54/22/370185422.db2.gz GMYBKJCUJHNBOW-UHFFFAOYSA-N 1 0 283.437 3.234 50 0 CGAARO CSCC[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000093509646 370139335 /nfs/dbraw/zinc/13/93/35/370139335.db2.gz RCHZZNWJAROMEG-UHFFFAOYSA-N 1 0 256.440 3.205 50 0 CGAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cncnc2)cc1C ZINC000097108657 370226224 /nfs/dbraw/zinc/22/62/24/370226224.db2.gz VEFSPNZBVRWNSA-INIZCTEOSA-N 1 0 283.375 3.131 50 0 CGAARO CCc1nc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cs1 ZINC000097374473 370239210 /nfs/dbraw/zinc/23/92/10/370239210.db2.gz DCWZHLXVIOKKQU-HZMBPMFUSA-N 1 0 294.395 3.229 50 0 CGAARO COCC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000097529024 370245426 /nfs/dbraw/zinc/24/54/26/370245426.db2.gz 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C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237497266 376746639 /nfs/dbraw/zinc/74/66/39/376746639.db2.gz NEHZMYDDRWUEHV-IUODEOHRSA-N 1 0 290.382 3.007 50 0 CGAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCSCC1 ZINC000243919611 376788872 /nfs/dbraw/zinc/78/88/72/376788872.db2.gz BPSFGCNWEMJALA-UHFFFAOYSA-N 1 0 298.839 3.026 50 0 CGAARO CC1=CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000560533320 377166394 /nfs/dbraw/zinc/16/63/94/377166394.db2.gz BZXRFTDSLGRHTB-UONOGXRCSA-N 1 0 288.366 3.019 50 0 CGAARO CC(C)[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccn1 ZINC000252486542 377628119 /nfs/dbraw/zinc/62/81/19/377628119.db2.gz LEIIREHYWVUGNE-SLBVQIDZSA-N 1 0 274.408 3.182 50 0 CGAARO C[N@H+](CCCc1cccnc1)[C@H](c1ccccn1)C1CC1 ZINC000252485492 377628532 /nfs/dbraw/zinc/62/85/32/377628532.db2.gz GWPATNHGZGWJRT-SFHVURJKSA-N 1 0 281.403 3.492 50 0 CGAARO C[N@H+](CCCc1ccco1)C[C@H]1Cc2ccccc2O1 ZINC000252490394 377631215 /nfs/dbraw/zinc/63/12/15/377631215.db2.gz KSMZOHDSPOESLZ-MRXNPFEDSA-N 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CC(=O)c1cccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004841740 170028419 /nfs/dbraw/zinc/02/84/19/170028419.db2.gz VVYNWWQREPVHQQ-KBPBESRZSA-N 1 0 275.392 3.246 50 0 CGAARO CC(C)(C)c1cccc(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000004868759 170033914 /nfs/dbraw/zinc/03/39/14/170033914.db2.gz SIWHVKSXNQVHSU-MRXNPFEDSA-N 1 0 277.408 3.132 50 0 CGAARO CCCCOc1cccc(OCCC[NH+](C)C)c1 ZINC000004869022 170034052 /nfs/dbraw/zinc/03/40/52/170034052.db2.gz HDPADCMJCYPDMW-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(F)cc2)C1 ZINC000004912945 170040280 /nfs/dbraw/zinc/04/02/80/170040280.db2.gz FAGAYSIDJCCGET-CHWSQXEVSA-N 1 0 251.345 3.182 50 0 CGAARO Cc1ccsc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005019760 170056596 /nfs/dbraw/zinc/05/65/96/170056596.db2.gz PHSHHUIIIZQHAG-UHFFFAOYSA-N 1 0 261.346 3.075 50 0 CGAARO [NH3+]CCCN1c2ccccc2CCc2ccccc21 ZINC000005162684 170072643 /nfs/dbraw/zinc/07/26/43/170072643.db2.gz XJWJQDZWUYUIEM-UHFFFAOYSA-N 1 0 252.361 3.272 50 0 in-vitro CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000005253853 170079943 /nfs/dbraw/zinc/07/99/43/170079943.db2.gz MOCMHAKOWJIMEH-TXEJJXNPSA-N 1 0 288.366 3.468 50 0 CGAARO C[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000005307474 170084779 /nfs/dbraw/zinc/08/47/79/170084779.db2.gz UFBFSPNZFUTWKH-UHFFFAOYSA-N 1 0 292.766 3.042 50 0 CGAARO Cc1ccc(C)c(C(=O)CN2Cc3ccccc3C2=[NH2+])c1 ZINC000005538150 170110482 /nfs/dbraw/zinc/11/04/82/170110482.db2.gz WQXRJZIKXUMAFA-UHFFFAOYSA-N 1 0 278.355 3.327 50 0 CGAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000005556897 170112768 /nfs/dbraw/zinc/11/27/68/170112768.db2.gz VIHLCKGJMDFQGC-LBPRGKRZSA-N 1 0 256.349 3.225 50 0 CGAARO CCCC[NH2+]CCOCCOc1cc(C)cc(C)c1C ZINC000005596700 170117708 /nfs/dbraw/zinc/11/77/08/170117708.db2.gz CACOVGBSBDCCCF-UHFFFAOYSA-N 1 0 279.424 3.397 50 0 CGAARO CC(C)(CNC(=S)NC1CCCCC1)[NH+]1CCCCC1 ZINC000006906518 170254632 /nfs/dbraw/zinc/25/46/32/170254632.db2.gz BEJBDCQZVBTQFN-UHFFFAOYSA-N 1 0 297.512 3.048 50 0 CGAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000007813398 170304202 /nfs/dbraw/zinc/30/42/02/170304202.db2.gz HVJKNDUEEXRYII-ABAIWWIYSA-N 1 0 288.372 3.014 50 0 CGAARO Cc1cc(C)cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000008593693 170342301 /nfs/dbraw/zinc/34/23/01/170342301.db2.gz VGPWQCBBBOQWEW-MRXNPFEDSA-N 1 0 287.407 3.005 50 0 CGAARO C1=C/C(=C2\NN=C(SCCCc3ccccc3)O2)[NH+]=C1 ZINC000009500895 170379276 /nfs/dbraw/zinc/37/92/76/170379276.db2.gz NWYQHBODLGNQJF-YPKPFQOOSA-N 1 0 285.372 3.053 50 0 CGAARO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1ccccc1 ZINC000010093089 170397360 /nfs/dbraw/zinc/39/73/60/170397360.db2.gz KOABVILJRSADIG-UHFFFAOYSA-N 1 0 286.400 3.135 50 0 CGAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000014631165 170640049 /nfs/dbraw/zinc/64/00/49/170640049.db2.gz HVPULUXDBDKPDZ-VIFPVBQESA-N 1 0 260.164 3.372 50 0 CGAARO CCc1cc2c(C[NH2+]C(C)(C)CC)cc(=O)oc2cc1O ZINC000018940124 170751149 /nfs/dbraw/zinc/75/11/49/170751149.db2.gz AFYUZPNUMQKIEC-UHFFFAOYSA-N 1 0 289.375 3.339 50 0 CGAARO COc1ccc(CC[NH2+]Cc2cccs2)cc1OC ZINC000019560649 170827220 /nfs/dbraw/zinc/82/72/20/170827220.db2.gz DLTWANYLDILFCK-UHFFFAOYSA-N 1 0 277.389 3.098 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020253295 171106043 /nfs/dbraw/zinc/10/60/43/171106043.db2.gz VPXTUMDCQVMWEA-GFCCVEGCSA-N 1 0 258.365 3.402 50 0 CGAARO CC[C@@H](C)c1ccccc1OCCCCN1CC[NH2+]CC1 ZINC000020272581 171127614 /nfs/dbraw/zinc/12/76/14/171127614.db2.gz PGLGPHADCKPJSS-MRXNPFEDSA-N 1 0 290.451 3.264 50 0 CGAARO CCN1CC[NH+](CCCCOc2ccc(C)cc2C)CC1 ZINC000020324342 171150944 /nfs/dbraw/zinc/15/09/44/171150944.db2.gz WDLAINUYHAWXBB-UHFFFAOYSA-N 1 0 290.451 3.100 50 0 CGAARO CN(C)CC[NH2+]CCOc1ccc(Cl)c2ccccc12 ZINC000020418841 171183754 /nfs/dbraw/zinc/18/37/54/171183754.db2.gz ODNVXZWRUCLYJI-UHFFFAOYSA-N 1 0 292.810 3.023 50 0 CGAARO Cc1nc(-c2ccccc2)[nH]c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000020684647 171269926 /nfs/dbraw/zinc/26/99/26/171269926.db2.gz GACJGAIENZOOPJ-MRXNPFEDSA-N 1 0 299.418 3.386 50 0 CGAARO Fc1ccc(C[C@@H]2C[N@@H+](C3CCCC3)CCO2)cc1 ZINC000020993466 171283680 /nfs/dbraw/zinc/28/36/80/171283680.db2.gz DPTVIKKQOQCWOX-MRXNPFEDSA-N 1 0 263.356 3.012 50 0 CGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000021670683 171319161 /nfs/dbraw/zinc/31/91/61/171319161.db2.gz PWMGLQXNLNSDGX-OLZOCXBDSA-N 1 0 294.826 3.077 50 0 CGAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000021720928 171320948 /nfs/dbraw/zinc/32/09/48/171320948.db2.gz RNXHOGPJQBCYJR-AWEZNQCLSA-N 1 0 271.364 3.278 50 0 CGAARO Cc1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)on1 ZINC000284941116 196160664 /nfs/dbraw/zinc/16/06/64/196160664.db2.gz YSUPZIGGORMTCS-UHFFFAOYSA-N 1 0 254.333 3.272 50 0 CGAARO COc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000035539903 172246335 /nfs/dbraw/zinc/24/63/35/172246335.db2.gz IQQXLSODJFFWOV-YVMONPNESA-N 1 0 253.345 3.498 50 0 CGAARO c1cc([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)n[nH]1 ZINC000285706237 196372941 /nfs/dbraw/zinc/37/29/41/196372941.db2.gz CZZREFZKSYKAOJ-MRXNPFEDSA-N 1 0 278.359 3.295 50 0 CGAARO CCc1ccccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000040103448 174190705 /nfs/dbraw/zinc/19/07/05/174190705.db2.gz HEVQDYACKQRDFH-ZDUSSCGKSA-N 1 0 277.412 3.101 50 0 CGAARO c1ccc(-c2ccc(COC[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000042772004 174871528 /nfs/dbraw/zinc/87/15/28/174871528.db2.gz YOWSQZRFNCTBJG-MRXNPFEDSA-N 1 0 267.372 3.480 50 0 CGAARO Brc1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773883 174872512 /nfs/dbraw/zinc/87/25/12/174872512.db2.gz GVJFJVMWZYSMLD-LBPRGKRZSA-N 1 0 298.224 3.355 50 0 CGAARO C[C@H](C1CC1)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000044906977 175274853 /nfs/dbraw/zinc/27/48/53/175274853.db2.gz MXWGVXIQJPPJQX-SECBINFHSA-N 1 0 263.366 3.028 50 0 CGAARO CC(C)C[NH+](Cc1nc(C2CC2)no1)CC(C)C ZINC000046781193 175399003 /nfs/dbraw/zinc/39/90/03/175399003.db2.gz OUIGZYAJGHCYAD-UHFFFAOYSA-N 1 0 251.374 3.061 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cc(C)nc3ccccc23)c1 ZINC000069484700 175832945 /nfs/dbraw/zinc/83/29/45/175832945.db2.gz LSONLYQVECOULW-HNNXBMFYSA-N 1 0 294.402 3.226 50 0 CGAARO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000071401354 176153388 /nfs/dbraw/zinc/15/33/88/176153388.db2.gz SHRGGRWNAKXOLO-MRXNPFEDSA-N 1 0 286.350 3.269 50 0 CGAARO CS[C@H](C)CC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000072170011 176332093 /nfs/dbraw/zinc/33/20/93/176332093.db2.gz ALMSBYLDWCLNOA-CQSZACIVSA-N 1 0 289.448 3.446 50 0 CGAARO CCCc1ccc(C[NH+]2CC(c3cccnc3)C2)o1 ZINC000072169285 176332454 /nfs/dbraw/zinc/33/24/54/176332454.db2.gz OHTUAQSDVKSEGE-UHFFFAOYSA-N 1 0 256.349 3.227 50 0 CGAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cc(CC(C)C)n[nH]1 ZINC000077323713 177253169 /nfs/dbraw/zinc/25/31/69/177253169.db2.gz QUGFDOLXZQBDOP-QGZVFWFLSA-N 1 0 293.455 3.389 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000048313910 416447637 /nfs/dbraw/zinc/44/76/37/416447637.db2.gz ARAWMLKFYKMVAO-DOTOQJQBSA-N 1 0 292.467 3.290 50 0 CGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000685939696 544110276 /nfs/dbraw/zinc/11/02/76/544110276.db2.gz XSLQAIBXVGYWQJ-CWRNSKLLSA-N 1 0 287.403 3.184 50 0 CGAARO CC(C)[C@@H](C[NH2+][C@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711977 419073473 /nfs/dbraw/zinc/07/34/73/419073473.db2.gz KVFBSYQUUQQHDJ-DLBZAZTESA-N 1 0 298.434 3.444 50 0 CGAARO Brc1ccc2c(c1)[nH]cc2C1CC[NH2+]CC1 ZINC000026894289 273475046 /nfs/dbraw/zinc/47/50/46/273475046.db2.gz CSMNSCJVFXGQAY-UHFFFAOYSA-N 1 0 279.181 3.397 50 0 CGAARO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccncc2)cc1 ZINC000095984342 274881866 /nfs/dbraw/zinc/88/18/66/274881866.db2.gz NJXBHDMKGUZGOU-CVEARBPZSA-N 1 0 288.778 3.355 50 0 CGAARO [NH3+]C[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000299788051 274950203 /nfs/dbraw/zinc/95/02/03/274950203.db2.gz UUKQRRZCKAKGHR-NSHDSACASA-N 1 0 265.765 3.331 50 0 CGAARO OC1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000019918469 275045155 /nfs/dbraw/zinc/04/51/55/275045155.db2.gz YNFLFAGDJCYFIX-UHFFFAOYSA-N 1 0 273.298 3.099 50 0 CGAARO c1ccc2c(c1)C[C@@H](Cc1ccc3c(c1)C[NH2+]CC3)CO2 ZINC000091468610 275070304 /nfs/dbraw/zinc/07/03/04/275070304.db2.gz IAECSLZIZKWMHG-OAHLLOKOSA-N 1 0 279.383 3.126 50 0 CGAARO Brc1ccc(-c2csc3[n+]2CCC3)cc1 ZINC000003199988 275368687 /nfs/dbraw/zinc/36/86/87/275368687.db2.gz XAASQXLBFIOURY-UHFFFAOYSA-N 1 0 281.198 3.411 50 0 CGAARO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000095968108 275534187 /nfs/dbraw/zinc/53/41/87/275534187.db2.gz OFORJAQZVLJMQJ-YJYMSZOUSA-N 1 0 297.489 3.360 50 0 CGAARO CCC(CC)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082108896 275956629 /nfs/dbraw/zinc/95/66/29/275956629.db2.gz SMJSKNZQECRZMP-UHFFFAOYSA-N 1 0 287.407 3.074 50 0 CGAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000000758896 277336106 /nfs/dbraw/zinc/33/61/06/277336106.db2.gz BFQCMDCVDDESNJ-GJZGRUSLSA-N 1 0 267.800 3.430 50 0 CGAARO COc1ccc(-c2c[n+]3cc(Cl)ccc3n2C)cc1 ZINC000020031139 277859431 /nfs/dbraw/zinc/85/94/31/277859431.db2.gz SNAWRUZVZNMYIP-UHFFFAOYSA-N 1 0 273.743 3.093 50 0 CGAARO Cc1c2cc(C)ccc2oc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000067842112 280262678 /nfs/dbraw/zinc/26/26/78/280262678.db2.gz AZZFSQPTFOTLMF-HNNXBMFYSA-N 1 0 267.332 3.008 50 0 CGAARO Cc1cccc(NC[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)[nH+]1 ZINC000097163421 281245967 /nfs/dbraw/zinc/24/59/67/281245967.db2.gz INURNGOGUWZDRO-QAPCUYQASA-N 1 0 295.386 3.022 50 0 CGAARO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCC(O)CC1)CCCO2 ZINC000090800320 301211590 /nfs/dbraw/zinc/21/15/90/301211590.db2.gz ZGBDTXQXDGCNPY-VMBOVVBDSA-N 1 0 289.419 3.410 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(C(C)C)on1 ZINC000534578894 328311105 /nfs/dbraw/zinc/31/11/05/328311105.db2.gz LFCZECJFDURGES-NSHDSACASA-N 1 0 254.374 3.091 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1nc2cc(OC)ccc2o1 ZINC000534580327 328311457 /nfs/dbraw/zinc/31/14/57/328311457.db2.gz RURNTTHQQLXOPN-SNVBAGLBSA-N 1 0 280.393 3.068 50 0 CGAARO Cc1nccn1C[C@H](C)[NH2+]C1(Cc2cccc(C)c2)CC1 ZINC000534657454 328340765 /nfs/dbraw/zinc/34/07/65/328340765.db2.gz FIBBVGFGKBIMPX-HNNXBMFYSA-N 1 0 283.419 3.253 50 0 CGAARO Fc1cccc(C2(C[NH2+][C@@H]3CCCOC3)CCCC2)c1 ZINC000534668505 328346294 /nfs/dbraw/zinc/34/62/94/328346294.db2.gz QNZULVWVQQRREG-MRXNPFEDSA-N 1 0 277.383 3.406 50 0 CGAARO Fc1cccc(C2(C[NH2+][C@H]3CCOC3)CCCC2)c1 ZINC000534676025 328356167 /nfs/dbraw/zinc/35/61/67/328356167.db2.gz GWYCLZCKSYIXHQ-HNNXBMFYSA-N 1 0 263.356 3.016 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@@H](C)[C@H]3CCOC3)ccc2n1 ZINC000097862074 534469251 /nfs/dbraw/zinc/46/92/51/534469251.db2.gz FLGYDXSIIOHHKA-BBRMVZONSA-N 1 0 270.376 3.058 50 0 CGAARO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194942823 534813908 /nfs/dbraw/zinc/81/39/08/534813908.db2.gz XPMXERUNQHAHPQ-GFCCVEGCSA-N 1 0 287.407 3.026 50 0 CGAARO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000083689584 566862529 /nfs/dbraw/zinc/86/25/29/566862529.db2.gz MKBXZIVPHYQFKK-HNNXBMFYSA-N 1 0 298.386 3.088 50 0 CGAARO Cc1cc([C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)[nH]n1 ZINC000084111418 567029167 /nfs/dbraw/zinc/02/91/67/567029167.db2.gz WIAVTJILLXLLLX-ZDUSSCGKSA-N 1 0 296.374 3.239 50 0 CGAARO C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000033640300 570404745 /nfs/dbraw/zinc/40/47/45/570404745.db2.gz YZPVTFSJDLMIEM-HNNXBMFYSA-N 1 0 296.414 3.109 50 0 CGAARO CCCN1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000952984492 614676273 /nfs/dbraw/zinc/67/62/73/614676273.db2.gz UWMWVCIMQQKRBD-INIZCTEOSA-N 1 0 271.408 3.132 50 0 CGAARO Cc1ccc(OCCCC[NH2+]CCO)c(C(C)(C)C)c1 ZINC000002932534 618660239 /nfs/dbraw/zinc/66/02/39/618660239.db2.gz LOTQYNHOEOBRAI-UHFFFAOYSA-N 1 0 279.424 3.033 50 0 CGAARO CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(OC)cn1 ZINC000888098692 619260554 /nfs/dbraw/zinc/26/05/54/619260554.db2.gz OSHUBLFTWBXSBR-GFCCVEGCSA-N 1 0 277.393 3.096 50 0 CGAARO Cc1nc(C)c(C[NH2+]Cc2cccc3occc32)o1 ZINC000888100607 619260963 /nfs/dbraw/zinc/26/09/63/619260963.db2.gz SEMXNIVDJZFBLL-UHFFFAOYSA-N 1 0 256.305 3.327 50 0 CGAARO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000082503045 640582744 /nfs/dbraw/zinc/58/27/44/640582744.db2.gz CXBMSEJLIFIHLX-HNNXBMFYSA-N 1 0 254.333 3.003 50 0 CGAARO O=C1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]12 ZINC000016156112 641002708 /nfs/dbraw/zinc/00/27/08/641002708.db2.gz SSZYQCXXLLYBFN-ZWKOTPCHSA-N 1 0 277.367 3.489 50 0 CGAARO CCC[NH+]1CCC(N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000019225164 641034552 /nfs/dbraw/zinc/03/45/52/641034552.db2.gz SPYOJILYLIZJDW-JKSUJKDBSA-N 1 0 264.457 3.373 50 0 CGAARO CO[C@H]1CCC12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000581803929 799675030 /nfs/dbraw/zinc/67/50/30/799675030.db2.gz WNHNQSGNSUEUKL-INIZCTEOSA-N 1 0 259.393 3.386 50 0 CGAARO c1csc(CC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000711913660 800081022 /nfs/dbraw/zinc/08/10/22/800081022.db2.gz UTCFCZNFEWNYBW-UKRRQHHQSA-N 1 0 265.422 3.085 50 0 CGAARO C[C@@H]([NH2+]C1CSCCSC1)C1=CCCCC1 ZINC000820723400 800455038 /nfs/dbraw/zinc/45/50/38/800455038.db2.gz VNHOBYAVJNAXMD-LLVKDONJSA-N 1 0 257.468 3.314 50 0 CGAARO CC(C)=CC[NH+]1CCC(O)(c2cccc3cnccc32)CC1 ZINC000952884312 800687305 /nfs/dbraw/zinc/68/73/05/800687305.db2.gz XNXRUXAVILTFAY-UHFFFAOYSA-N 1 0 296.414 3.484 50 0 CGAARO C[C@H](C[NH+]1CCCCCC1)NCc1nc2ccccc2o1 ZINC001506406460 937989852 /nfs/dbraw/zinc/98/98/52/937989852.db2.gz IYHLDTIGRNHIIO-CQSZACIVSA-N 1 0 287.407 3.182 50 0 CGAARO Cc1nnc(NC[C@H]2CCC[N@H+]2C(C)C)c2ccccc12 ZINC001506422049 937990082 /nfs/dbraw/zinc/99/00/82/937990082.db2.gz NUSTULOANHHARY-CQSZACIVSA-N 1 0 284.407 3.223 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)c1ncccc1Cl ZINC001529139733 938071181 /nfs/dbraw/zinc/07/11/81/938071181.db2.gz QSZAMVOSGYVVHR-UHFFFAOYSA-N 1 0 267.804 3.046 50 0 CGAARO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000096478819 230379950 /nfs/dbraw/zinc/37/99/50/230379950.db2.gz WYQFKZPVCWYQPC-RYUDHWBXSA-N 1 0 283.362 3.473 50 0 CGAARO CC(C)c1nnc(C[NH2+][C@H]2CCCC23CCOCC3)s1 ZINC000337390391 214047935 /nfs/dbraw/zinc/04/79/35/214047935.db2.gz NGVAVTDEAIHIJO-LBPRGKRZSA-N 1 0 295.452 3.100 50 0 CGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000097742991 230387088 /nfs/dbraw/zinc/38/70/88/230387088.db2.gz BGYDTCLNZXHWQL-CYBMUJFWSA-N 1 0 292.810 3.477 50 0 CGAARO COc1cccc(OC)c1OCCC[NH2+]C1CCCC1 ZINC000002845216 230367559 /nfs/dbraw/zinc/36/75/59/230367559.db2.gz YXSIHCYILZAGGO-UHFFFAOYSA-N 1 0 279.380 3.005 50 0 CGAARO C[C@H](C[NH2+]C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000187623407 230395939 /nfs/dbraw/zinc/39/59/39/230395939.db2.gz BSWKJXQJFADSNZ-GFCCVEGCSA-N 1 0 266.816 3.127 50 0 CGAARO C[NH+](C)CCn1cc(-c2ccc(F)cc2)c(-n2cccc2)n1 ZINC000095921412 185031750 /nfs/dbraw/zinc/03/17/50/185031750.db2.gz ZCQVHVWVDAEXBJ-UHFFFAOYSA-N 1 0 298.365 3.042 50 0 in-vitro CGAARO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCOCC1 ZINC000095967355 185046241 /nfs/dbraw/zinc/04/62/41/185046241.db2.gz RZHXVRZFEXCIMI-NSHDSACASA-N 1 0 298.224 3.149 50 0 CGAARO Cc1cnc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)o1 ZINC000095984746 185055306 /nfs/dbraw/zinc/05/53/06/185055306.db2.gz ZBZRPEMLJVULPU-CYBMUJFWSA-N 1 0 258.365 3.439 50 0 CGAARO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1 ZINC000095986411 185056820 /nfs/dbraw/zinc/05/68/20/185056820.db2.gz PHYWEKZWSGHWCD-OAHLLOKOSA-N 1 0 268.360 3.080 50 0 CGAARO C[C@H](c1nc2ccccc2o1)[N@H+](C)CCc1ccccn1 ZINC000095994234 185059082 /nfs/dbraw/zinc/05/90/82/185059082.db2.gz SDDWAROJQSQSHX-CYBMUJFWSA-N 1 0 281.359 3.458 50 0 CGAARO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccccc1F ZINC000083093106 178338326 /nfs/dbraw/zinc/33/83/26/178338326.db2.gz LRLNVYSRGXJZHG-GFCCVEGCSA-N 1 0 298.427 3.228 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000059917765 282261685 /nfs/dbraw/zinc/26/16/85/282261685.db2.gz RFJBVHKPXTWOIR-UHFFFAOYSA-N 1 0 297.324 3.346 50 0 CGAARO CC[C@@H]1C[N@H+](CC(C)C)Cc2cc(OC)ccc2O1 ZINC000012162163 344879302 /nfs/dbraw/zinc/87/93/02/344879302.db2.gz URFKOBXYPHHVOJ-CQSZACIVSA-N 1 0 263.381 3.324 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCCCC2)cc1C ZINC000016666933 344886832 /nfs/dbraw/zinc/88/68/32/344886832.db2.gz OSVIPOUOVPUYTI-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc2ccc(Cl)cc12 ZINC000023634571 344898339 /nfs/dbraw/zinc/89/83/39/344898339.db2.gz UFHNKRWHPMOGBP-UHFFFAOYSA-N 1 0 289.810 3.339 50 0 CGAARO c1csc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)n1 ZINC000097081007 185523450 /nfs/dbraw/zinc/52/34/50/185523450.db2.gz COLPDJYFMSVLJK-CYBMUJFWSA-N 1 0 277.437 3.058 50 0 CGAARO CO[C@@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000066973975 345311142 /nfs/dbraw/zinc/31/11/42/345311142.db2.gz CPKOIFOJQZPOAQ-KRWDZBQOSA-N 1 0 295.386 3.051 50 0 CGAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C2)C[C@H]2CCCC[N@@H+]21 ZINC000071772324 345404904 /nfs/dbraw/zinc/40/49/04/345404904.db2.gz UYFHCQBNTXCLDD-AHIWAGSCSA-N 1 0 273.376 3.175 50 0 CGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000089937545 345776714 /nfs/dbraw/zinc/77/67/14/345776714.db2.gz XLMUFQSANCFRCN-AUUYWEPGSA-N 1 0 296.414 3.186 50 0 CGAARO Cc1cccc(CN(CC[N@@H+](C)C2CC2)C2CC2)c1 ZINC000170607309 346195091 /nfs/dbraw/zinc/19/50/91/346195091.db2.gz MMTWSKUWNPKFRP-UHFFFAOYSA-N 1 0 258.409 3.054 50 0 CGAARO c1ccc([C@H]([NH2+]CCC2=CCOCC2)c2ccncc2)cc1 ZINC000195553887 346273121 /nfs/dbraw/zinc/27/31/21/346273121.db2.gz JSDBGSGTNXOJEN-IBGZPJMESA-N 1 0 294.398 3.497 50 0 CGAARO COC[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000225634040 346304815 /nfs/dbraw/zinc/30/48/15/346304815.db2.gz CIFFCWYMSNRFBM-QGZVFWFLSA-N 1 0 291.341 3.485 50 0 CGAARO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000409421180 346605213 /nfs/dbraw/zinc/60/52/13/346605213.db2.gz WNQKWERUJSHIIT-QGZVFWFLSA-N 1 0 296.418 3.301 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNCc1cccc(O)c1Cl ZINC000339250502 215040420 /nfs/dbraw/zinc/04/04/20/215040420.db2.gz VCRASICBLUZEKV-CYBMUJFWSA-N 1 0 282.815 3.010 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cc(C3CC3)n[nH]2)cc1 ZINC000584888953 346722409 /nfs/dbraw/zinc/72/24/09/346722409.db2.gz OOAWETBTKWPNNI-ZDUSSCGKSA-N 1 0 299.418 3.407 50 0 CGAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000584903022 346723835 /nfs/dbraw/zinc/72/38/35/346723835.db2.gz CCCTUTOGGDOWAW-ZETCQYMHSA-N 1 0 275.249 3.133 50 0 CGAARO C[C@@H]([NH2+]CCCn1cccn1)[C@@H](C)c1ccccc1 ZINC000089905434 179880937 /nfs/dbraw/zinc/88/09/37/179880937.db2.gz GVIISITZUGUJSK-HUUCEWRRSA-N 1 0 257.381 3.055 50 0 CGAARO C[C@@H](c1ccccn1)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000091702246 180230437 /nfs/dbraw/zinc/23/04/37/180230437.db2.gz YUCGHCYDTWLXLD-BBBYJDLNSA-N 1 0 262.397 3.016 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000108115427 186205405 /nfs/dbraw/zinc/20/54/05/186205405.db2.gz NTZRUHQFHQAWEP-MCIONIFRSA-N 1 0 278.396 3.014 50 0 CGAARO COc1cccc([C@H](O)C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000131166554 187547060 /nfs/dbraw/zinc/54/70/60/187547060.db2.gz ZMMNFJLYRZATHY-RDTXWAMCSA-N 1 0 285.387 3.122 50 0 CGAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccn2C)C12CCCCC2 ZINC000170015903 188667084 /nfs/dbraw/zinc/66/70/84/188667084.db2.gz KTDGNRSRFIPEHW-HZPDHXFCSA-N 1 0 276.424 3.243 50 0 CGAARO CC(C)[NH+](CC[C@@H](CNC=O)c1ccccc1)C(C)C ZINC000169725205 188662465 /nfs/dbraw/zinc/66/24/65/188662465.db2.gz NEBCYYUFMXAHFZ-KRWDZBQOSA-N 1 0 276.424 3.025 50 0 CGAARO Cc1cccc(C)c1OCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341988628 216180482 /nfs/dbraw/zinc/18/04/82/216180482.db2.gz JHVMEDONXNJWPN-GOSISDBHSA-N 1 0 289.419 3.185 50 0 CGAARO COCc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000183728131 189366907 /nfs/dbraw/zinc/36/69/07/189366907.db2.gz KNSJZUVVSQHFQX-AWEZNQCLSA-N 1 0 270.376 3.421 50 0 CGAARO O[C@@](c1cccs1)(c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000204005 368313934 /nfs/dbraw/zinc/31/39/34/368313934.db2.gz IPKLUCDIJUDRKF-WMZOPIPTSA-N 1 0 299.439 3.326 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000201008 368314322 /nfs/dbraw/zinc/31/43/22/368314322.db2.gz HUIWTFGNMYHERI-SFHVURJKSA-N 1 0 267.372 3.310 50 0 CGAARO CCOc1ccccc1C[N@H+](C)CCc1ccccn1 ZINC000000200593 368314483 /nfs/dbraw/zinc/31/44/83/368314483.db2.gz LHHGWYDWMULYLK-UHFFFAOYSA-N 1 0 270.376 3.155 50 0 CGAARO COc1ccc(OC)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000239896 368321980 /nfs/dbraw/zinc/32/19/80/368321980.db2.gz HHMSFQBLYOTRTC-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO CC[C@]1(C)C[C@](CC[NH3+])(c2ccc(OC)cc2)CCO1 ZINC000000171738 368308163 /nfs/dbraw/zinc/30/81/63/368308163.db2.gz JSZSRSVBYOBTJA-IAGOWNOFSA-N 1 0 277.408 3.261 50 0 biogenic CGAARO Cc1c(CC[NH3+])c2ccccc2n1Cc1ccccc1 ZINC000000188171 368311571 /nfs/dbraw/zinc/31/15/71/368311571.db2.gz CDOSZLVHAXMESL-UHFFFAOYSA-N 1 0 264.372 3.499 50 0 CGAARO CC[n+]1ccccc1C=CN(C(C)=O)c1ccccc1 ZINC000000264423 368328283 /nfs/dbraw/zinc/32/82/83/368328283.db2.gz KQUWZRTXENOULQ-UHFFFAOYSA-N 1 0 267.352 3.018 50 0 CGAARO CC1=C[C@H](C)C2(COC(c3ccc[n+](C)c3)OC2)[C@@H](C)C1 ZINC000000273319 368330860 /nfs/dbraw/zinc/33/08/60/368330860.db2.gz YLPVKFCCZWGVGJ-QEFXCSQDSA-N 1 0 288.411 3.165 50 0 CGAARO CC[N@H+](CCO)Cc1csc2ccc(Cl)cc12 ZINC000000338767 368342648 /nfs/dbraw/zinc/34/26/48/368342648.db2.gz AIYQKJMMZLHTHH-UHFFFAOYSA-N 1 0 269.797 3.369 50 0 CGAARO CC(C)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000528724 368384071 /nfs/dbraw/zinc/38/40/71/368384071.db2.gz NKUJIDQPKBADLB-UHFFFAOYSA-N 1 0 260.381 3.267 50 0 CGAARO C[C@H]([C@H](O)c1cccc2c1CCCC2)[NH+]1CCCCC1 ZINC000001278198 368406611 /nfs/dbraw/zinc/40/66/11/368406611.db2.gz AJNWUQVKWIOTNU-KDOFPFPSSA-N 1 0 273.420 3.473 50 0 CGAARO CC[NH+](CC)CC(=O)N(C)C(CC(C)C)CC(C)C ZINC000002168033 368449020 /nfs/dbraw/zinc/44/90/20/368449020.db2.gz LBRCQTCFTPRERW-UHFFFAOYSA-N 1 0 270.461 3.247 50 0 CGAARO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)C1CCCCC1 ZINC000003279660 368500063 /nfs/dbraw/zinc/50/00/63/368500063.db2.gz RQRBETGSPIZVDV-UHFFFAOYSA-N 1 0 290.407 3.288 50 0 CGAARO Cc1cc(Cl)cc(Cl)c1OCCOCC[NH+](C)C ZINC000002823508 368479821 /nfs/dbraw/zinc/47/98/21/368479821.db2.gz DYVNGQCNSFPQKG-UHFFFAOYSA-N 1 0 292.206 3.259 50 0 CGAARO CC[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000002825421 368481007 /nfs/dbraw/zinc/48/10/07/368481007.db2.gz FHKLSOFGOJXBRG-JTQLQIEISA-N 1 0 261.287 3.472 50 0 CGAARO CC[C@@H](C)c1ccc(NC(=S)NCCC[NH+](C)C)cc1 ZINC000002856797 368481772 /nfs/dbraw/zinc/48/17/72/368481772.db2.gz VXVUCDZPLSGBDD-CYBMUJFWSA-N 1 0 293.480 3.438 50 0 CGAARO C[N@H+](CCOC(=O)c1ccccc1Cl)C(C)(C)C ZINC000002925998 368485565 /nfs/dbraw/zinc/48/55/65/368485565.db2.gz DBJLJMOMUYERGF-UHFFFAOYSA-N 1 0 269.772 3.227 50 0 CGAARO C[C@H]1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@]2(C)CC[C@@H]1O ZINC000004110403 368531341 /nfs/dbraw/zinc/53/13/41/368531341.db2.gz WOBWPNVQJOHAFG-RANZSIQMSA-N 1 0 273.420 3.306 50 0 CGAARO Clc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000004295624 368541788 /nfs/dbraw/zinc/54/17/88/368541788.db2.gz VDQBXGIKLLSJSC-NSHDSACASA-N 1 0 295.795 3.440 50 0 CGAARO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H](C)C3)c2c1 ZINC000004337139 368543183 /nfs/dbraw/zinc/54/31/83/368543183.db2.gz PFIOEEULSVWXAH-GFCCVEGCSA-N 1 0 286.375 3.091 50 0 in-vitro CGAARO CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000011917272 368599212 /nfs/dbraw/zinc/59/92/12/368599212.db2.gz FGNPNKMBIXCBNU-CQSZACIVSA-N 1 0 282.815 3.249 50 0 CGAARO O=C(C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012343491 368607720 /nfs/dbraw/zinc/60/77/20/368607720.db2.gz MAEICGOAHFFMEL-UHFFFAOYSA-N 1 0 278.440 3.044 50 0 CGAARO COc1cc(C2(C[NH3+])CCCC2)ccc1OC(F)F ZINC000012504968 368614290 /nfs/dbraw/zinc/61/42/90/368614290.db2.gz YFFRJLLEJCROBY-UHFFFAOYSA-N 1 0 271.307 3.067 50 0 CGAARO CCC[NH+]1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000016580220 368715932 /nfs/dbraw/zinc/71/59/32/368715932.db2.gz QKXRVWIQDXISSA-UHFFFAOYSA-N 1 0 280.456 3.338 50 0 CGAARO CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016606294 368717143 /nfs/dbraw/zinc/71/71/43/368717143.db2.gz XTNSJONHUQHHAB-UHFFFAOYSA-N 1 0 294.826 3.078 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000013856405 368670168 /nfs/dbraw/zinc/67/01/68/368670168.db2.gz KFAHOWZDCJPYIV-HOCLYGCPSA-N 1 0 291.366 3.247 50 0 CGAARO Cc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000014199280 368678086 /nfs/dbraw/zinc/67/80/86/368678086.db2.gz ALZPZPGFHOZDCE-HUUCEWRRSA-N 1 0 290.432 3.377 50 0 CGAARO CC[NH+](CC)CCOc1ccc(C(F)(F)F)cc1N ZINC000014629442 368683173 /nfs/dbraw/zinc/68/31/73/368683173.db2.gz DKIIYOCZGXETPR-UHFFFAOYSA-N 1 0 276.302 3.008 50 0 CGAARO Cc1oc(-c2cccs2)nc1C[N@@H+](C)C1CCOCC1 ZINC000014957031 368686759 /nfs/dbraw/zinc/68/67/59/368686759.db2.gz DDTWPPDMJQJMQF-UHFFFAOYSA-N 1 0 292.404 3.322 50 0 CGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019637312 368759729 /nfs/dbraw/zinc/75/97/29/368759729.db2.gz NSCVTMGYYPFBSJ-FUHWJXTLSA-N 1 0 272.436 3.383 50 0 CGAARO COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1OC ZINC000019720407 368760288 /nfs/dbraw/zinc/76/02/88/368760288.db2.gz MISFEMKRBRYWRB-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COc1ccc(-c2[nH]c3ccc(OC)cc3c2CC[NH3+])cc1 ZINC000019724623 368761833 /nfs/dbraw/zinc/76/18/33/368761833.db2.gz ODKCRAIOXIZAKI-UHFFFAOYSA-N 1 0 296.370 3.353 50 0 CGAARO Cc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019789351 368765774 /nfs/dbraw/zinc/76/57/74/368765774.db2.gz YFWCFIYXDFSTOC-GOSISDBHSA-N 1 0 284.447 3.469 50 0 CGAARO Fc1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000019789237 368766212 /nfs/dbraw/zinc/76/62/12/368766212.db2.gz RBGAXWHCLMAZKK-INIZCTEOSA-N 1 0 288.410 3.300 50 0 CGAARO COc1cccc(OC)c1-c1ccc2c(c1)C[NH2+]CC2 ZINC000019794718 368766698 /nfs/dbraw/zinc/76/66/98/368766698.db2.gz NPTWDJUPJPABMV-UHFFFAOYSA-N 1 0 269.344 3.017 50 0 CGAARO Fc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019842473 368771414 /nfs/dbraw/zinc/77/14/14/368771414.db2.gz PMGAFJUNPMEQOI-INIZCTEOSA-N 1 0 288.410 3.300 50 0 CGAARO Clc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000019359680 368750131 /nfs/dbraw/zinc/75/01/31/368750131.db2.gz QFZCISUTDXZSAA-UHFFFAOYSA-N 1 0 278.827 3.400 50 0 CGAARO Cc1nc(-c2ccccc2)[nH]c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000020684641 368808619 /nfs/dbraw/zinc/80/86/19/368808619.db2.gz GACJGAIENZOOPJ-INIZCTEOSA-N 1 0 299.418 3.386 50 0 CGAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000023114917 368816154 /nfs/dbraw/zinc/81/61/54/368816154.db2.gz QPQMTCJYGDZTJX-AWEZNQCLSA-N 1 0 298.224 3.186 50 0 CGAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000023653626 368823536 /nfs/dbraw/zinc/82/35/36/368823536.db2.gz DWKHJZFOUCWJSO-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO CC[NH+](CC)CCNCc1c(Cl)cccc1Cl ZINC000019919635 368784461 /nfs/dbraw/zinc/78/44/61/368784461.db2.gz LOWHFRLSHJDAGM-UHFFFAOYSA-N 1 0 275.223 3.425 50 0 CGAARO [NH3+][C@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000019971008 368792428 /nfs/dbraw/zinc/79/24/28/368792428.db2.gz JWINCZBVUPPUFG-OAHLLOKOSA-N 1 0 259.736 3.323 50 0 CGAARO CC1CCC([NH2+]CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020050196 368796268 /nfs/dbraw/zinc/79/62/68/368796268.db2.gz FOMIVTSXHHIEHN-UHFFFAOYSA-N 1 0 280.799 3.447 50 0 CGAARO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccs1 ZINC000027368550 368871549 /nfs/dbraw/zinc/87/15/49/368871549.db2.gz YSPAPRGAOCEECR-HNNXBMFYSA-N 1 0 288.416 3.334 50 0 CGAARO C[C@H](C[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000034484337 368975595 /nfs/dbraw/zinc/97/55/95/368975595.db2.gz FKQJPVFJZTTYGN-LLVKDONJSA-N 1 0 251.757 3.255 50 0 CGAARO CCc1ccc(-c2cncc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000034669476 368976471 /nfs/dbraw/zinc/97/64/71/368976471.db2.gz UETOOMMXZQVGFA-UHFFFAOYSA-N 1 0 295.430 3.058 50 0 CGAARO CC(C)C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000035012766 368989836 /nfs/dbraw/zinc/98/98/36/368989836.db2.gz MPQKJWUDZOLGJO-INIZCTEOSA-N 1 0 257.381 3.297 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000035018960 368991184 /nfs/dbraw/zinc/99/11/84/368991184.db2.gz PHYBBIAPSUJKPW-CYBMUJFWSA-N 1 0 267.332 3.316 50 0 CGAARO Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037507822 369087957 /nfs/dbraw/zinc/08/79/57/369087957.db2.gz SJIVIRBDKXZCRZ-UHFFFAOYSA-N 1 0 281.403 3.149 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000038011458 369140531 /nfs/dbraw/zinc/14/05/31/369140531.db2.gz GBTCPESQLYXSFO-INIZCTEOSA-N 1 0 255.365 3.267 50 0 CGAARO c1ccc(Cc2ccc(OC[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773294 369230753 /nfs/dbraw/zinc/23/07/53/369230753.db2.gz OZBTYFVVZXKTBS-QGZVFWFLSA-N 1 0 267.372 3.266 50 0 CGAARO CCCc1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770295 369231172 /nfs/dbraw/zinc/23/11/72/369231172.db2.gz KNLAFCNJDVTOIH-LLVKDONJSA-N 1 0 298.224 3.390 50 0 CGAARO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000046956060 369301428 /nfs/dbraw/zinc/30/14/28/369301428.db2.gz XKAVGBOXPUQVSQ-CQSZACIVSA-N 1 0 289.423 3.273 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccccc2)on1 ZINC000047273737 369311652 /nfs/dbraw/zinc/31/16/52/369311652.db2.gz CEOMXBSGQHEBJE-OAHLLOKOSA-N 1 0 272.348 3.199 50 0 CGAARO C[C@@H](CNC(=O)Nc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000047324100 369312760 /nfs/dbraw/zinc/31/27/60/369312760.db2.gz XYACPQNMJSZUIE-LBPRGKRZSA-N 1 0 295.814 3.193 50 0 CGAARO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]21 ZINC000230267423 189808597 /nfs/dbraw/zinc/80/85/97/189808597.db2.gz ONGQGGNJMHLXFX-RRFJBIMHSA-N 1 0 263.356 3.119 50 0 CGAARO CCOc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055543329 369518575 /nfs/dbraw/zinc/51/85/75/369518575.db2.gz KTLQFDSKYMSRAD-UHFFFAOYSA-N 1 0 296.414 3.408 50 0 CGAARO CC[NH+](CC)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000058012575 369552650 /nfs/dbraw/zinc/55/26/50/369552650.db2.gz UARKTDBWHMRIKC-MRXNPFEDSA-N 1 0 274.408 3.128 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccccc1 ZINC000058180113 369556834 /nfs/dbraw/zinc/55/68/34/369556834.db2.gz UOLGLXRYRJPTMA-JTQLQIEISA-N 1 0 263.772 3.233 50 0 CGAARO C[C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000058337349 369565214 /nfs/dbraw/zinc/56/52/14/369565214.db2.gz JXKSRWUJRCORMI-CQSZACIVSA-N 1 0 285.391 3.401 50 0 CGAARO CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000058378670 369565689 /nfs/dbraw/zinc/56/56/89/369565689.db2.gz QOLXAVMFJOVKFL-OAHLLOKOSA-N 1 0 297.402 3.444 50 0 CGAARO COC(=O)c1oc(C[N@H+](C2CC2)C2CCCC2)cc1C ZINC000057619746 369543651 /nfs/dbraw/zinc/54/36/51/369543651.db2.gz HZLLQXKQDFIPES-UHFFFAOYSA-N 1 0 277.364 3.282 50 0 CGAARO COc1cc(Oc2ccc(C)nn2)ccc1C[NH+]1CCCC1 ZINC000067514133 369719253 /nfs/dbraw/zinc/71/92/53/369719253.db2.gz NOMDNWHKFYDAHI-UHFFFAOYSA-N 1 0 299.374 3.182 50 0 CGAARO COc1ccccc1/C=C/CN1CC[N@H+](C(C)C)[C@H](C)C1 ZINC000065506331 369681042 /nfs/dbraw/zinc/68/10/42/369681042.db2.gz XFIBKKIWHFZMPS-MNDMWVCDSA-N 1 0 288.435 3.123 50 0 CGAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCCCC2)C1 ZINC000065536028 369682066 /nfs/dbraw/zinc/68/20/66/369682066.db2.gz DDKAULDBEXZFKB-CQSZACIVSA-N 1 0 295.471 3.129 50 0 CGAARO C[N@H+](CCc1ccncc1)Cc1ccc(F)c(F)c1 ZINC000065588657 369683818 /nfs/dbraw/zinc/68/38/18/369683818.db2.gz ZCVIPALPVCVVMU-UHFFFAOYSA-N 1 0 262.303 3.034 50 0 CGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000065576327 369684315 /nfs/dbraw/zinc/68/43/15/369684315.db2.gz YBGJRBYLBHHKNJ-UHFFFAOYSA-N 1 0 293.386 3.164 50 0 CGAARO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCCCC1 ZINC000069415250 369759008 /nfs/dbraw/zinc/75/90/08/369759008.db2.gz BFCBGNALWYKARK-LBPRGKRZSA-N 1 0 257.337 3.284 50 0 CGAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000069840555 369773234 /nfs/dbraw/zinc/77/32/34/369773234.db2.gz JTQWAHQYIDPMLU-QGZVFWFLSA-N 1 0 290.455 3.187 50 0 CGAARO COc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)n1cc(C)cn1 ZINC000069616203 369765391 /nfs/dbraw/zinc/76/53/91/369765391.db2.gz POEPROUTEOXNGF-OLZOCXBDSA-N 1 0 291.370 3.079 50 0 CGAARO CC(C)(C)[C@@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccccc1 ZINC000069745091 369769077 /nfs/dbraw/zinc/76/90/77/369769077.db2.gz MNHQRDAYSVFRFD-INIZCTEOSA-N 1 0 287.359 3.222 50 0 CGAARO CC(C)[NH2+]Cc1ccccc1-c1cccc(CO)c1 ZINC000067676177 369724200 /nfs/dbraw/zinc/72/42/00/369724200.db2.gz KQDZCACZCXAPLJ-UHFFFAOYSA-N 1 0 255.361 3.344 50 0 CGAARO Clc1ccccc1-c1ccccc1CN1CC[NH2+]CC1 ZINC000067787705 369728899 /nfs/dbraw/zinc/72/88/99/369728899.db2.gz JKSPRYVBRMAJCB-UHFFFAOYSA-N 1 0 286.806 3.412 50 0 CGAARO CC(C)(C)c1cc(C[NH+]2CCC(c3ccncc3)CC2)[nH]n1 ZINC000067846722 369732488 /nfs/dbraw/zinc/73/24/88/369732488.db2.gz RXUOMMDQUCUNGN-UHFFFAOYSA-N 1 0 298.434 3.482 50 0 CGAARO CCCC[N@H+](C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067966036 369736459 /nfs/dbraw/zinc/73/64/59/369736459.db2.gz UAAWULBHXDHQSF-UHFFFAOYSA-N 1 0 258.365 3.068 50 0 CGAARO [NH3+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000070613822 369806972 /nfs/dbraw/zinc/80/69/72/369806972.db2.gz NPPPVEBBUIBPQA-UHFFFAOYSA-N 1 0 292.176 3.487 50 0 CGAARO COc1ccc(CN2CCCC[C@@H]2CC[NH+](C)C)cc1F ZINC000072427002 369819544 /nfs/dbraw/zinc/81/95/44/369819544.db2.gz JTNRNHPRSYEVKD-OAHLLOKOSA-N 1 0 294.414 3.141 50 0 CGAARO CCC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000072579291 369826161 /nfs/dbraw/zinc/82/61/61/369826161.db2.gz QPPNDOUHTVYPSN-HNNXBMFYSA-N 1 0 274.408 3.000 50 0 CGAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccno2)c1 ZINC000072665388 369833830 /nfs/dbraw/zinc/83/38/30/369833830.db2.gz QAKBXDOEACXHTF-MRXNPFEDSA-N 1 0 271.364 3.078 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069894957 369774589 /nfs/dbraw/zinc/77/45/89/369774589.db2.gz FBYPWFBDWMIOBU-HOTGVXAUSA-N 1 0 278.440 3.042 50 0 CGAARO CSCc1ccc(N2CCC([C@H](C)[NH+](C)C)CC2)nc1 ZINC000082139043 369999658 /nfs/dbraw/zinc/99/96/58/369999658.db2.gz HFVMDLLGICYBBV-ZDUSSCGKSA-N 1 0 293.480 3.111 50 0 CGAARO COc1ccc(Br)c(C[NH+]2CCCC2)c1 ZINC000087797745 370029574 /nfs/dbraw/zinc/02/95/74/370029574.db2.gz RHWIVDCYXFGLCF-UHFFFAOYSA-N 1 0 270.170 3.054 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCCCO1 ZINC000080068318 369983538 /nfs/dbraw/zinc/98/35/38/369983538.db2.gz XQMJHFSANGEEAP-AWEZNQCLSA-N 1 0 259.349 3.434 50 0 CGAARO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521416 370061508 /nfs/dbraw/zinc/06/15/08/370061508.db2.gz RZNLSORPQKBZDN-YOEHRIQHSA-N 1 0 287.407 3.157 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCn2ccnc21 ZINC000089895763 370050331 /nfs/dbraw/zinc/05/03/31/370050331.db2.gz HUHSPNAWPQXJHW-NVXWUHKLSA-N 1 0 283.419 3.371 50 0 CGAARO COc1cccc([C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000089905273 370050478 /nfs/dbraw/zinc/05/04/78/370050478.db2.gz SZOCMWIUYGXTKT-HUUCEWRRSA-N 1 0 299.418 3.054 50 0 CGAARO CC[C@@H](O)C[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095415758 370185605 /nfs/dbraw/zinc/18/56/05/370185605.db2.gz LGKILQNAOQHNSL-MRXNPFEDSA-N 1 0 296.842 3.012 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000097109565 370226368 /nfs/dbraw/zinc/22/63/68/370226368.db2.gz RRYYDZMYLCLQFU-HNNXBMFYSA-N 1 0 292.386 3.460 50 0 CGAARO C[NH+](C)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000097173235 370232721 /nfs/dbraw/zinc/23/27/21/370232721.db2.gz XWJLNNMLVMOWAH-NJELEJDNSA-N 1 0 276.399 3.255 50 0 CGAARO COc1cccc([C@H]2CC[N@H+](CCCSC)C2)c1OC ZINC000097492572 370243352 /nfs/dbraw/zinc/24/33/52/370243352.db2.gz QJSRFEJYEHGLRF-ZDUSSCGKSA-N 1 0 295.448 3.246 50 0 CGAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000097480231 370243508 /nfs/dbraw/zinc/24/35/08/370243508.db2.gz AJVHBMXOTODJLE-MRXNPFEDSA-N 1 0 292.386 3.375 50 0 CGAARO Cc1cc(NC(=O)N(C)C2CC[NH2+]CC2)c(Cl)cc1F ZINC000097681804 370249452 /nfs/dbraw/zinc/24/94/52/370249452.db2.gz BNJPVKYBQFRHDW-UHFFFAOYSA-N 1 0 299.777 3.003 50 0 CGAARO Fc1ccc(CN2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000097642429 370250017 /nfs/dbraw/zinc/25/00/17/370250017.db2.gz UCZCMIXSIPFOQO-UHFFFAOYSA-N 1 0 282.790 3.149 50 0 CGAARO O[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418542 370186929 /nfs/dbraw/zinc/18/69/29/370186929.db2.gz ILHBBIMBLCQLBY-DOMZBBRYSA-N 1 0 290.794 3.139 50 0 CGAARO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1c(C)nn(C)c1C ZINC000095419700 370186985 /nfs/dbraw/zinc/18/69/85/370186985.db2.gz LMSIKJHKZSUSSN-JKSUJKDBSA-N 1 0 299.418 3.081 50 0 CGAARO Cc1cccc(NC(=O)CC[NH2+][C@H](C)c2cccs2)n1 ZINC000095421110 370188481 /nfs/dbraw/zinc/18/84/81/370188481.db2.gz SNSJDZHZNDPDPZ-GFCCVEGCSA-N 1 0 289.404 3.131 50 0 CGAARO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1F ZINC000095422969 370189651 /nfs/dbraw/zinc/18/96/51/370189651.db2.gz KFDMVZLPCHZXTA-XHDPSFHLSA-N 1 0 279.380 3.446 50 0 CGAARO C[C@@H]([NH2+]CCSCC(C)(C)O)c1ccc(F)cc1F ZINC000095422598 370190015 /nfs/dbraw/zinc/19/00/15/370190015.db2.gz IEPNITIMKTXZKR-SNVBAGLBSA-N 1 0 289.391 3.120 50 0 CGAARO c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccccn2)cc1 ZINC000095435737 370192578 /nfs/dbraw/zinc/19/25/78/370192578.db2.gz YLXBSSPLEVCBSU-QAPCUYQASA-N 1 0 282.387 3.339 50 0 CGAARO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nncn2C2CC2)CC1 ZINC000095434011 370192651 /nfs/dbraw/zinc/19/26/51/370192651.db2.gz YPKFWYZOYDRZBI-ZIAGYGMSSA-N 1 0 276.428 3.308 50 0 CGAARO c1ccc(-c2nnc(SCCC3CC[NH2+]CC3)o2)cc1 ZINC000095908650 370201279 /nfs/dbraw/zinc/20/12/79/370201279.db2.gz LNUKEEYIUHYUCY-UHFFFAOYSA-N 1 0 289.404 3.218 50 0 CGAARO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000108160031 370356865 /nfs/dbraw/zinc/35/68/65/370356865.db2.gz UCZMUBNNVLLJJI-ZQDZILKHSA-N 1 0 266.429 3.039 50 0 CGAARO c1ccc2c(c1)cccc2C[NH+]1CCC2(CC1)OCCO2 ZINC000014193180 541853361 /nfs/dbraw/zinc/85/33/61/541853361.db2.gz IDUSRUSSGZBDJQ-UHFFFAOYSA-N 1 0 283.371 3.179 50 0 CGAARO C[C@H](c1ccc(-c2ccncc2)cc1)[NH+]1CCOCC1 ZINC000426475450 372160056 /nfs/dbraw/zinc/16/00/56/372160056.db2.gz PFVVWLMNBXIPCV-CQSZACIVSA-N 1 0 268.360 3.142 50 0 CGAARO COc1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1 ZINC000042681956 541872555 /nfs/dbraw/zinc/87/25/55/541872555.db2.gz UUPPEMSBCRBMSN-JLHYYAGUSA-N 1 0 279.363 3.182 50 0 CGAARO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000185082426 374584896 /nfs/dbraw/zinc/58/48/96/374584896.db2.gz AXWWYMRDKMIHOK-WMLDXEAASA-N 1 0 269.392 3.459 50 0 CGAARO C[C@@H](COc1ccc(F)cc1)[NH2+][C@@H](C)c1cccnc1 ZINC000092740239 541977401 /nfs/dbraw/zinc/97/74/01/541977401.db2.gz ZXXBCWJVCBDXTA-STQMWFEESA-N 1 0 274.339 3.339 50 0 CGAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186916994 374938896 /nfs/dbraw/zinc/93/88/96/374938896.db2.gz FHQBIMWRKPABJL-HNNXBMFYSA-N 1 0 297.464 3.104 50 0 CGAARO Cc1c(-c2cc(C[NH2+][C@H]3CCCC3(C)C)on2)cnn1C ZINC000191859702 375669583 /nfs/dbraw/zinc/66/95/83/375669583.db2.gz ZKFWTSFIJXCDJP-HNNXBMFYSA-N 1 0 288.395 3.052 50 0 CGAARO C[C@H](CC[N@H+](C)Cc1cnn(C)c1)c1ccccc1 ZINC000193629896 375901268 /nfs/dbraw/zinc/90/12/68/375901268.db2.gz WPTCUTWPKAVFPU-CQSZACIVSA-N 1 0 257.381 3.046 50 0 CGAARO CC1=CC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000215350213 376146962 /nfs/dbraw/zinc/14/69/62/376146962.db2.gz NJVNXTHEXZOGDR-UHFFFAOYSA-N 1 0 271.339 3.163 50 0 CGAARO COC[C@@H]1CCC[N@@H+]1Cc1cccc2c(C)c(C)[nH]c21 ZINC000215295594 376147301 /nfs/dbraw/zinc/14/73/01/376147301.db2.gz VVVOXHSAIPMCKQ-HNNXBMFYSA-N 1 0 272.392 3.396 50 0 CGAARO CSc1ccccc1C[N@H+](C)C1CCOCC1 ZINC000215825379 376152028 /nfs/dbraw/zinc/15/20/28/376152028.db2.gz ZJANQWTVAPTVGN-UHFFFAOYSA-N 1 0 251.395 3.019 50 0 CGAARO c1coc(-c2cccc(CN3CC[N@@H+]4CCC[C@@H]4C3)c2)c1 ZINC000215901046 376152691 /nfs/dbraw/zinc/15/26/91/376152691.db2.gz UNVQPQWQKNAGIY-QGZVFWFLSA-N 1 0 282.387 3.227 50 0 CGAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000225518089 376314073 /nfs/dbraw/zinc/31/40/73/376314073.db2.gz WRFFWBRYUBSVGK-GFCCVEGCSA-N 1 0 270.332 3.003 50 0 CGAARO OCc1ccccc1C[NH2+]Cc1sccc1Cl ZINC000225609251 376318707 /nfs/dbraw/zinc/31/87/07/376318707.db2.gz OULHKFQDTDYWOD-UHFFFAOYSA-N 1 0 267.781 3.184 50 0 CGAARO Cc1ccc(C(C)(C)CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000237467212 376744773 /nfs/dbraw/zinc/74/47/73/376744773.db2.gz RTSZPHUVTBBQTD-ZBFHGGJFSA-N 1 0 288.435 3.001 50 0 CGAARO Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1C ZINC000237902520 376765656 /nfs/dbraw/zinc/76/56/56/376765656.db2.gz XTLSKIRQUHFMDD-BBWFWOEESA-N 1 0 286.419 3.094 50 0 CGAARO C[C@@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000241132886 376776552 /nfs/dbraw/zinc/77/65/52/376776552.db2.gz JMVPNOZEBIXYQU-ILWJIGKKSA-N 1 0 259.802 3.447 50 0 CGAARO COc1cccc([C@H]2CCCC[N@@H+]2CCn2ccnc2C)c1 ZINC000244811554 376798521 /nfs/dbraw/zinc/79/85/21/376798521.db2.gz SGTFOBQDUYBYDL-GOSISDBHSA-N 1 0 299.418 3.427 50 0 CGAARO Cc1nnc(C[N@@H+](C)[C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000252487303 377631032 /nfs/dbraw/zinc/63/10/32/377631032.db2.gz VHNIUVFRQOXMAI-HOTGVXAUSA-N 1 0 285.391 3.221 50 0 CGAARO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCCCCCC1 ZINC000252496976 377632475 /nfs/dbraw/zinc/63/24/75/377632475.db2.gz PWUYHPPKVWCEAM-MRXNPFEDSA-N 1 0 272.392 3.206 50 0 CGAARO COC(=O)c1cc(C[NH2+]C2(C)CCC(C)CC2)n(C)c1C ZINC000253429876 377694150 /nfs/dbraw/zinc/69/41/50/377694150.db2.gz VJQXLVRZFDYOMH-UHFFFAOYSA-N 1 0 292.423 3.179 50 0 CGAARO O=C(c1ccsc1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257178468 377794349 /nfs/dbraw/zinc/79/43/49/377794349.db2.gz GJRWRDYOLINEBD-CQSZACIVSA-N 1 0 292.448 3.086 50 0 CGAARO O=C(CC1CCCC1)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000257195991 377796736 /nfs/dbraw/zinc/79/67/36/377796736.db2.gz XHXCOAWQGOGYKB-QGZVFWFLSA-N 1 0 292.467 3.434 50 0 CGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000269288209 378204131 /nfs/dbraw/zinc/20/41/31/378204131.db2.gz TVXJXEJYOIBZCF-BZCKNUJPSA-N 1 0 298.839 3.001 50 0 CGAARO C[C@@H](c1nc(-c2cscn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000278747913 194135794 /nfs/dbraw/zinc/13/57/94/194135794.db2.gz QWGXLZPBLVVKRZ-AEJSXWLSSA-N 1 0 278.381 3.127 50 0 CGAARO Cc1c(Nc2cc(C)nc(C)n2)cnn1C1CCCC1 ZINC000195309444 542280944 /nfs/dbraw/zinc/28/09/44/542280944.db2.gz JZDYNUGLVOSSPO-UHFFFAOYSA-N 1 0 271.368 3.457 50 0 CGAARO C[C@@H](c1ccc(-c2ccncc2N)cc1)[NH+]1CCCC1 ZINC000096163277 256885854 /nfs/dbraw/zinc/88/58/54/256885854.db2.gz IGZOWVQOQPIRMO-ZDUSSCGKSA-N 1 0 267.376 3.488 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]CCCCn2ccccc2=O)cc1 ZINC000095421253 184976838 /nfs/dbraw/zinc/97/68/38/184976838.db2.gz NPDVSGXWHHBHIC-INIZCTEOSA-N 1 0 284.403 3.288 50 0 CGAARO COc1ccccc1C[C@@H](C)[NH2+]CCc1ncc(C)s1 ZINC000095423290 184977570 /nfs/dbraw/zinc/97/75/70/184977570.db2.gz IDTUAERKELHDOF-GFCCVEGCSA-N 1 0 290.432 3.223 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000096476544 533444737 /nfs/dbraw/zinc/44/47/37/533444737.db2.gz UFPSJVQPUKIPID-CYBMUJFWSA-N 1 0 298.415 3.239 50 0 CGAARO Cc1ccc(-n2ncc3c2ncnc3N2CCCC2)c(C)c1 ZINC000000464699 391910322 /nfs/dbraw/zinc/91/03/22/391910322.db2.gz KMGAHUVRNWOHRL-UHFFFAOYSA-N 1 0 293.374 3.033 50 0 CGAARO CC1(C)CO[C@@H](c2cccc(C(F)(F)F)c2)C[NH2+]1 ZINC000036672995 391976702 /nfs/dbraw/zinc/97/67/02/391976702.db2.gz YBCKMFNWWPEEIS-LLVKDONJSA-N 1 0 259.271 3.145 50 0 CGAARO C/C=C1\C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000071404346 392191776 /nfs/dbraw/zinc/19/17/76/392191776.db2.gz TWRIMOCPODQOBZ-ZAMBRNKVSA-N 1 0 294.398 3.309 50 0 CGAARO Cc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000097159728 392260303 /nfs/dbraw/zinc/26/03/03/392260303.db2.gz YHDGPBASKINGHM-UHFFFAOYSA-N 1 0 292.386 3.080 50 0 CGAARO Cn1c(C[NH2+][C@H]2CCCC2(C)C)nnc1-c1ccccc1 ZINC000191300869 392828268 /nfs/dbraw/zinc/82/82/68/392828268.db2.gz SYHMFCRHQWCVSO-AWEZNQCLSA-N 1 0 284.407 3.150 50 0 CGAARO CSc1cccc(C[N@H+](C)Cc2c[nH]nc2C)c1 ZINC000215275458 392987042 /nfs/dbraw/zinc/98/70/42/392987042.db2.gz RTTFKDFLIPGNNS-UHFFFAOYSA-N 1 0 261.394 3.072 50 0 CGAARO CC1=CC[N@H+](Cc2nc3ccccc3nc2C)CC1 ZINC000215448055 392987559 /nfs/dbraw/zinc/98/75/59/392987559.db2.gz CSXYHZANBDYNDJ-UHFFFAOYSA-N 1 0 253.349 3.090 50 0 CGAARO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCCC2(C)C)nn1 ZINC000232511143 393027171 /nfs/dbraw/zinc/02/71/71/393027171.db2.gz INUIHBNGCMNPNK-CYBMUJFWSA-N 1 0 264.417 3.092 50 0 CGAARO Cc1ccc(C[NH2+][C@@H]2CCSC2)c2cccnc12 ZINC000670460749 543156979 /nfs/dbraw/zinc/15/69/79/543156979.db2.gz CNYPRNKVXYCTBK-CYBMUJFWSA-N 1 0 258.390 3.138 50 0 CGAARO C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H](C)n1cccn1 ZINC000101701343 397645438 /nfs/dbraw/zinc/64/54/38/397645438.db2.gz WOXCOILEFBGPOT-RIJNJYOMSA-N 1 0 255.365 3.136 50 0 CGAARO O=C(OC[C@H]1CCC[N@@H+]1Cc1ccco1)[C@@H]1CC=CCC1 ZINC000107540842 397652384 /nfs/dbraw/zinc/65/23/84/397652384.db2.gz YPYSFJWLJQVCIC-HUUCEWRRSA-N 1 0 289.375 3.144 50 0 CGAARO COCC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000093103579 287114550 /nfs/dbraw/zinc/11/45/50/287114550.db2.gz YRJZZJBUDLGRHD-UHFFFAOYSA-N 1 0 289.419 3.259 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]CCNC(=O)c1ccccc1 ZINC000004700713 170001547 /nfs/dbraw/zinc/00/15/47/170001547.db2.gz XFRMVMFKNIZXIT-MRXNPFEDSA-N 1 0 296.414 3.027 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000004744672 170010257 /nfs/dbraw/zinc/01/02/57/170010257.db2.gz YHKALXFEHWFSMO-BETUJISGSA-N 1 0 278.371 3.132 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCCOc2ccc(C=O)cc2)C1 ZINC000004841556 170028289 /nfs/dbraw/zinc/02/82/89/170028289.db2.gz SGHHQUAIGUKENJ-GJZGRUSLSA-N 1 0 275.392 3.246 50 0 CGAARO C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004842613 170028983 /nfs/dbraw/zinc/02/89/83/170028983.db2.gz HECBAGJYBDITHX-JTQLQIEISA-N 1 0 265.740 3.070 50 0 CGAARO CC(=O)c1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004842802 170029005 /nfs/dbraw/zinc/02/90/05/170029005.db2.gz GUJMBRIMFOMAJZ-OKILXGFUSA-N 1 0 275.392 3.246 50 0 CGAARO COc1cc(C[NH2+]Cc2cccs2)cc(OC)c1OC ZINC000005019298 170056662 /nfs/dbraw/zinc/05/66/62/170056662.db2.gz FGPFDEZIGQGPRX-UHFFFAOYSA-N 1 0 293.388 3.064 50 0 CGAARO CCC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000005818908 170143377 /nfs/dbraw/zinc/14/33/77/170143377.db2.gz QVBOTMGSBYXVJQ-NSHDSACASA-N 1 0 291.222 3.387 50 0 in-vitro CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000006489811 170205999 /nfs/dbraw/zinc/20/59/99/170205999.db2.gz WKANQGLZSBMAGU-OAHLLOKOSA-N 1 0 272.396 3.111 50 0 CGAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000006697057 170226714 /nfs/dbraw/zinc/22/67/14/170226714.db2.gz LOBDXHKBHCRMLS-LBPRGKRZSA-N 1 0 275.323 3.354 50 0 CGAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000006697058 170226896 /nfs/dbraw/zinc/22/68/96/170226896.db2.gz LOBDXHKBHCRMLS-GFCCVEGCSA-N 1 0 275.323 3.354 50 0 CGAARO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000006938067 170256891 /nfs/dbraw/zinc/25/68/91/170256891.db2.gz MRJGMFDKWBKPDI-INIZCTEOSA-N 1 0 298.386 3.155 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2cccc(Cl)c2)CCCCC1 ZINC000008673972 170345215 /nfs/dbraw/zinc/34/52/15/170345215.db2.gz JFSYYIJPVLTYHL-UHFFFAOYSA-N 1 0 294.826 3.334 50 0 in-vitro CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000009256763 170369052 /nfs/dbraw/zinc/36/90/52/170369052.db2.gz QSVZAODMZPYQAC-UHFFFAOYSA-N 1 0 272.751 3.196 50 0 CGAARO Fc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000009513726 170379863 /nfs/dbraw/zinc/37/98/63/170379863.db2.gz RAVWGPCATNEYIP-BETUJISGSA-N 1 0 294.395 3.208 50 0 CGAARO FC(F)(F)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019429630 170796834 /nfs/dbraw/zinc/79/68/34/170796834.db2.gz JRSKSWUTYQLNLB-SNVBAGLBSA-N 1 0 259.271 3.084 50 0 CGAARO Cn1nccc1C[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000020451354 171207371 /nfs/dbraw/zinc/20/73/71/171207371.db2.gz IYPPUPQSKVMLLG-CQSZACIVSA-N 1 0 289.448 3.469 50 0 CGAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Cl)c1 ZINC000022078176 171352432 /nfs/dbraw/zinc/35/24/32/171352432.db2.gz UIDOWRBIAMSYNI-IUODEOHRSA-N 1 0 264.800 3.009 50 0 CGAARO C(=C\c1ccccc1)\C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000033936578 171827430 /nfs/dbraw/zinc/82/74/30/171827430.db2.gz XTUIUIDTYOEITB-DAXSKMNVSA-N 1 0 267.328 3.218 50 0 CGAARO Cc1ccsc1C[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000035287282 172105033 /nfs/dbraw/zinc/10/50/33/172105033.db2.gz QQRFXYUUPRZYNH-UHFFFAOYSA-N 1 0 274.389 3.093 50 0 CGAARO CC(C)[C@@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000040088699 174188865 /nfs/dbraw/zinc/18/88/65/174188865.db2.gz DICARTLEGJDIEI-SNVBAGLBSA-N 1 0 265.382 3.274 50 0 CGAARO COc1ccc(C[NH+](C)C)cc1NC(=O)C1CCCCC1 ZINC000040512052 174304951 /nfs/dbraw/zinc/30/49/51/174304951.db2.gz ZTWGHKRQETXXGA-UHFFFAOYSA-N 1 0 290.407 3.276 50 0 CGAARO CN(C)C1C(c2ccccc2)C([NH+](C)C)C1c1ccccc1 ZINC000045027945 175293308 /nfs/dbraw/zinc/29/33/08/175293308.db2.gz WXZWBLCZMNJUAF-UHFFFAOYSA-N 1 0 294.442 3.428 50 0 CGAARO Cc1ccccc1-n1nnnc1C(C)(C)[NH2+]C1CCCCC1 ZINC000046077992 175391731 /nfs/dbraw/zinc/39/17/31/175391731.db2.gz RBKJJVMXOIJQDR-UHFFFAOYSA-N 1 0 299.422 3.128 50 0 CGAARO C[C@@H](CNC(=O)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000047919981 175416287 /nfs/dbraw/zinc/41/62/87/175416287.db2.gz NMYFXKLPROBVOT-HNNXBMFYSA-N 1 0 296.414 3.302 50 0 CGAARO O=C(C1CCCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288729 175708450 /nfs/dbraw/zinc/70/84/50/175708450.db2.gz CRQUMBJWILESDN-MRXNPFEDSA-N 1 0 278.440 3.044 50 0 CGAARO C[C@@H](CC(F)(F)F)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000065371945 175723313 /nfs/dbraw/zinc/72/33/13/175723313.db2.gz MIORVDZESQHQKC-LBPRGKRZSA-N 1 0 297.324 3.345 50 0 CGAARO C[C@@H](COc1ccccc1)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000067723276 175786834 /nfs/dbraw/zinc/78/68/34/175786834.db2.gz AYAQUXBLPUHFGB-AWEZNQCLSA-N 1 0 295.386 3.163 50 0 CGAARO [NH3+][C@H](CCC(=O)N1CCCCCCC1)c1ccccc1 ZINC000071400249 176152680 /nfs/dbraw/zinc/15/26/80/176152680.db2.gz RENUHMBJGRUABN-MRXNPFEDSA-N 1 0 274.408 3.259 50 0 CGAARO COC(=O)c1cc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cs1 ZINC000071745463 176258425 /nfs/dbraw/zinc/25/84/25/176258425.db2.gz VNCWCMMPWVSUPE-KPWCQOOUSA-N 1 0 291.416 3.013 50 0 CGAARO [NH3+]Cc1cccc(-c2nccc(C3CCCC3)n2)c1 ZINC000071761184 176261157 /nfs/dbraw/zinc/26/11/57/176261157.db2.gz WPLOJZGJYDSVOB-UHFFFAOYSA-N 1 0 253.349 3.260 50 0 CGAARO C[C@@H](c1cccc(O)c1)[N@H+](C)CCc1ccccn1 ZINC000071897186 176292088 /nfs/dbraw/zinc/29/20/88/176292088.db2.gz XDAHKOZKNHHNNK-ZDUSSCGKSA-N 1 0 256.349 3.023 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@@H]2CCCO)c2ccccc2n1 ZINC000071915025 176298915 /nfs/dbraw/zinc/29/89/15/176298915.db2.gz SCKBRLGKRBJVLZ-MRXNPFEDSA-N 1 0 284.403 3.280 50 0 CGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)o1 ZINC000072131008 176321733 /nfs/dbraw/zinc/32/17/33/176321733.db2.gz WFXXGALGKBLMOV-MRXNPFEDSA-N 1 0 286.375 3.164 50 0 CGAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2ccc(Cl)s2)C1 ZINC000072172440 176332906 /nfs/dbraw/zinc/33/29/06/176332906.db2.gz YNRNJZKWALAKCL-NSHDSACASA-N 1 0 284.856 3.460 50 0 CGAARO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072376686 176385338 /nfs/dbraw/zinc/38/53/38/176385338.db2.gz WJRNJPMAYDJMGR-ZDUSSCGKSA-N 1 0 272.327 3.092 50 0 CGAARO COc1ccc(F)c(CN2CCCC[C@@H]2CC[NH+](C)C)c1 ZINC000072412087 176399038 /nfs/dbraw/zinc/39/90/38/176399038.db2.gz VJSQMJKRQRIOFZ-OAHLLOKOSA-N 1 0 294.414 3.141 50 0 CGAARO CCC(CC)(CC(=O)OC)[NH2+]Cc1cccc(F)c1 ZINC000075103632 176659464 /nfs/dbraw/zinc/65/94/64/176659464.db2.gz JWRPBTAGNJWBMM-UHFFFAOYSA-N 1 0 267.344 3.037 50 0 CGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000075133955 176664349 /nfs/dbraw/zinc/66/43/49/176664349.db2.gz UQEZSEGNFSITNS-LSDHHAIUSA-N 1 0 294.402 3.479 50 0 CGAARO Cc1cccc(C[N@H+]2CCN(C)c3ccccc3C2)c1 ZINC000078459121 177343196 /nfs/dbraw/zinc/34/31/96/177343196.db2.gz LDQWEOGMXTYKDH-UHFFFAOYSA-N 1 0 266.388 3.447 50 0 CGAARO CC(C)[C@H](O)[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288535 419738018 /nfs/dbraw/zinc/73/80/18/419738018.db2.gz VLYYESWPIWCQRQ-IKGGRYGDSA-N 1 0 289.419 3.046 50 0 CGAARO Cc1ccc([C@H](C)N(C)CC(=O)Nc2nccs2)s1 ZINC000048580526 260200571 /nfs/dbraw/zinc/20/05/71/260200571.db2.gz IMMAJNKFEGLTHB-JTQLQIEISA-N 1 0 295.433 3.145 50 0 CGAARO CCn1cc(C[N@H+](C)C/C=C/c2ccccc2)cn1 ZINC000522245688 270105666 /nfs/dbraw/zinc/10/56/66/270105666.db2.gz QBBWARCEADADSE-JXMROGBWSA-N 1 0 255.365 3.048 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000004860312 274384299 /nfs/dbraw/zinc/38/42/99/274384299.db2.gz QZDYHBJQXDADBH-CHWSQXEVSA-N 1 0 270.376 3.329 50 0 CGAARO CC1(C)[NH2+]Cc2cc(N)ccc2[C@@H]1c1ccccc1 ZINC000039257940 276154918 /nfs/dbraw/zinc/15/49/18/276154918.db2.gz CIAHEEUKSBGPMM-INIZCTEOSA-N 1 0 252.361 3.283 50 0 CGAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000016082592 277189108 /nfs/dbraw/zinc/18/91/08/277189108.db2.gz BYPYEMNCKKTEFT-CYBMUJFWSA-N 1 0 296.798 3.221 50 0 CGAARO C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000003900114 277537573 /nfs/dbraw/zinc/53/75/73/277537573.db2.gz PZOZCKFFWMPIMK-ORVZXPRGSA-N 1 0 261.409 3.256 50 0 CGAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527633180 288178818 /nfs/dbraw/zinc/17/88/18/288178818.db2.gz SHAFYLGHNGTKHX-KBMXLJTQSA-N 1 0 286.419 3.266 50 0 CGAARO CC1(C)C[C@@H]([C@H](CC[NH3+])c2ccc(F)cc2)CCO1 ZINC000004825989 281319623 /nfs/dbraw/zinc/31/96/23/281319623.db2.gz FBSHSKALOHEBCG-DZGCQCFKSA-N 1 0 265.372 3.463 50 0 CGAARO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038526551 303393735 /nfs/dbraw/zinc/39/37/35/303393735.db2.gz CJSVPNMXGOFFPB-AWEZNQCLSA-N 1 0 252.789 3.216 50 0 CGAARO Clc1ccc(C2([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000534651535 328337278 /nfs/dbraw/zinc/33/72/78/328337278.db2.gz SMLHQVWSLHIRPH-ZDUSSCGKSA-N 1 0 251.757 3.098 50 0 CGAARO O[C@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000019872164 326857942 /nfs/dbraw/zinc/85/79/42/326857942.db2.gz AIDZBNBIURRKQG-OAHLLOKOSA-N 1 0 279.742 3.302 50 0 CGAARO [NH3+][C@H]1CCCSc2ccc(Br)cc21 ZINC000037381674 333246487 /nfs/dbraw/zinc/24/64/87/333246487.db2.gz NNWBUTIRYORUSD-VIFPVBQESA-N 1 0 258.184 3.335 50 0 CGAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000195561905 336056246 /nfs/dbraw/zinc/05/62/46/336056246.db2.gz ZXLCXUHMAFYUAN-ZDUSSCGKSA-N 1 0 268.360 3.210 50 0 CGAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccc4ccccc4n3)c2O1 ZINC000067867074 501036501 /nfs/dbraw/zinc/03/65/01/501036501.db2.gz 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/nfs/dbraw/zinc/76/82/01/618768201.db2.gz ZYXBLRKPGWIWAU-INIZCTEOSA-N 1 0 278.440 3.232 50 0 CGAARO c1cncc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000022078106 619379278 /nfs/dbraw/zinc/37/92/78/619379278.db2.gz ZBZHFLPQKHVHAB-RTBURBONSA-N 1 0 299.462 3.311 50 0 CGAARO CC(=O)N1CCC([C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000169781516 623058935 /nfs/dbraw/zinc/05/89/35/623058935.db2.gz KVAMJMSNGKOGAY-SFHVURJKSA-N 1 0 292.467 3.147 50 0 CGAARO COc1cc(OC)cc([C@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC000179583540 624665603 /nfs/dbraw/zinc/66/56/03/624665603.db2.gz LFPIRUBMYZTWNQ-LBPRGKRZSA-N 1 0 261.365 3.046 50 0 CGAARO Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000585081339 625929409 /nfs/dbraw/zinc/92/94/09/625929409.db2.gz HXJJPSRJEOXGQU-INIZCTEOSA-N 1 0 265.372 3.261 50 0 CGAARO c1ccc(Oc2ncccc2C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000011843741 625963603 /nfs/dbraw/zinc/96/36/03/625963603.db2.gz PMSAPRRZKISBMG-AWEZNQCLSA-N 1 0 284.359 3.000 50 0 CGAARO CCCC[C@@H]([NH3+])C(=O)N(Cc1ccc(C)s1)C1CC1 ZINC000952977570 636777308 /nfs/dbraw/zinc/77/73/08/636777308.db2.gz KHOBVKWGVCFIJW-CQSZACIVSA-N 1 0 280.437 3.065 50 0 CGAARO COCc1cccc(C[NH2+][C@H](C)c2cnc(C)s2)c1 ZINC000090402989 640677815 /nfs/dbraw/zinc/67/78/15/640677815.db2.gz NLERRNYTUMTKRC-LLVKDONJSA-N 1 0 276.405 3.449 50 0 CGAARO Cn1c(CN2CC[C@H](C(F)(F)F)C2(C)C)cnc1Cl ZINC000585091339 799677483 /nfs/dbraw/zinc/67/74/83/799677483.db2.gz OSDPRCUZNBHKAI-VIFPVBQESA-N 1 0 295.736 3.236 50 0 CGAARO Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000952861743 800684816 /nfs/dbraw/zinc/68/48/16/800684816.db2.gz JXELPJRJEUKUSR-HNNXBMFYSA-N 1 0 272.392 3.270 50 0 CGAARO C[C@@H](/C=C\c1cccs1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000952878085 800686039 /nfs/dbraw/zinc/68/60/39/800686039.db2.gz YTBKRCFRSOFTAY-ZFDPJTLLSA-N 1 0 293.432 3.425 50 0 CGAARO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3ccncc3)CC2)CCO1 ZINC000952880868 800687279 /nfs/dbraw/zinc/68/72/79/800687279.db2.gz DPMNVHCFRVGRFD-ZACQAIPSSA-N 1 0 288.435 3.466 50 0 CGAARO Cc1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000023280134 926834471 /nfs/dbraw/zinc/83/44/71/926834471.db2.gz GZDQPPLWKSTFRZ-UHFFFAOYSA-N 1 0 292.426 3.284 50 0 CGAARO CC[N@@H+](Cc1sc(C)nc1C)C[C@H]1CCCCO1 ZINC001506400788 937989456 /nfs/dbraw/zinc/98/94/56/937989456.db2.gz CJKLJCLPYNEQQV-CYBMUJFWSA-N 1 0 268.426 3.151 50 0 CGAARO C[NH+](C)C[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1 ZINC001506400324 937989653 /nfs/dbraw/zinc/98/96/53/937989653.db2.gz DOWVKRGDFGDVGS-GFCCVEGCSA-N 1 0 289.810 3.276 50 0 CGAARO Cn1cc(C[N@H+](Cc2ccsc2)C2CCCC2)cn1 ZINC001506399078 937989745 /nfs/dbraw/zinc/98/97/45/937989745.db2.gz JRJMLBQMNVHZJL-UHFFFAOYSA-N 1 0 275.421 3.426 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001506406425 937989828 /nfs/dbraw/zinc/98/98/28/937989828.db2.gz KLMNVSRMWIKRJM-LLVKDONJSA-N 1 0 295.789 3.416 50 0 CGAARO Cc1ccccc1OCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC001506415777 937989861 /nfs/dbraw/zinc/98/98/61/937989861.db2.gz CMFICBLEDJDUCZ-KRWDZBQOSA-N 1 0 296.414 3.242 50 0 CGAARO Cc1ccsc1C[N@@H+](C)C1CSCCSC1 ZINC001506417251 937989954 /nfs/dbraw/zinc/98/99/54/937989954.db2.gz HRNNZEMKZRKTJF-UHFFFAOYSA-N 1 0 273.492 3.337 50 0 CGAARO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529109558 938071083 /nfs/dbraw/zinc/07/10/83/938071083.db2.gz FMGGVDMPODWMCR-BKUVIOGVSA-N 1 0 285.840 3.383 50 0 CGAARO NC(=O)CC1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000098016212 230391088 /nfs/dbraw/zinc/39/10/88/230391088.db2.gz VKSQXCMVCKEAPE-QGZVFWFLSA-N 1 0 286.419 3.042 50 0 CGAARO c1cc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cs1 ZINC000095517709 185002820 /nfs/dbraw/zinc/00/28/20/185002820.db2.gz SLVCIJDWZQCTHN-GOEBONIOSA-N 1 0 276.449 3.054 50 0 CGAARO C[NH2+][C@H](COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000095627550 185016809 /nfs/dbraw/zinc/01/68/09/185016809.db2.gz NHSIHNJNEYLTBS-GFCCVEGCSA-N 1 0 260.164 3.370 50 0 CGAARO [NH3+][C@@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000095707591 185018040 /nfs/dbraw/zinc/01/80/40/185018040.db2.gz DSZKDNIUEMPRKJ-QGZVFWFLSA-N 1 0 278.399 3.199 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983770 185054344 /nfs/dbraw/zinc/05/43/44/185054344.db2.gz JSQPDEFUONEKJH-SWLSCSKDSA-N 1 0 279.355 3.162 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000095991124 185058480 /nfs/dbraw/zinc/05/84/80/185058480.db2.gz VGEGFDUJGRNSOG-STQMWFEESA-N 1 0 299.846 3.065 50 0 CGAARO CC(C)c1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000097034533 185156891 /nfs/dbraw/zinc/15/68/91/185156891.db2.gz BVHZRRVVZPWHHA-YUELXQCFSA-N 1 0 278.396 3.091 50 0 CGAARO Cc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000125669630 187195289 /nfs/dbraw/zinc/19/52/89/187195289.db2.gz GFDLUXJRUPUIKC-UHFFFAOYSA-N 1 0 281.403 3.467 50 0 CGAARO C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCCCO1 ZINC000126052866 187213170 /nfs/dbraw/zinc/21/31/70/187213170.db2.gz IMOAVUBNYQLUCA-HNNXBMFYSA-N 1 0 286.375 3.343 50 0 CGAARO C[NH+](C)[C@@H]1CC[C@@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000195553898 282208083 /nfs/dbraw/zinc/20/80/83/282208083.db2.gz XYLYTZVLICOVEU-LMMKCTJWSA-N 1 0 295.430 3.243 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)o1 ZINC000097016889 529706439 /nfs/dbraw/zinc/70/64/39/529706439.db2.gz TUZHPILDFNZIBB-MLGOLLRUSA-N 1 0 289.375 3.235 50 0 CGAARO CC[NH+](CC)CCNc1[nH]c(=S)nc2ccccc21 ZINC000000425498 344855167 /nfs/dbraw/zinc/85/51/67/344855167.db2.gz OCRGVHSQOIGXJD-UHFFFAOYSA-N 1 0 276.409 3.046 50 0 CGAARO C[C@H](C[NH2+]C(C)(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000034454677 344939536 /nfs/dbraw/zinc/93/95/36/344939536.db2.gz QGWPHKRZVNQLLD-GFCCVEGCSA-N 1 0 272.392 3.385 50 0 CGAARO C[NH+](C)C[C@@H](Cc1ccccc1)Oc1ccccc1 ZINC000059709900 345208337 /nfs/dbraw/zinc/20/83/37/345208337.db2.gz ILOQQMVMRLDBNX-QGZVFWFLSA-N 1 0 255.361 3.238 50 0 CGAARO CC[NH2+]C(C)(C)C(=O)c1c(C)n(C)c2ccccc21 ZINC000096027522 345901647 /nfs/dbraw/zinc/90/16/47/345901647.db2.gz KKGPBMCPWMHQBK-UHFFFAOYSA-N 1 0 258.365 3.058 50 0 CGAARO CCCCCC[C@H](C(=O)OCC)[NH+]1CCCCC1 ZINC000096026392 345901834 /nfs/dbraw/zinc/90/18/34/345901834.db2.gz SYHLDVISSBKQGI-CQSZACIVSA-N 1 0 255.402 3.374 50 0 CGAARO CCOC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000170646247 346196176 /nfs/dbraw/zinc/19/61/76/346196176.db2.gz ZUHXKZGISHJAHG-OAHLLOKOSA-N 1 0 282.428 3.167 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000217907294 346291466 /nfs/dbraw/zinc/29/14/66/346291466.db2.gz DXORHDLHFIBRBN-KGLIPLIRSA-N 1 0 282.428 3.355 50 0 CGAARO FC(F)CN1CCC[N@@H+]([C@@H]2C=CCCCCC2)CC1 ZINC000253394885 346394467 /nfs/dbraw/zinc/39/44/67/346394467.db2.gz ZJIKVAPKMBNTJN-CQSZACIVSA-N 1 0 272.383 3.148 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584889716 346722048 /nfs/dbraw/zinc/72/20/48/346722048.db2.gz FUXRPDQOWHUJEV-HNNXBMFYSA-N 1 0 283.419 3.421 50 0 CGAARO C[C@@H]([NH3+])c1ccc(Cl)cc1OCC(F)(F)F ZINC000601014823 347852647 /nfs/dbraw/zinc/85/26/47/347852647.db2.gz VVELNZAEXQZRIA-ZCFIWIBFSA-N 1 0 253.651 3.301 50 0 CGAARO CC(C)c1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617341549 348949586 /nfs/dbraw/zinc/94/95/86/348949586.db2.gz SZIPRPNHQFGRCL-INIZCTEOSA-N 1 0 288.435 3.413 50 0 CGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000091707919 180230958 /nfs/dbraw/zinc/23/09/58/180230958.db2.gz WLTYXDBTRSUIAJ-GOSISDBHSA-N 1 0 288.435 3.321 50 0 CGAARO CC[C@@H](C[NH2+][C@H]1CCn2ccnc21)Oc1ccccc1C ZINC000296862001 200017991 /nfs/dbraw/zinc/01/79/91/200017991.db2.gz NOZRXFJMBHMYML-GJZGRUSLSA-N 1 0 285.391 3.084 50 0 CGAARO Cn1cncc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000176996094 189019817 /nfs/dbraw/zinc/01/98/17/189019817.db2.gz XZJYTYQDSNPAML-UHFFFAOYSA-N 1 0 283.419 3.265 50 0 CGAARO C[C@H]1CC[N@H+](CCCn2ccnc2)[C@H](c2ccco2)C1 ZINC000183183365 189349105 /nfs/dbraw/zinc/34/91/05/189349105.db2.gz NUNDUXKGDUPTGV-GJZGRUSLSA-N 1 0 273.380 3.339 50 0 CGAARO C[NH+]1CCC(NC(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186982884 189456273 /nfs/dbraw/zinc/45/62/73/189456273.db2.gz DRJXFORFTJJMLC-UHFFFAOYSA-N 1 0 297.349 3.014 50 0 CGAARO C[C@H](OC(=O)c1cccc(Cl)c1)c1ccc[n+](C)c1 ZINC000000136717 368299350 /nfs/dbraw/zinc/29/93/50/368299350.db2.gz LOHVXYBNTCZGRG-NSHDSACASA-N 1 0 276.743 3.083 50 0 CGAARO CSc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000172215 368308375 /nfs/dbraw/zinc/30/83/75/368308375.db2.gz XGAZJZDLJSKGCA-UHFFFAOYSA-N 1 0 287.384 3.427 50 0 CGAARO COc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1O ZINC000000189602 368312007 /nfs/dbraw/zinc/31/20/07/368312007.db2.gz RTCKOLLOWGYZCT-QGZVFWFLSA-N 1 0 294.354 3.117 50 0 biogenic CGAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000253804 368325977 /nfs/dbraw/zinc/32/59/77/368325977.db2.gz LJACRDNWPDYOBI-LBPRGKRZSA-N 1 0 280.799 3.401 50 0 CGAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000000292064 368334696 /nfs/dbraw/zinc/33/46/96/368334696.db2.gz KDFFRQMHPCMUQQ-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO Brc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000000359781 368346782 /nfs/dbraw/zinc/34/67/82/368346782.db2.gz RQBVNWAMLAQRLY-UHFFFAOYSA-N 1 0 277.165 3.134 50 0 CGAARO OCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000000761374 368394723 /nfs/dbraw/zinc/39/47/23/368394723.db2.gz JCLYGGZHAXSCJB-UHFFFAOYSA-N 1 0 275.779 3.335 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(C)s2)cc1OC ZINC000002178120 368448630 /nfs/dbraw/zinc/44/86/30/368448630.db2.gz AHAYYYRPKQCEJC-UHFFFAOYSA-N 1 0 291.416 3.406 50 0 CGAARO CC[NH+](CC)CCNC(=O)Nc1cccc2ccccc21 ZINC000001669875 368429277 /nfs/dbraw/zinc/42/92/77/368429277.db2.gz JMDJIKCRZAJHMI-UHFFFAOYSA-N 1 0 285.391 3.303 50 0 CGAARO CC[NH2+]CC1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000001831804 368439123 /nfs/dbraw/zinc/43/91/23/368439123.db2.gz QIPNSJQHARFBRZ-UHFFFAOYSA-N 1 0 263.381 3.125 50 0 biogenic CGAARO CC(C)C[C@H]([NH3+])C(=O)Nc1cccc2ccccc21 ZINC000002575108 368466113 /nfs/dbraw/zinc/46/61/13/368466113.db2.gz VLGDNYIGYOVDNV-AWEZNQCLSA-N 1 0 256.349 3.152 50 0 CGAARO C[N@@H+]1CCC[C@H](OC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000003299173 368502131 /nfs/dbraw/zinc/50/21/31/368502131.db2.gz HGPQSESOCXUHDE-JTQLQIEISA-N 1 0 288.174 3.244 50 0 CGAARO CCOc1ccccc1OCCC[NH+]1CCCCC1 ZINC000002932172 368485548 /nfs/dbraw/zinc/48/55/48/368485548.db2.gz IJNUTLMZGDZHQP-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO c1ccc2c(c1)N[C@@H]1[C@@H]2CC[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@H]12 ZINC000003999123 368526286 /nfs/dbraw/zinc/52/62/86/368526286.db2.gz LKHAUIVLOLWBIF-DETOBHCWSA-N 1 0 268.404 3.459 50 0 biogenic CGAARO O[C@]12CCCC[C@@H]1[C@H](c1c(F)cccc1Cl)[NH2+]CC2 ZINC000004031360 368526906 /nfs/dbraw/zinc/52/69/06/368526906.db2.gz VRKYTJBOOFTEQT-KMUNFCNLSA-N 1 0 283.774 3.435 50 0 CGAARO CC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004578773 368551859 /nfs/dbraw/zinc/55/18/59/368551859.db2.gz DIMKAZZDTZBEBY-SFHVURJKSA-N 1 0 296.414 3.038 50 0 CGAARO [NH3+]CCCCC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000004237853 368538003 /nfs/dbraw/zinc/53/80/03/368538003.db2.gz QTPAKWYRDDFXGJ-LBPRGKRZSA-N 1 0 261.287 3.258 50 0 CGAARO c1ccc(OCCN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000004549981 368550634 /nfs/dbraw/zinc/55/06/34/368550634.db2.gz YZYGTKSNCLVHBU-UHFFFAOYSA-N 1 0 293.370 3.152 50 0 CGAARO CC(C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010337475 368579345 /nfs/dbraw/zinc/57/93/45/368579345.db2.gz SAHGPFPFTIWZTB-UHFFFAOYSA-N 1 0 288.435 3.448 50 0 CGAARO Fc1cccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000011936597 368600647 /nfs/dbraw/zinc/60/06/47/368600647.db2.gz WRBGXZILUDVGEP-OAHLLOKOSA-N 1 0 287.382 3.394 50 0 CGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CCC1 ZINC000012297715 368606862 /nfs/dbraw/zinc/60/68/62/368606862.db2.gz HYFYLLCFGPZXTA-OAHLLOKOSA-N 1 0 278.440 3.090 50 0 CGAARO CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000017023911 368726571 /nfs/dbraw/zinc/72/65/71/368726571.db2.gz ATIPBEDTLDFXQF-UHFFFAOYSA-N 1 0 295.814 3.254 50 0 CGAARO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000016604554 368717081 /nfs/dbraw/zinc/71/70/81/368717081.db2.gz FOXHGPVIARDMGY-UHFFFAOYSA-N 1 0 292.448 3.147 50 0 CGAARO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000014171619 368676428 /nfs/dbraw/zinc/67/64/28/368676428.db2.gz WXLLLRBGIOBVHF-UHFFFAOYSA-N 1 0 284.359 3.005 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2)CCCCCC1 ZINC000014903391 368687575 /nfs/dbraw/zinc/68/75/75/368687575.db2.gz SRPIWSMYNFSLNE-UHFFFAOYSA-N 1 0 292.398 3.210 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1ccccc1Cl ZINC000019606653 368758968 /nfs/dbraw/zinc/75/89/68/368758968.db2.gz VOWVXCDFCUXHHS-UHFFFAOYSA-N 1 0 260.768 3.410 50 0 CGAARO CCN(CC)CC[N@H+](C)[C@H](C)CCc1ccccc1 ZINC000019636950 368759785 /nfs/dbraw/zinc/75/97/85/368759785.db2.gz UVPMHKWYOHYMCI-MRXNPFEDSA-N 1 0 262.441 3.281 50 0 CGAARO Clc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019701999 368760267 /nfs/dbraw/zinc/76/02/67/368760267.db2.gz UZKBSZSTDQSMDR-KRWDZBQOSA-N 1 0 286.806 3.335 50 0 in-vitro CGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC000019900030 368775868 /nfs/dbraw/zinc/77/58/68/368775868.db2.gz YWELIDWDNSNHJQ-GDBMZVCRSA-N 1 0 250.430 3.125 50 0 CGAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020102912 368802333 /nfs/dbraw/zinc/80/23/33/368802333.db2.gz XRVOPRVTJLJEMR-OAHLLOKOSA-N 1 0 288.435 3.122 50 0 CGAARO [NH3+]CCN[C@@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000022917555 368814824 /nfs/dbraw/zinc/81/48/24/368814824.db2.gz QHMZRIOWDJQBHT-HNNXBMFYSA-N 1 0 294.320 3.343 50 0 CGAARO CCC[N@@H+](Cc1ccc(O)c(OCC)c1)CC1CC1 ZINC000023281638 368819633 /nfs/dbraw/zinc/81/96/33/368819633.db2.gz RFABSKHDVBYLCN-UHFFFAOYSA-N 1 0 263.381 3.413 50 0 CGAARO COc1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000023283419 368820515 /nfs/dbraw/zinc/82/05/15/368820515.db2.gz YHBHOUYJBLKKRD-KRWDZBQOSA-N 1 0 267.372 3.342 50 0 CGAARO COCCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280784 368820611 /nfs/dbraw/zinc/82/06/11/368820611.db2.gz SZNOCWIMVUDHPF-LLVKDONJSA-N 1 0 275.314 3.263 50 0 CGAARO COc1cccc(CNCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000019912863 368781554 /nfs/dbraw/zinc/78/15/54/368781554.db2.gz YXJOJKZIRQOMLN-OAHLLOKOSA-N 1 0 276.424 3.049 50 0 CGAARO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000032851011 368948147 /nfs/dbraw/zinc/94/81/47/368948147.db2.gz MUXYFWYYDQWLOH-KRWDZBQOSA-N 1 0 282.387 3.417 50 0 CGAARO CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccncc3)no2)C1 ZINC000032928738 368953878 /nfs/dbraw/zinc/95/38/78/368953878.db2.gz XCCXJSVQADXRJN-QWHCGFSZSA-N 1 0 286.379 3.315 50 0 CGAARO CCC[C@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037031597 369054534 /nfs/dbraw/zinc/05/45/34/369054534.db2.gz ZHISISWWPBYLEY-RYUDHWBXSA-N 1 0 298.839 3.121 50 0 CGAARO Cc1ccsc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000037986416 369133596 /nfs/dbraw/zinc/13/35/96/369133596.db2.gz FQCBFYWRWSEENW-ZDUSSCGKSA-N 1 0 259.374 3.150 50 0 CGAARO c1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n[nH]1 ZINC000041014617 369169245 /nfs/dbraw/zinc/16/92/45/369169245.db2.gz DQGBSTMRVHDCHZ-GOSISDBHSA-N 1 0 277.371 3.483 50 0 CGAARO CC[N@H+](CCCCO)Cc1cccc2c(C)c(C)[nH]c21 ZINC000219121678 376195080 /nfs/dbraw/zinc/19/50/80/376195080.db2.gz LOCPKMFICHZMQF-UHFFFAOYSA-N 1 0 274.408 3.379 50 0 CGAARO FC(F)(F)c1ccc(OCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000042774208 369232242 /nfs/dbraw/zinc/23/22/42/369232242.db2.gz MRIDUPACKNTXRV-NSHDSACASA-N 1 0 274.286 3.011 50 0 CGAARO CCCc1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774491 369232263 /nfs/dbraw/zinc/23/22/63/369232263.db2.gz DPZILOYOLDBCKU-LBPRGKRZSA-N 1 0 284.197 3.142 50 0 CGAARO Cc1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770634 369230956 /nfs/dbraw/zinc/23/09/56/369230956.db2.gz PSDYERAKTFUBMQ-GFCCVEGCSA-N 1 0 253.773 3.417 50 0 CGAARO c1ccc(COc2ccc(OC[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773043 369231294 /nfs/dbraw/zinc/23/12/94/369231294.db2.gz XMFIYYINTKEFJE-MRXNPFEDSA-N 1 0 283.371 3.254 50 0 CGAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000042772941 369231374 /nfs/dbraw/zinc/23/13/74/369231374.db2.gz ITZODCBDAJZAFF-GFCCVEGCSA-N 1 0 253.773 3.417 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)s1 ZINC000048324541 369341518 /nfs/dbraw/zinc/34/15/18/369341518.db2.gz SSDNKTZKLQJFHH-SNVBAGLBSA-N 1 0 286.828 3.006 50 0 CGAARO CC[N@@H+]1CCCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000058203363 369558001 /nfs/dbraw/zinc/55/80/01/369558001.db2.gz VBWQKXHMGJXBLB-UHFFFAOYSA-N 1 0 297.402 3.399 50 0 CGAARO O=C(Nc1ccccc1)NC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000058427929 369569128 /nfs/dbraw/zinc/56/91/28/369569128.db2.gz RQJUORFMFHHXIL-KRWDZBQOSA-N 1 0 299.418 3.381 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCN[C@]23CCC[C@H](C)C3)cc1 ZINC000064459869 369652746 /nfs/dbraw/zinc/65/27/46/369652746.db2.gz FRWYTSJFCDSONF-LPHOPBHVSA-N 1 0 299.462 3.425 50 0 biogenic CGAARO CCc1nc(C)c(C[NH+]2CCC(c3ccncc3)CC2)[nH]1 ZINC000065396223 369672899 /nfs/dbraw/zinc/67/28/99/369672899.db2.gz CVXYXVBECRUAKP-UHFFFAOYSA-N 1 0 284.407 3.055 50 0 CGAARO c1ncn(-c2ccccc2C[NH2+]C2CCCCCC2)n1 ZINC000065420063 369674139 /nfs/dbraw/zinc/67/41/39/369674139.db2.gz IVZOPUKTTRMPRJ-UHFFFAOYSA-N 1 0 270.380 3.080 50 0 CGAARO C[C@@H](c1cccc(-c2nccnc2N(C)C)c1)[NH+]1CCCC1 ZINC000065436166 369675727 /nfs/dbraw/zinc/67/57/27/369675727.db2.gz XCNLBWKQMFJSGE-AWEZNQCLSA-N 1 0 296.418 3.366 50 0 CGAARO C[C@@H](c1cccc(-c2ccccc2C(N)=O)c1)[NH+](C)C ZINC000065462962 369677259 /nfs/dbraw/zinc/67/72/59/369677259.db2.gz WBSKBCPAWXZMOP-LBPRGKRZSA-N 1 0 268.360 3.075 50 0 CGAARO Cc1nnsc1C[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000065499351 369679221 /nfs/dbraw/zinc/67/92/21/369679221.db2.gz WIQQAQLYGBLHEB-LBPRGKRZSA-N 1 0 275.421 3.472 50 0 CGAARO Cc1cccnc1C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000065508807 369680995 /nfs/dbraw/zinc/68/09/95/369680995.db2.gz JDFBIDKQCCAXQB-AWEZNQCLSA-N 1 0 266.388 3.078 50 0 CGAARO C=Cc1cccc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c1 ZINC000067541928 369720788 /nfs/dbraw/zinc/72/07/88/369720788.db2.gz SFKSDMLXVFOLPO-KRWDZBQOSA-N 1 0 286.419 3.068 50 0 CGAARO CC(C)Cc1nc(-c2cccc([C@@H](C)[NH+](C)C)c2)n[nH]1 ZINC000065535571 369682801 /nfs/dbraw/zinc/68/28/01/369682801.db2.gz ATBGMVUVBIGBQA-GFCCVEGCSA-N 1 0 272.396 3.293 50 0 CGAARO Clc1cccc(-c2noc([C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000068592406 369745308 /nfs/dbraw/zinc/74/53/08/369745308.db2.gz QSBAZMORFIMCHS-GFCCVEGCSA-N 1 0 289.766 3.247 50 0 CGAARO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000069368976 369758085 /nfs/dbraw/zinc/75/80/85/369758085.db2.gz OCKHFZRTJFOAKB-SIEMXDPISA-N 1 0 285.391 3.144 50 0 CGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000069371328 369758096 /nfs/dbraw/zinc/75/80/96/369758096.db2.gz CKESURYBOIZJNK-ZDUSSCGKSA-N 1 0 298.415 3.185 50 0 CGAARO C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H](C)n1cccn1 ZINC000069414758 369759018 /nfs/dbraw/zinc/75/90/18/369759018.db2.gz WOXCOILEFBGPOT-LZPJFDPBSA-N 1 0 255.365 3.136 50 0 CGAARO CCC[C@H](C)C(=O)NCCCCCCC[NH+](C)C ZINC000069416654 369759411 /nfs/dbraw/zinc/75/94/11/369759411.db2.gz KCVHCZXVUWHTEG-AWEZNQCLSA-N 1 0 256.434 3.051 50 0 CGAARO C[C@H](c1cccc(-c2cnc3n[nH]nc3c2)c1)[NH+]1CCCC1 ZINC000067690786 369726220 /nfs/dbraw/zinc/72/62/20/369726220.db2.gz SYEWMXWEDVFEBR-GFCCVEGCSA-N 1 0 293.374 3.177 50 0 CGAARO CCC[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1N(C)C ZINC000082125472 369999924 /nfs/dbraw/zinc/99/99/24/369999924.db2.gz ACPVLMVIHADNHK-SJLPKXTDSA-N 1 0 285.435 3.330 50 0 CGAARO Cc1ccc(C[NH2+]C2CCOCC2)c(OC(C)(C)C)c1 ZINC000084958776 370016515 /nfs/dbraw/zinc/01/65/15/370016515.db2.gz GRTGMJJWKSIEHB-UHFFFAOYSA-N 1 0 277.408 3.441 50 0 CGAARO Cc1cccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000088685053 370036977 /nfs/dbraw/zinc/03/69/77/370036977.db2.gz MFQLFQSPNIRQRK-HNAYVOBHSA-N 1 0 295.430 3.000 50 0 CGAARO CN1CC[C@H]([NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089808461 370048091 /nfs/dbraw/zinc/04/80/91/370048091.db2.gz BSYMGZQRIWDMRZ-HOTGVXAUSA-N 1 0 289.810 3.203 50 0 CGAARO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cs1 ZINC000090049637 370054043 /nfs/dbraw/zinc/05/40/43/370054043.db2.gz ZQCWKXJMOQHFCS-HBNTYKKESA-N 1 0 254.399 3.095 50 0 CGAARO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCSc3ccccc32)[nH]n1 ZINC000090528034 370061777 /nfs/dbraw/zinc/06/17/77/370061777.db2.gz GHZPKDDZQIWUFR-XHDPSFHLSA-N 1 0 287.432 3.476 50 0 CGAARO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418541 370186357 /nfs/dbraw/zinc/18/63/57/370186357.db2.gz ILHBBIMBLCQLBY-WFASDCNBSA-N 1 0 290.794 3.139 50 0 CGAARO c1cc2c(cccc2C[NH2+]Cc2cn3ccsc3n2)[nH]1 ZINC000095348565 370178093 /nfs/dbraw/zinc/17/80/93/370178093.db2.gz JXYVXFDZCSWBMM-UHFFFAOYSA-N 1 0 282.372 3.167 50 0 CGAARO C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644645 370153820 /nfs/dbraw/zinc/15/38/20/370153820.db2.gz VUYHCFRHTOSXFK-RISCZKNCSA-N 1 0 284.806 3.394 50 0 CGAARO C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@H]1CCOC1 ZINC000093839904 370165273 /nfs/dbraw/zinc/16/52/73/370165273.db2.gz BPMWDBASJCOSKV-MRXNPFEDSA-N 1 0 282.387 3.217 50 0 CGAARO Cc1[nH+]c2ccccc2c(NCc2ccc(C(N)=O)o2)c1C ZINC000097085985 370223630 /nfs/dbraw/zinc/22/36/30/370223630.db2.gz HRKBKNCVDVXHJF-UHFFFAOYSA-N 1 0 295.342 3.156 50 0 CGAARO CCNc1ccnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000097785642 370254013 /nfs/dbraw/zinc/25/40/13/370254013.db2.gz CSXWJNNISDJDKQ-GFCCVEGCSA-N 1 0 270.380 3.198 50 0 CGAARO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1sccc1Br ZINC000097378299 370241600 /nfs/dbraw/zinc/24/16/00/370241600.db2.gz GIWIMLQHMVPQJN-RKDXNWHRSA-N 1 0 292.242 3.007 50 0 CGAARO COCCC1CC[NH+](C/C=C/c2ccc(OC)cc2)CC1 ZINC000097568858 370246792 /nfs/dbraw/zinc/24/67/92/370246792.db2.gz FYLOFXMUXWDYJU-ONEGZZNKSA-N 1 0 289.419 3.457 50 0 CGAARO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418544 370186441 /nfs/dbraw/zinc/18/64/41/370186441.db2.gz ILHBBIMBLCQLBY-IUODEOHRSA-N 1 0 290.794 3.139 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)c2ccccc12 ZINC000095420174 370188363 /nfs/dbraw/zinc/18/83/63/370188363.db2.gz NMMWBSSLYDJBBE-CYBMUJFWSA-N 1 0 295.386 3.433 50 0 CGAARO C[C@@H](Cc1ccsc1)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000095422973 370190237 /nfs/dbraw/zinc/19/02/37/370190237.db2.gz PRORUKHPIGRFIJ-SMDDNHRTSA-N 1 0 281.446 3.238 50 0 CGAARO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423036 370190471 /nfs/dbraw/zinc/19/04/71/370190471.db2.gz GMSVGVDCHZKWLR-XHDPSFHLSA-N 1 0 279.380 3.446 50 0 CGAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cccc(O)c1 ZINC000095448890 370195617 /nfs/dbraw/zinc/19/56/17/370195617.db2.gz JVLZGOHPAZSEFI-PXAZEXFGSA-N 1 0 289.350 3.133 50 0 CGAARO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000095450159 370196474 /nfs/dbraw/zinc/19/64/74/370196474.db2.gz GCEBZCXFKZORBW-GJZGRUSLSA-N 1 0 290.794 3.281 50 0 CGAARO C[C@H](CC1CC1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095978011 370203410 /nfs/dbraw/zinc/20/34/10/370203410.db2.gz SARBOGBRIHFCJQ-IUODEOHRSA-N 1 0 290.382 3.099 50 0 CGAARO C[C@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+]1CCCC1 ZINC000096165018 370207451 /nfs/dbraw/zinc/20/74/51/370207451.db2.gz UBEIMHBWTFEYPU-CQSZACIVSA-N 1 0 296.418 3.366 50 0 CGAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000130068204 371010142 /nfs/dbraw/zinc/01/01/42/371010142.db2.gz QLQBUUOHTAZUNM-LOWVWBTDSA-N 1 0 291.313 3.198 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccco2)CC1 ZINC000133512989 371257787 /nfs/dbraw/zinc/25/77/87/371257787.db2.gz QACKVNBOTHNPBW-ZDUSSCGKSA-N 1 0 294.395 3.159 50 0 CGAARO Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cc(=O)[nH]1 ZINC000426414846 372157657 /nfs/dbraw/zinc/15/76/57/372157657.db2.gz XQHPOHVAZUEUMG-MRXNPFEDSA-N 1 0 297.402 3.116 50 0 CGAARO CC1(C)C[C@@H](O)CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000295251827 372718422 /nfs/dbraw/zinc/71/84/22/372718422.db2.gz QHQQQRAFCNEMJH-CWDCEQMOSA-N 1 0 277.383 3.322 50 0 CGAARO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCc1cccnc1 ZINC000172160451 372916300 /nfs/dbraw/zinc/91/63/00/372916300.db2.gz GIOUPBDLYOOHTK-CRAIPNDOSA-N 1 0 282.387 3.086 50 0 CGAARO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCc1cccnc1 ZINC000172160444 372917432 /nfs/dbraw/zinc/91/74/32/372917432.db2.gz GIOUPBDLYOOHTK-QAPCUYQASA-N 1 0 282.387 3.086 50 0 CGAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCCn3cccn3)c2C1 ZINC000179828183 373923621 /nfs/dbraw/zinc/92/36/21/373923621.db2.gz OSHUXGVGKOIMKR-OAHLLOKOSA-N 1 0 298.434 3.355 50 0 CGAARO c1cc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)co1 ZINC000084618103 541933599 /nfs/dbraw/zinc/93/35/99/541933599.db2.gz OARVAWFFHSJCMR-CYBMUJFWSA-N 1 0 273.336 3.094 50 0 CGAARO COc1ccccc1/C=C/C[N@H+](C)Cc1ccncc1 ZINC000183736681 374448132 /nfs/dbraw/zinc/44/81/32/374448132.db2.gz CVLJZIZLOVCWMD-FNORWQNLSA-N 1 0 268.360 3.235 50 0 CGAARO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000091315048 541967048 /nfs/dbraw/zinc/96/70/48/541967048.db2.gz JPGICUGNYWXNDE-AEFFLSMTSA-N 1 0 281.403 3.247 50 0 CGAARO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)s2)C[C@@H]1C ZINC000095404809 541991672 /nfs/dbraw/zinc/99/16/72/541991672.db2.gz GUCMRPRBYRSRKH-JQWIXIFHSA-N 1 0 281.425 3.051 50 0 CGAARO Cc1cccnc1NC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000095394185 541991703 /nfs/dbraw/zinc/99/17/03/541991703.db2.gz ZTHMQQRWDZQMDI-MRXNPFEDSA-N 1 0 299.418 3.149 50 0 CGAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C(C)C)[C@H]1C ZINC000256003427 190001032 /nfs/dbraw/zinc/00/10/32/190001032.db2.gz TZKMUTIJRAEZBG-YOEHRIQHSA-N 1 0 275.392 3.338 50 0 CGAARO C[C@H](C[NH2+]C[C@@H]1CCC=CO1)c1nc(-c2ccccc2)no1 ZINC000194532691 376014422 /nfs/dbraw/zinc/01/44/22/376014422.db2.gz ZAQNVLZOCOZROS-HIFRSBDPSA-N 1 0 299.374 3.122 50 0 CGAARO CCN(CC[C@H](C)SC)Cc1nc(C(C)C)no1 ZINC000215611363 376150846 /nfs/dbraw/zinc/15/08/46/376150846.db2.gz NQUOZTWEWDMLJW-NSHDSACASA-N 1 0 271.430 3.157 50 0 CGAARO CSCCC[N@H+](C)Cc1cccc2cnccc21 ZINC000216123751 376159410 /nfs/dbraw/zinc/15/94/10/376159410.db2.gz DKVXNXQAVVLHMN-UHFFFAOYSA-N 1 0 260.406 3.420 50 0 CGAARO CO[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000216443304 376163479 /nfs/dbraw/zinc/16/34/79/376163479.db2.gz KNLNYZZNCGFBGK-SFHVURJKSA-N 1 0 297.398 3.486 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CC2(O)CCC2)o1 ZINC000225392728 376306334 /nfs/dbraw/zinc/30/63/34/376306334.db2.gz BRVYJTRXMFMUDV-UHFFFAOYSA-N 1 0 289.350 3.399 50 0 CGAARO Cc1nc(CC[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cs1 ZINC000243914710 376788596 /nfs/dbraw/zinc/78/85/96/376788596.db2.gz BJUSJYQEVWFHPN-ZDUSSCGKSA-N 1 0 289.448 3.260 50 0 CGAARO C[N@H+](CCCSc1ccccc1)C[C@@H]1CCOC1 ZINC000244723743 376795509 /nfs/dbraw/zinc/79/55/09/376795509.db2.gz MGPPOOZXZCYMTO-AWEZNQCLSA-N 1 0 265.422 3.137 50 0 CGAARO COCCn1cncc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000244626563 376793014 /nfs/dbraw/zinc/79/30/14/376793014.db2.gz FNWMGBWXBQSTMT-GOSISDBHSA-N 1 0 299.418 3.175 50 0 CGAARO C[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)Cn1ccnc1 ZINC000249284508 377487236 /nfs/dbraw/zinc/48/72/36/377487236.db2.gz OUPKWFSLEXWTCY-UPJWGTAASA-N 1 0 289.345 3.230 50 0 CGAARO Clc1ccccc1[C@@H]1CC[N@H+](CCc2cn[nH]c2)C1 ZINC000252509516 377635769 /nfs/dbraw/zinc/63/57/69/377635769.db2.gz YOXXUYIGCXPSRK-CYBMUJFWSA-N 1 0 275.783 3.095 50 0 CGAARO C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(Cl)cc1F ZINC000253415712 377689721 /nfs/dbraw/zinc/68/97/21/377689721.db2.gz LJFUKPOCQBRAHS-SNVBAGLBSA-N 1 0 299.777 3.037 50 0 CGAARO CCc1nsc(N(CC[NH+]2CCCCCC2)C(C)C)n1 ZINC000253418889 377691051 /nfs/dbraw/zinc/69/10/51/377691051.db2.gz CZAPJANNKUBBOC-UHFFFAOYSA-N 1 0 296.484 3.191 50 0 CGAARO Cc1nccn1CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000253369872 377686571 /nfs/dbraw/zinc/68/65/71/377686571.db2.gz JGJFVNHVMBJDEL-QAPCUYQASA-N 1 0 299.418 3.044 50 0 CGAARO CCC(=O)N1CCC(n2c(C)cnc2-c2ccccc2)CC1 ZINC000257179777 377794193 /nfs/dbraw/zinc/79/41/93/377794193.db2.gz JKOCAWZUEJXQFK-UHFFFAOYSA-N 1 0 297.402 3.432 50 0 CGAARO CC(=O)N1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257182739 377794529 /nfs/dbraw/zinc/79/45/29/377794529.db2.gz QAMZARUTAYTUGH-KRWDZBQOSA-N 1 0 286.419 3.080 50 0 CGAARO CCn1nc(C[NH2+][C@H](C)CC(C)(C)OC)c2ccccc21 ZINC000274380830 378822425 /nfs/dbraw/zinc/82/24/25/378822425.db2.gz AICFDUGYQFYWML-CYBMUJFWSA-N 1 0 289.423 3.349 50 0 CGAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000409421131 380030865 /nfs/dbraw/zinc/03/08/65/380030865.db2.gz MIRAVWJGAMSXAF-INIZCTEOSA-N 1 0 289.423 3.244 50 0 CGAARO CC(C)c1noc([C@H](C)[NH+]2C[C@@H]3CC=CC[C@H]3C2)n1 ZINC000257365613 542354624 /nfs/dbraw/zinc/35/46/24/542354624.db2.gz 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WLSVHQODZRHPRC-UHFFFAOYSA-N 1 0 296.480 3.448 50 0 CGAARO Cc1ccc([C@@H](C)CC[N@H+](C)CCn2ccnc2C)o1 ZINC000215267168 392987798 /nfs/dbraw/zinc/98/77/98/392987798.db2.gz WUPFLTVCRRTQRO-ZDUSSCGKSA-N 1 0 275.396 3.219 50 0 CGAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@]1(C)CO ZINC000546809232 393074395 /nfs/dbraw/zinc/07/43/95/393074395.db2.gz CIFZOFMIRGREED-OAHLLOKOSA-N 1 0 292.404 3.058 50 0 CGAARO NC(=O)c1csc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000585089220 542768571 /nfs/dbraw/zinc/76/85/71/542768571.db2.gz HFCSXPSKACCHAS-AWEZNQCLSA-N 1 0 278.421 3.002 50 0 CGAARO Cc1ccc(-c2cccc(C[N@@H+](C)[C@@H]3CCN(C)C3)c2)o1 ZINC000670438011 543154292 /nfs/dbraw/zinc/15/42/92/543154292.db2.gz PNUXFWWWOCQDNO-QGZVFWFLSA-N 1 0 284.403 3.391 50 0 CGAARO CCCCc1ccc(C(=O)NCc2cncn2C2CC2)cc1 ZINC000670450018 543155694 /nfs/dbraw/zinc/15/56/94/543155694.db2.gz OEMXBSJZFYBYEB-UHFFFAOYSA-N 1 0 297.402 3.491 50 0 CGAARO Oc1cccc(CN2CC[NH+](CC3=CCCCC3)CC2)c1 ZINC000670461416 543156569 /nfs/dbraw/zinc/15/65/69/543156569.db2.gz NTGRLXYJNBUASQ-UHFFFAOYSA-N 1 0 286.419 3.010 50 0 CGAARO COc1ccc2c(c1)CC[N@@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC000670463522 543156242 /nfs/dbraw/zinc/15/62/42/543156242.db2.gz IQGHQLULVLRDSF-UHFFFAOYSA-N 1 0 293.370 3.130 50 0 CGAARO Cc1cc2n(n1)CC[N@H+](CCCCc1ccccc1)C2 ZINC000670446586 543155208 /nfs/dbraw/zinc/15/52/08/543155208.db2.gz MKHAUMQHVYINSB-UHFFFAOYSA-N 1 0 269.392 3.030 50 0 CGAARO CC[C@@H](C)c1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC000020059618 397604960 /nfs/dbraw/zinc/60/49/60/397604960.db2.gz GKPDODWZETYLMS-MRXNPFEDSA-N 1 0 290.451 3.216 50 0 CGAARO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000023549856 286882740 /nfs/dbraw/zinc/88/27/40/286882740.db2.gz GMHNZEXGQLXEMJ-OAHLLOKOSA-N 1 0 261.365 3.167 50 0 CGAARO C[C@@H](c1ccccc1)N(CC1CC1)C[C@@H]1CCC[NH2+]1 ZINC000032590313 287146373 /nfs/dbraw/zinc/14/63/73/287146373.db2.gz BFHYKONEHGHPNH-YOEHRIQHSA-N 1 0 258.409 3.212 50 0 CGAARO CC[NH+](CC)CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001781570 169757230 /nfs/dbraw/zinc/75/72/30/169757230.db2.gz BQHVIMLXURNCBU-UHFFFAOYSA-N 1 0 289.206 3.065 50 0 CGAARO COCCC[NH2+]CCOc1cc(C)cc(C(C)C)c1 ZINC000003003682 169849186 /nfs/dbraw/zinc/84/91/86/169849186.db2.gz LMTOJDDVSZWAJP-UHFFFAOYSA-N 1 0 265.397 3.123 50 0 CGAARO COCCC[NH2+]CCOc1ccc(C(C)(C)C)cc1C ZINC000003460410 169889691 /nfs/dbraw/zinc/88/96/91/169889691.db2.gz LJWYEPCDJQDTIN-UHFFFAOYSA-N 1 0 279.424 3.297 50 0 CGAARO COCCCNc1c2c([nH+]c3ccccc31)CCC2 ZINC000004135401 169937131 /nfs/dbraw/zinc/93/71/31/169937131.db2.gz DFVWQIIXQRFDOU-UHFFFAOYSA-N 1 0 256.349 3.172 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccccc2C=O)C1 ZINC000004841246 170027694 /nfs/dbraw/zinc/02/76/94/170027694.db2.gz IFEGIWXOPJRHIY-HUUCEWRRSA-N 1 0 275.392 3.246 50 0 CGAARO CN(C(=O)Nc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000004856446 170030896 /nfs/dbraw/zinc/03/08/96/170030896.db2.gz INJMSHREBMRQLQ-UHFFFAOYSA-N 1 0 297.402 3.398 50 0 CGAARO COc1ccc(C[N@H+](C)C2CCCCC2)cc1OC ZINC000004987286 170049686 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170229302 /nfs/dbraw/zinc/22/93/02/170229302.db2.gz MWEMMBVTTMRCKO-UHFFFAOYSA-N 1 0 255.361 3.266 50 0 CGAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000006727158 170233696 /nfs/dbraw/zinc/23/36/96/170233696.db2.gz CNBRLJOTYABTEG-UHFFFAOYSA-N 1 0 295.814 3.336 50 0 CGAARO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCCCCC1 ZINC000006729845 170234865 /nfs/dbraw/zinc/23/48/65/170234865.db2.gz AOSCCQSYRISTMC-UHFFFAOYSA-N 1 0 280.799 3.463 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(C)s2)cc1 ZINC000007736226 170299779 /nfs/dbraw/zinc/29/97/79/170299779.db2.gz AXOOAGAJNQOFBJ-UHFFFAOYSA-N 1 0 261.390 3.397 50 0 CGAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+](C)C ZINC000008717962 170349218 /nfs/dbraw/zinc/34/92/18/170349218.db2.gz JWCLNUFGJNQCBL-UHFFFAOYSA-N 1 0 288.391 3.345 50 0 CGAARO CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000016605626 170704772 /nfs/dbraw/zinc/70/47/72/170704772.db2.gz FJMLCIWMZYQIQK-KRWDZBQOSA-N 1 0 288.435 3.169 50 0 CGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019637316 170833124 /nfs/dbraw/zinc/83/31/24/170833124.db2.gz NSCVTMGYYPFBSJ-AEFFLSMTSA-N 1 0 272.436 3.383 50 0 CGAARO Fc1ccccc1OCC[N@@H+]1CCc2ccccc2C1 ZINC000020324886 171151218 /nfs/dbraw/zinc/15/12/18/171151218.db2.gz SXMHAXCJGOFWPN-UHFFFAOYSA-N 1 0 271.335 3.263 50 0 CGAARO C[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1Cl ZINC000020360996 171159141 /nfs/dbraw/zinc/15/91/41/171159141.db2.gz GIAHCGUCBZLYHK-GFCCVEGCSA-N 1 0 263.772 3.277 50 0 CGAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)cc1)Cc1cccnc1 ZINC000020586570 171259579 /nfs/dbraw/zinc/25/95/79/171259579.db2.gz CEZABXJSWHFQMV-UHFFFAOYSA-N 1 0 278.359 3.104 50 0 CGAARO COCC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000020785353 171272605 /nfs/dbraw/zinc/27/26/05/171272605.db2.gz ANGINWJJKGYKAR-IRXDYDNUSA-N 1 0 259.393 3.149 50 0 CGAARO Cc1n[nH]c(CCC[N@@H+]2CCC[C@H](c3cccc(C)c3)C2)n1 ZINC000020913407 171279491 /nfs/dbraw/zinc/27/94/91/171279491.db2.gz FOEMUJFQYCGYNO-KRWDZBQOSA-N 1 0 298.434 3.234 50 0 CGAARO COc1ccc(C[NH2+]CC(C)C)cc1Br ZINC000020927618 171280353 /nfs/dbraw/zinc/28/03/53/171280353.db2.gz VHXWOKVCYYRDPD-UHFFFAOYSA-N 1 0 272.186 3.203 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)Nc1cccs1)c1ccsc1 ZINC000022766866 171398447 /nfs/dbraw/zinc/39/84/47/171398447.db2.gz CFMACYDYJBMTFH-LLVKDONJSA-N 1 0 295.433 3.234 50 0 CGAARO COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000022924291 171403490 /nfs/dbraw/zinc/40/34/90/171403490.db2.gz VGMWHPYDEMCXHY-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO C[C@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000035587968 172287073 /nfs/dbraw/zinc/28/70/73/172287073.db2.gz BSEBOXRPIWDTLS-WMLDXEAASA-N 1 0 282.387 3.108 50 0 CGAARO C[NH2+]CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000036379789 172627413 /nfs/dbraw/zinc/62/74/13/172627413.db2.gz MSXJPEDQDWULSW-UHFFFAOYSA-N 1 0 261.344 3.148 50 0 CGAARO c1ccc2[nH]c(SCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000043499372 175058668 /nfs/dbraw/zinc/05/86/68/175058668.db2.gz MAUCOGPTDHYBQQ-LLVKDONJSA-N 1 0 261.394 3.187 50 0 CGAARO Cc1cccnc1Cn1ccnc1C1CC[NH+](C(C)C)CC1 ZINC000071751982 176260094 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ZINC000036103239 260035510 /nfs/dbraw/zinc/03/55/10/260035510.db2.gz UWHOCPHFSGDGNK-INIZCTEOSA-N 1 0 273.376 3.443 50 0 CGAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102180 260035489 /nfs/dbraw/zinc/03/54/89/260035489.db2.gz BBVVAVOBSZAPSG-GOSISDBHSA-N 1 0 299.414 3.468 50 0 CGAARO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000021793112 260122341 /nfs/dbraw/zinc/12/23/41/260122341.db2.gz GLNSJWQWEQRMHR-KRWDZBQOSA-N 1 0 272.392 3.242 50 0 CGAARO CC(C)(C)c1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000003315111 275537184 /nfs/dbraw/zinc/53/71/84/275537184.db2.gz JVOJGFQTCFXCKQ-AWEZNQCLSA-N 1 0 277.408 3.132 50 0 CGAARO CSc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000244724277 278174901 /nfs/dbraw/zinc/17/49/01/278174901.db2.gz MRAREYAXZDHHDH-ZDUSSCGKSA-N 1 0 277.433 3.193 50 0 CGAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@H]2CCO[C@H]21 ZINC000251130947 278446306 /nfs/dbraw/zinc/44/63/06/278446306.db2.gz GYUUXNKKYVEWHG-KLHDSHLOSA-N 1 0 257.377 3.077 50 0 CGAARO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000269284163 278961212 /nfs/dbraw/zinc/96/12/12/278961212.db2.gz RMOWZNCKGFHQRQ-OAGGEKHMSA-N 1 0 288.435 3.074 50 0 CGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000244764160 279570252 /nfs/dbraw/zinc/57/02/52/279570252.db2.gz PCJMEFIZNDUAHS-UMVBOHGHSA-N 1 0 282.428 3.022 50 0 CGAARO Cc1c([C@@H](C)[NH3+])cnn1-c1cccc2ccccc21 ZINC000091829269 280252573 /nfs/dbraw/zinc/25/25/73/280252573.db2.gz BHFGQQDSCBQVKA-LLVKDONJSA-N 1 0 251.333 3.354 50 0 CGAARO Cc1cc(N2C[C@H](O)C[C@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000225349125 280588718 /nfs/dbraw/zinc/58/87/18/280588718.db2.gz LIXCFTQUDWMSRP-DGCLKSJQSA-N 1 0 290.794 3.465 50 0 CGAARO Cc1nc(-c2ccccc2)sc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095389223 281805262 /nfs/dbraw/zinc/80/52/62/281805262.db2.gz NGNPSMIPXXEBQL-UHFFFAOYSA-N 1 0 296.399 3.154 50 0 CGAARO C[NH+](C)C1CCN(c2cccc(F)c2C(F)(F)F)CC1 ZINC000169725647 282051739 /nfs/dbraw/zinc/05/17/39/282051739.db2.gz POZRJJBKTMDTAB-UHFFFAOYSA-N 1 0 290.304 3.375 50 0 CGAARO Fc1ccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 ZINC000035285267 294746765 /nfs/dbraw/zinc/74/67/65/294746765.db2.gz ARMWCMRIECSWLI-HOTGVXAUSA-N 1 0 257.308 3.228 50 0 CGAARO COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[NH2+]CC3 ZINC000001611775 295276655 /nfs/dbraw/zinc/27/66/55/295276655.db2.gz ILNSWVUXAPSPEH-PVAVHDDUSA-N 1 0 257.377 3.041 50 0 endogenous,world CGAARO Cc1cc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000003865333 301377990 /nfs/dbraw/zinc/37/79/90/301377990.db2.gz XKWDOTOHUYKZSX-UONOGXRCSA-N 1 0 297.826 3.263 50 0 CGAARO Cc1c[nH]c([C@H](C)[NH2+]C2CCN(c3ccc(C)cc3)CC2)n1 ZINC000534637887 328334478 /nfs/dbraw/zinc/33/44/78/328334478.db2.gz XHLXQLDTBMSNRP-HNNXBMFYSA-N 1 0 298.434 3.346 50 0 CGAARO COc1ccc2oc(C[NH2+]CCC(F)(F)F)cc2c1 ZINC000097230204 329526901 /nfs/dbraw/zinc/52/69/01/329526901.db2.gz MHVIMEFERBAFRU-UHFFFAOYSA-N 1 0 273.254 3.483 50 0 CGAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000162327438 329528658 /nfs/dbraw/zinc/52/86/58/329528658.db2.gz WMHWICNFRGYRJE-HIFRSBDPSA-N 1 0 284.407 3.150 50 0 CGAARO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000195568506 336056332 /nfs/dbraw/zinc/05/63/32/336056332.db2.gz MEKGLWAGQJWWNX-QEJZJMRPSA-N 1 0 274.412 3.003 50 0 CGAARO CO[C@@H](C[NH2+]Cc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000058217743 500827153 /nfs/dbraw/zinc/82/71/53/500827153.db2.gz RUFRTSQBZKMYFG-SFHVURJKSA-N 1 0 298.386 3.122 50 0 CGAARO CCC[N@@H+](Cc1cc(OC)c(OC)cc1OC)CC1CC1 ZINC000004987020 521681863 /nfs/dbraw/zinc/68/18/63/521681863.db2.gz MXYQDHYSUQTQCF-UHFFFAOYSA-N 1 0 293.407 3.334 50 0 CGAARO OCCC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000052685557 527541201 /nfs/dbraw/zinc/54/12/01/527541201.db2.gz SPGMUQVYNVHRCW-INIZCTEOSA-N 1 0 273.401 3.078 50 0 CGAARO CC(C)[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1F ZINC000096479334 529117437 /nfs/dbraw/zinc/11/74/37/529117437.db2.gz YJVUEVKSSSKFDM-INIZCTEOSA-N 1 0 282.378 3.346 50 0 CGAARO CCc1nc(C)c(CNCC[C@H]2CCCC[N@@H+]2C(C)C)[nH]1 ZINC000952990675 615737369 /nfs/dbraw/zinc/73/73/69/615737369.db2.gz RYMXEIUVVCERTQ-OAHLLOKOSA-N 1 0 292.471 3.023 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)C(C)(C)C(=O)OC(C)(C)C ZINC000888098232 619260170 /nfs/dbraw/zinc/26/01/70/619260170.db2.gz DKGJEJYZNCXMTN-NSHDSACASA-N 1 0 298.452 3.298 50 0 CGAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000012439208 626082441 /nfs/dbraw/zinc/08/24/41/626082441.db2.gz QXEXOBZYGVOSQZ-QGZVFWFLSA-N 1 0 285.366 3.297 50 0 CGAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000012439209 626082721 /nfs/dbraw/zinc/08/27/21/626082721.db2.gz QXEXOBZYGVOSQZ-KRWDZBQOSA-N 1 0 285.366 3.297 50 0 CGAARO CC(C)COC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000092223073 640732265 /nfs/dbraw/zinc/73/22/65/640732265.db2.gz DNRPHKFJTJGFJJ-UHFFFAOYSA-N 1 0 291.391 3.052 50 0 CGAARO CCCO[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)CC1 ZINC000093316974 640768144 /nfs/dbraw/zinc/76/81/44/640768144.db2.gz SHSNATJEKMYWNU-OAHLLOKOSA-N 1 0 291.391 3.196 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Cc1cc(C)c(OCCOCC[NH+]2CCCCC2)c(C)c1 ZINC000002896334 368483559 /nfs/dbraw/zinc/48/35/59/368483559.db2.gz KHYVGYGIVJUJTR-UHFFFAOYSA-N 1 0 291.435 3.493 50 0 CGAARO CCCC[NH2+]CCOCCOc1ccc(Cl)cc1 ZINC000002975073 368486542 /nfs/dbraw/zinc/48/65/42/368486542.db2.gz JOCMUOAHUMRCJI-UHFFFAOYSA-N 1 0 271.788 3.125 50 0 CGAARO O=C(C[NH2+]C1CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003440615 368507463 /nfs/dbraw/zinc/50/74/63/368507463.db2.gz GGJSLITUBLNHBO-UHFFFAOYSA-N 1 0 292.688 3.049 50 0 CGAARO [NH2+]=C(c1ccc(-c2cn3ccccc3n2)cc1)N1CCCC1 ZINC000004649881 368554891 /nfs/dbraw/zinc/55/48/91/368554891.db2.gz KWYPQXUMLOZKIK-UHFFFAOYSA-N 1 0 290.370 3.422 50 0 CGAARO C[C@H](C[NH+](C)C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004776108 368558239 /nfs/dbraw/zinc/55/82/39/368558239.db2.gz CVCZHQBRAFHFAW-MRVPVSSYSA-N 1 0 276.163 3.100 50 0 CGAARO CCOc1c(C[NH2+]Cc2cccs2)cccc1OC ZINC000004488535 368546908 /nfs/dbraw/zinc/54/69/08/368546908.db2.gz LBKWWIVNCIBESU-UHFFFAOYSA-N 1 0 277.389 3.445 50 0 CGAARO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000010474984 368583439 /nfs/dbraw/zinc/58/34/39/368583439.db2.gz WGMQMIMGMPOFHS-ZDUSSCGKSA-N 1 0 269.344 3.309 50 0 CGAARO C[C@H](CNC(=O)Nc1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000012223551 368606631 /nfs/dbraw/zinc/60/66/31/368606631.db2.gz XZVOPYDVTLYHBW-CYBMUJFWSA-N 1 0 293.386 3.068 50 0 CGAARO CC[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000012229983 368606833 /nfs/dbraw/zinc/60/68/33/368606833.db2.gz JUNHZILRIRSWCT-UHFFFAOYSA-N 1 0 281.812 3.092 50 0 CGAARO Cc1cccc(NC(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000012762546 368624840 /nfs/dbraw/zinc/62/48/40/368624840.db2.gz ZSRQMZWGLFRFSL-HNNXBMFYSA-N 1 0 277.412 3.093 50 0 CGAARO Cc1cccc(NC(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000012762552 368625113 /nfs/dbraw/zinc/62/51/13/368625113.db2.gz ZSRQMZWGLFRFSL-OAHLLOKOSA-N 1 0 277.412 3.093 50 0 CGAARO C[C@H](c1ccccc1)[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013510703 368655728 /nfs/dbraw/zinc/65/57/28/368655728.db2.gz ODYIWFSYHAIAAO-DJIMGWMZSA-N 1 0 275.392 3.018 50 0 CGAARO COc1ccccc1OCCC[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000016527122 368714994 /nfs/dbraw/zinc/71/49/94/368714994.db2.gz UGXGDJLLVSDCMC-GJZGRUSLSA-N 1 0 277.408 3.442 50 0 CGAARO CCC[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000016603506 368717438 /nfs/dbraw/zinc/71/74/38/368717438.db2.gz BDXUFOSHJCJFEF-UHFFFAOYSA-N 1 0 282.387 3.008 50 0 CGAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000015073809 368689025 /nfs/dbraw/zinc/68/90/25/368689025.db2.gz AYDJPSOWJROTCR-UHFFFAOYSA-N 1 0 295.810 3.158 50 0 CGAARO CC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019633767 368758949 /nfs/dbraw/zinc/75/89/49/368758949.db2.gz AMBYHGFIECWSSH-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO O[C@H]1CCC[N@H+](CC2(c3ccccc3)CCCCC2)C1 ZINC000019639177 368760320 /nfs/dbraw/zinc/76/03/20/368760320.db2.gz OSZVPMQHVXZRRA-KRWDZBQOSA-N 1 0 273.420 3.345 50 0 CGAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000019881816 368776244 /nfs/dbraw/zinc/77/62/44/368776244.db2.gz YVKIPUPGMBCHAL-QMMMGPOBSA-N 1 0 260.150 3.476 50 0 CGAARO OC[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000023114837 368815958 /nfs/dbraw/zinc/81/59/58/368815958.db2.gz UXGABAKZIQCAFX-AWEZNQCLSA-N 1 0 255.361 3.044 50 0 CGAARO COCCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280781 368819642 /nfs/dbraw/zinc/81/96/42/368819642.db2.gz SZNOCWIMVUDHPF-NSHDSACASA-N 1 0 275.314 3.263 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000023282090 368820545 /nfs/dbraw/zinc/82/05/45/368820545.db2.gz JXZKDAHRHCEMJH-MRXNPFEDSA-N 1 0 260.381 3.410 50 0 CGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC=CCC1 ZINC000024189608 368828729 /nfs/dbraw/zinc/82/87/29/368828729.db2.gz GJGDXYVMUMRGIG-INIZCTEOSA-N 1 0 298.430 3.255 50 0 CGAARO Cc1ccc(NC(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000024774587 368836122 /nfs/dbraw/zinc/83/61/22/368836122.db2.gz XNLRDWIVJBFPEN-HNNXBMFYSA-N 1 0 277.412 3.093 50 0 CGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(O)c1 ZINC000020033351 368794552 /nfs/dbraw/zinc/79/45/52/368794552.db2.gz BPHFSKBWRHOQHL-KRWDZBQOSA-N 1 0 294.354 3.117 50 0 biogenic CGAARO CC[NH+](CC)C[C@H](O)Cn1c(C)c(C)c2cc(C)ccc21 ZINC000028297044 368884555 /nfs/dbraw/zinc/88/45/55/368884555.db2.gz VCOYTBLLHDKGDQ-INIZCTEOSA-N 1 0 288.435 3.269 50 0 CGAARO O[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000031771900 368918409 /nfs/dbraw/zinc/91/84/09/368918409.db2.gz GUMQNJUIAGFXKA-SFHVURJKSA-N 1 0 267.372 3.170 50 0 CGAARO CSC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000032523717 368933859 /nfs/dbraw/zinc/93/38/59/368933859.db2.gz CZDBRLYWNRXTNG-UKRRQHHQSA-N 1 0 277.433 3.333 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C)c(C)c1 ZINC000032581844 368936667 /nfs/dbraw/zinc/93/66/67/368936667.db2.gz OCBSYVLVUYVYTD-LSDHHAIUSA-N 1 0 279.424 3.067 50 0 CGAARO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100356 369009511 /nfs/dbraw/zinc/00/95/11/369009511.db2.gz WPRFNUZPSUVFRY-MRXNPFEDSA-N 1 0 279.424 3.314 50 0 CGAARO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)o1 ZINC000036097525 369009549 /nfs/dbraw/zinc/00/95/49/369009549.db2.gz HFFDBLOSBPQUQP-MRXNPFEDSA-N 1 0 297.439 3.080 50 0 CGAARO COc1ccc(-c2nc(C)sc2C[NH3+])cc1Cl ZINC000036174445 369012824 /nfs/dbraw/zinc/01/28/24/369012824.db2.gz WJOKBXYJKHKETM-UHFFFAOYSA-N 1 0 268.769 3.239 50 0 CGAARO Brc1cncc(C[NH2+]C2CCCCC2)c1 ZINC000037927391 369126497 /nfs/dbraw/zinc/12/64/97/369126497.db2.gz UHZXIAHPWZVMKC-UHFFFAOYSA-N 1 0 269.186 3.266 50 0 CGAARO c1cc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)co1 ZINC000039393354 369150145 /nfs/dbraw/zinc/15/01/45/369150145.db2.gz AEXARQCLUBEQFW-GOSISDBHSA-N 1 0 296.414 3.001 50 0 CGAARO CCCOc1cccc(C[NH2+][C@@H](C)CN2CCCCC2)c1 ZINC000037996957 369135635 /nfs/dbraw/zinc/13/56/35/369135635.db2.gz TXQGZRUFPMDURG-INIZCTEOSA-N 1 0 290.451 3.439 50 0 CGAARO COc1ccccc1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000038219500 369144802 /nfs/dbraw/zinc/14/48/02/369144802.db2.gz OKADRUQFGKMRQU-HNNXBMFYSA-N 1 0 289.419 3.301 50 0 CGAARO COc1ccc(Br)cc1C[N@H+](C)C(C)C ZINC000042211299 369204213 /nfs/dbraw/zinc/20/42/13/369204213.db2.gz RJCRGIZWYVHVJI-UHFFFAOYSA-N 1 0 272.186 3.298 50 0 CGAARO Fc1cc(F)cc(COCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042774016 369232512 /nfs/dbraw/zinc/23/25/12/369232512.db2.gz MPPIKAWVPADAMP-AWEZNQCLSA-N 1 0 255.308 3.014 50 0 CGAARO C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000042669830 369228551 /nfs/dbraw/zinc/22/85/51/369228551.db2.gz AQXUXBCAFZKAEI-CQSZACIVSA-N 1 0 265.740 3.098 50 0 CGAARO Cc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770854 369231428 /nfs/dbraw/zinc/23/14/28/369231428.db2.gz WPHYTKCSFCPBAF-LBPRGKRZSA-N 1 0 253.773 3.417 50 0 CGAARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000046956062 369301227 /nfs/dbraw/zinc/30/12/27/369301227.db2.gz XKAVGBOXPUQVSQ-AWEZNQCLSA-N 1 0 289.423 3.273 50 0 CGAARO CCCC[N@@H+]1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000048214334 369337638 /nfs/dbraw/zinc/33/76/38/369337638.db2.gz AHPNKXOAXGGJDG-OAHLLOKOSA-N 1 0 290.455 3.448 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000048482605 369355612 /nfs/dbraw/zinc/35/56/12/369355612.db2.gz SLQFVDJIELOVDC-BETUJISGSA-N 1 0 294.826 3.048 50 0 CGAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000052537575 369469008 /nfs/dbraw/zinc/46/90/08/369469008.db2.gz SOTDSMXHUFBIKH-UHFFFAOYSA-N 1 0 274.751 3.068 50 0 CGAARO c1coc(C[N@H+](Cc2ccsc2)C[C@@H]2CCOC2)c1 ZINC000055393130 369516589 /nfs/dbraw/zinc/51/65/89/369516589.db2.gz LLNZOHQOHVPPBS-ZDUSSCGKSA-N 1 0 277.389 3.380 50 0 CGAARO CC[N@@H+]1CC[C@@H](C(=O)N(Cc2cccc(C)c2)C(C)C)C1 ZINC000055568959 369520722 /nfs/dbraw/zinc/52/07/22/369520722.db2.gz YXCCMSYRWMDDLS-QGZVFWFLSA-N 1 0 288.435 3.074 50 0 CGAARO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(-n2ccnc2)cc1 ZINC000058280738 369561691 /nfs/dbraw/zinc/56/16/91/369561691.db2.gz PAZPKJIKIKVPPM-CQSZACIVSA-N 1 0 293.370 3.429 50 0 CGAARO COc1c(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)c(C)nn1C ZINC000058381186 369565884 /nfs/dbraw/zinc/56/58/84/369565884.db2.gz WPBCZVFLAJYINC-KRWDZBQOSA-N 1 0 299.418 3.286 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065454849 369677238 /nfs/dbraw/zinc/67/72/38/369677238.db2.gz MLSVASDFWBFBKQ-GFCCVEGCSA-N 1 0 289.379 3.030 50 0 CGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000065494142 369678785 /nfs/dbraw/zinc/67/87/85/369678785.db2.gz NJEIJSPWPDQUIC-CQSZACIVSA-N 1 0 261.394 3.008 50 0 CGAARO CC(C)=C[C@H]1[C@H](C(=O)NCC2([NH+](C)C)CCCC2)C1(C)C ZINC000065522792 369681309 /nfs/dbraw/zinc/68/13/09/369681309.db2.gz MAKIAOUYPWNPJN-LSDHHAIUSA-N 1 0 292.467 3.215 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000065541453 369682470 /nfs/dbraw/zinc/68/24/70/369682470.db2.gz XCXIINJWKAQNRU-OAHLLOKOSA-N 1 0 256.349 3.281 50 0 CGAARO C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068593363 369745024 /nfs/dbraw/zinc/74/50/24/369745024.db2.gz CDEKEQYZEKYEAI-AAEUAGOBSA-N 1 0 272.314 3.047 50 0 CGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069538008 369763144 /nfs/dbraw/zinc/76/31/44/369763144.db2.gz HHRJNJHCVMAYGK-OLZOCXBDSA-N 1 0 284.363 3.072 50 0 CGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000069586645 369764838 /nfs/dbraw/zinc/76/48/38/369764838.db2.gz FJMOVLNXNKADLS-ZDUSSCGKSA-N 1 0 294.826 3.221 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2cccnc2)cc1C ZINC000069738047 369769671 /nfs/dbraw/zinc/76/96/71/369769671.db2.gz QJDNNZCIMIPILX-UHFFFAOYSA-N 1 0 256.349 3.031 50 0 CGAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067694515 369725725 /nfs/dbraw/zinc/72/57/25/369725725.db2.gz FQPNLLFYDDGFRY-OAHLLOKOSA-N 1 0 292.386 3.460 50 0 CGAARO c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000067843399 369732581 /nfs/dbraw/zinc/73/25/81/369732581.db2.gz RGGLDJMARVAQGW-INIZCTEOSA-N 1 0 281.403 3.283 50 0 CGAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[NH2+]C1 ZINC000067878058 369733987 /nfs/dbraw/zinc/73/39/87/369733987.db2.gz LXHCQOSHQAVNBK-CQSZACIVSA-N 1 0 265.356 3.121 50 0 CGAARO Fc1ccccc1-c1noc2c1C[N@H+](CC1CC1)CC2 ZINC000067884264 369735259 /nfs/dbraw/zinc/73/52/59/369735259.db2.gz LOJNOXPESYFLFP-UHFFFAOYSA-N 1 0 272.323 3.249 50 0 CGAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072424658 369818862 /nfs/dbraw/zinc/81/88/62/369818862.db2.gz HGLOVSQRGXBIBV-CQSZACIVSA-N 1 0 261.409 3.374 50 0 CGAARO C[C@H]([NH2+]Cc1nnc(-c2ccccc2F)o1)C(C)(C)C ZINC000072632970 369830577 /nfs/dbraw/zinc/83/05/77/369830577.db2.gz BFMMAFIKRDBMJZ-JTQLQIEISA-N 1 0 277.343 3.400 50 0 CGAARO COCCCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000078948011 369956961 /nfs/dbraw/zinc/95/69/61/369956961.db2.gz GCOGCFAGBBKAFP-KBPBESRZSA-N 1 0 251.370 3.479 50 0 CGAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000078998870 369958217 /nfs/dbraw/zinc/95/82/17/369958217.db2.gz AHSGFDSWGWNSKH-CYBMUJFWSA-N 1 0 261.365 3.001 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000079090867 369963629 /nfs/dbraw/zinc/96/36/29/369963629.db2.gz YTEJQNLNDCYYMP-HNNXBMFYSA-N 1 0 286.375 3.335 50 0 CGAARO c1ccc([C@H](C[NH+]2CCCCC2)NCc2ccncc2)cc1 ZINC000075943912 369921906 /nfs/dbraw/zinc/92/19/06/369921906.db2.gz CQWROOYBRUOBIU-IBGZPJMESA-N 1 0 295.430 3.398 50 0 CGAARO CC(C)(C)C(=O)NCc1nccn1CCCc1ccccc1 ZINC000081933287 369998653 /nfs/dbraw/zinc/99/86/53/369998653.db2.gz GYKQPXUWHJXZIT-UHFFFAOYSA-N 1 0 299.418 3.178 50 0 CGAARO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000084733422 370014633 /nfs/dbraw/zinc/01/46/33/370014633.db2.gz KWGGNBRHXYXOSS-JKSUJKDBSA-N 1 0 299.418 3.027 50 0 CGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000090393090 370060818 /nfs/dbraw/zinc/06/08/18/370060818.db2.gz DNXKNOODCZUJDD-IUODEOHRSA-N 1 0 258.365 3.404 50 0 CGAARO C[C@H](C[N@H+](C)Cc1ccc(CO)o1)c1ccccc1 ZINC000093008974 370105423 /nfs/dbraw/zinc/10/54/23/370105423.db2.gz XLIUZENKDPCIRR-CYBMUJFWSA-N 1 0 259.349 3.007 50 0 CGAARO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CN1Cc1ccccc1 ZINC000095411866 370185656 /nfs/dbraw/zinc/18/56/56/370185656.db2.gz AOHHSMFAGBANNO-XLIONFOSSA-N 1 0 294.442 3.482 50 0 CGAARO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000095376588 370180269 /nfs/dbraw/zinc/18/02/69/370180269.db2.gz BLTRZMQZVGYLGZ-QWRGUYRKSA-N 1 0 257.328 3.289 50 0 CGAARO c1ncc(C[N@H+]2CCC[C@@H](COc3ccccc3)C2)s1 ZINC000093364663 370120072 /nfs/dbraw/zinc/12/00/72/370120072.db2.gz QPSABQLUWOXZEE-CQSZACIVSA-N 1 0 288.416 3.434 50 0 CGAARO CO[C@H](C)c1nc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cs1 ZINC000095406259 370184386 /nfs/dbraw/zinc/18/43/86/370184386.db2.gz DNAYWIZAHIRSBF-UPJWGTAASA-N 1 0 278.421 3.249 50 0 CGAARO C[C@H]1C[C@@H](N(C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644948 370153185 /nfs/dbraw/zinc/15/31/85/370153185.db2.gz NDYDITFXUMLQSD-JQWIXIFHSA-N 1 0 286.341 3.018 50 0 CGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC000097098536 370225082 /nfs/dbraw/zinc/22/50/82/370225082.db2.gz FJIWBWQJRIOODX-RYUDHWBXSA-N 1 0 269.339 3.360 50 0 CGAARO CO[C@@H](C[NH2+]CC1(C)CCOCC1)c1ccccc1Cl ZINC000097113564 370228193 /nfs/dbraw/zinc/22/81/93/370228193.db2.gz YKXWFTVUPVNUDZ-HNNXBMFYSA-N 1 0 297.826 3.434 50 0 CGAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203247 370232807 /nfs/dbraw/zinc/23/28/07/370232807.db2.gz HPHIBCYGRSESCC-ZDUSSCGKSA-N 1 0 287.382 3.500 50 0 CGAARO C[C@H](Cc1cnccn1)[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000097244099 370236747 /nfs/dbraw/zinc/23/67/47/370236747.db2.gz TYGFHYBCNGRVBN-RDFMZFSFSA-N 1 0 285.366 3.192 50 0 CGAARO C[NH+](C)Cc1ccc(-c2ccc3c(c2)OC(F)(F)O3)nc1 ZINC000097759424 370254323 /nfs/dbraw/zinc/25/43/23/370254323.db2.gz JIVJAZXFPNHZQI-UHFFFAOYSA-N 1 0 292.285 3.132 50 0 CGAARO CSc1cccc(C[NH+]2CC(c3cccnc3)C2)c1 ZINC000097527875 370245510 /nfs/dbraw/zinc/24/55/10/370245510.db2.gz MVTONOONGXTSHD-UHFFFAOYSA-N 1 0 270.401 3.403 50 0 CGAARO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2cnccn2)o1 ZINC000097638055 370250159 /nfs/dbraw/zinc/25/01/59/370250159.db2.gz AOWFFLHNAWRYOO-LBPRGKRZSA-N 1 0 259.353 3.004 50 0 CGAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1cnn(C)c1)CCCO2 ZINC000095421676 370188891 /nfs/dbraw/zinc/18/88/91/370188891.db2.gz FXOFHBQHGONJFT-KRWDZBQOSA-N 1 0 299.418 3.165 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccs2)C1 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/nfs/dbraw/zinc/05/64/23/170056423.db2.gz OWBZUMFNTRZPAU-SNVBAGLBSA-N 1 0 260.164 3.262 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000005051595 170061163 /nfs/dbraw/zinc/06/11/63/170061163.db2.gz HVITVSLACDLDPT-HLLBOEOZSA-N 1 0 291.435 3.021 50 0 CGAARO CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000005908904 170153740 /nfs/dbraw/zinc/15/37/40/170153740.db2.gz YPZWNJUKRILYCT-YJBOKZPZSA-N 1 0 299.414 3.340 50 0 CGAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2)c1 ZINC000009156370 170365069 /nfs/dbraw/zinc/36/50/69/170365069.db2.gz GRSKKSLBFJIIMQ-ZDUSSCGKSA-N 1 0 268.360 3.496 50 0 CGAARO FC(F)(F)c1ccccc1OCC1CC[NH2+]CC1 ZINC000019479168 170809218 /nfs/dbraw/zinc/80/92/18/170809218.db2.gz QVAHSKGQTQYTLR-UHFFFAOYSA-N 1 0 259.271 3.084 50 0 CGAARO Cc1cc(C)c(OCCCC[NH+]2CCOCC2)c(C)c1 ZINC000019720323 170842555 /nfs/dbraw/zinc/84/25/55/170842555.db2.gz CSMPGQFRFJEGSV-UHFFFAOYSA-N 1 0 277.408 3.103 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1OC ZINC000019944897 170935838 /nfs/dbraw/zinc/93/58/38/170935838.db2.gz HKYFXKXOMGYHRZ-TZMCWYRMSA-N 1 0 263.381 3.372 50 0 CGAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccn1 ZINC000020122493 171002770 /nfs/dbraw/zinc/00/27/70/171002770.db2.gz IYVWFWQKSULPSR-ZDUSSCGKSA-N 1 0 265.360 3.456 50 0 CGAARO OCC[C@H]1CCCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000020450642 171207396 /nfs/dbraw/zinc/20/73/96/171207396.db2.gz JGSWXUNNSZXZBX-CQSZACIVSA-N 1 0 285.790 3.259 50 0 CGAARO CCCOc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000020925070 171280136 /nfs/dbraw/zinc/28/01/36/171280136.db2.gz APQXMDHTGCIUBG-UHFFFAOYSA-N 1 0 256.349 3.160 50 0 CGAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000021720930 171320681 /nfs/dbraw/zinc/32/06/81/171320681.db2.gz RNXHOGPJQBCYJR-CQSZACIVSA-N 1 0 271.364 3.278 50 0 CGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000021720444 171320881 /nfs/dbraw/zinc/32/08/81/171320881.db2.gz RIHNWRQUDNLHHQ-AWEZNQCLSA-N 1 0 257.337 3.024 50 0 CGAARO CCOc1cccc2sc(NCCC[NH+](C)C)nc21 ZINC000026424011 171483839 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/nfs/dbraw/zinc/15/34/46/176153446.db2.gz SHRGGRWNAKXOLO-INIZCTEOSA-N 1 0 286.350 3.269 50 0 CGAARO Cc1ccccc1N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000072149246 176326314 /nfs/dbraw/zinc/32/63/14/176326314.db2.gz KURMHMMKVUGKMZ-UHFFFAOYSA-N 1 0 281.403 3.102 50 0 CGAARO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072158782 176329308 /nfs/dbraw/zinc/32/93/08/176329308.db2.gz KCENJVZCYPERTL-ZWKOTPCHSA-N 1 0 272.436 3.383 50 0 CGAARO c1ccc(Nc2cc(CC[C@H]3CCC[NH2+]C3)ccn2)nc1 ZINC000072343490 176371981 /nfs/dbraw/zinc/37/19/81/176371981.db2.gz XUTIGCAHECFJBE-OAHLLOKOSA-N 1 0 282.391 3.152 50 0 CGAARO CC(C)Oc1ccc(C[NH2+]Cc2cccnc2)cc1F ZINC000078602382 177358972 /nfs/dbraw/zinc/35/89/72/177358972.db2.gz FDWCMEBVAFUMIE-UHFFFAOYSA-N 1 0 274.339 3.298 50 0 CGAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000049886829 416475695 /nfs/dbraw/zinc/47/56/95/416475695.db2.gz UQNUKBWETKAFLC-KRWDZBQOSA-N 1 0 289.325 3.057 50 0 CGAARO Cc1c(C[NH2+]Cc2ccoc2)sc2nc(C)nc(C)c12 ZINC000048234797 416446290 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/nfs/dbraw/zinc/53/60/09/275536009.db2.gz RZVLVYYINZOWAJ-CVEARBPZSA-N 1 0 261.409 3.377 50 0 CGAARO CC[NH+]1CCC(N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000004022938 276149702 /nfs/dbraw/zinc/14/97/02/276149702.db2.gz MCSMIHDZYAGZDX-ZBFHGGJFSA-N 1 0 250.430 3.125 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1 ZINC000020827149 277898998 /nfs/dbraw/zinc/89/89/98/277898998.db2.gz XXSRAAQXQFUSOJ-CYBMUJFWSA-N 1 0 295.386 3.433 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@H](C)C1 ZINC000004094085 278509061 /nfs/dbraw/zinc/50/90/61/278509061.db2.gz FTLAMGAOAHIHBM-BQJWPVKWSA-N 1 0 279.424 3.062 50 0 CGAARO O=C(c1ccccc1)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589819 304561770 /nfs/dbraw/zinc/56/17/70/304561770.db2.gz MYUHGBSBVHUTSZ-KRWDZBQOSA-N 1 0 286.419 3.071 50 0 CGAARO O[C@]12CCCC[C@H]1[C@@H](c1ccccc1Cl)[NH2+]CC2 ZINC000004951404 304843873 /nfs/dbraw/zinc/84/38/73/304843873.db2.gz XONMKCZCHUOWRT-CFVMTHIKSA-N 1 0 265.784 3.296 50 0 CGAARO Clc1cccc(C2([NH2+][C@@H]3CCCOC3)CC2)c1 ZINC000534584085 328310319 /nfs/dbraw/zinc/31/03/19/328310319.db2.gz SJLIRPGMYXRVLR-CYBMUJFWSA-N 1 0 251.757 3.098 50 0 CGAARO CC(C)(C)c1ccc2oc(C[NH2+][C@@H]3CCCOC3)nc2c1 ZINC000534662674 328350356 /nfs/dbraw/zinc/35/03/56/328350356.db2.gz DCPUWBDGWBFVBF-CYBMUJFWSA-N 1 0 288.391 3.394 50 0 CGAARO Clc1cccc(N2CC[C@H]([NH2+]Cc3ccncc3)C2)c1 ZINC000096456841 534644277 /nfs/dbraw/zinc/64/42/77/534644277.db2.gz QKVDQZGUYXSKID-HNNXBMFYSA-N 1 0 287.794 3.104 50 0 CGAARO Cc1cc(C)cc(OCCOCC[NH+]2CCC(C)CC2)c1 ZINC000002957631 524450982 /nfs/dbraw/zinc/45/09/82/524450982.db2.gz SYXWDDLPGDHFCP-UHFFFAOYSA-N 1 0 291.435 3.431 50 0 CGAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000012302422 525902138 /nfs/dbraw/zinc/90/21/38/525902138.db2.gz UJATVKKRWIQFRV-MRXNPFEDSA-N 1 0 299.418 3.263 50 0 CGAARO CC(C)[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000408519124 528974926 /nfs/dbraw/zinc/97/49/26/528974926.db2.gz AFPJFODFZUXUKY-PVAVHDDUSA-N 1 0 288.435 3.155 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000096494378 529219679 /nfs/dbraw/zinc/21/96/79/529219679.db2.gz KVIPQMHHANAITE-ZIAGYGMSSA-N 1 0 281.469 3.284 50 0 CGAARO CCCC[n+]1cc(-c2ccccc2)nc(N2CCCCC2)n1 ZINC000001791608 535077157 /nfs/dbraw/zinc/07/71/57/535077157.db2.gz VSVKQWDXHFYGHQ-UHFFFAOYSA-N 1 0 297.426 3.222 50 0 CGAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000023281649 572334979 /nfs/dbraw/zinc/33/49/79/572334979.db2.gz IFUQLMLIVKOYSA-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH3+])c2ccccc21 ZINC000950756039 613999015 /nfs/dbraw/zinc/99/90/15/613999015.db2.gz DUXYXFLJKUCGQT-OLZOCXBDSA-N 1 0 262.353 3.046 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000952991981 614334497 /nfs/dbraw/zinc/33/44/97/614334497.db2.gz HALWQMOVEJOANY-LLVKDONJSA-N 1 0 282.334 3.024 50 0 CGAARO CC(C)(C)c1ccc(OCCCCC[NH2+]CCO)cc1 ZINC000002902937 618655347 /nfs/dbraw/zinc/65/53/47/618655347.db2.gz HJBXDUPCGDIBOY-UHFFFAOYSA-N 1 0 279.424 3.115 50 0 CGAARO CC(C)(C)c1cc(C[NH2+]CCO)cc(C(C)(C)C)c1O ZINC000002990484 618674098 /nfs/dbraw/zinc/67/40/98/618674098.db2.gz SVERUTBRTXWUPT-UHFFFAOYSA-N 1 0 279.424 3.069 50 0 CGAARO O=C1CC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098114 619260074 /nfs/dbraw/zinc/26/00/74/619260074.db2.gz ADFUNGLXNRMLDT-IRXDYDNUSA-N 1 0 286.419 3.176 50 0 CGAARO CCCC[NH2+]CCCCOc1ccccc1OC ZINC000002902642 626076876 /nfs/dbraw/zinc/07/68/76/626076876.db2.gz FQRUFHQFMDZSCH-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO CC1(C)C[C@@]1(C[NH2+]Cc1cccnc1N)c1ccccc1 ZINC000952967034 636776356 /nfs/dbraw/zinc/77/63/56/636776356.db2.gz YPSLSGKBOZYEAJ-GOSISDBHSA-N 1 0 281.403 3.121 50 0 CGAARO CCOc1ccc([C@@H](CC)[NH2+]Cc2cnc(C)nc2)cc1 ZINC000952978336 636776745 /nfs/dbraw/zinc/77/67/45/636776745.db2.gz YOIMCNHKIFDTFH-QGZVFWFLSA-N 1 0 285.391 3.425 50 0 CGAARO C[C@H](c1ccc(-c2cnc(N)cn2)cc1)[NH+]1CCCCC1 ZINC000032558415 798849689 /nfs/dbraw/zinc/84/96/89/798849689.db2.gz QHLBDUJSOYWLAY-CYBMUJFWSA-N 1 0 282.391 3.273 50 0 CGAARO c1cn(-c2ccccc2C[NH2+]C2CCCCC2)cn1 ZINC000123703998 798995048 /nfs/dbraw/zinc/99/50/48/798995048.db2.gz YDFINFZILAZLKW-UHFFFAOYSA-N 1 0 255.365 3.295 50 0 CGAARO COC(C)(CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1)OC ZINC000710899349 800042257 /nfs/dbraw/zinc/04/22/57/800042257.db2.gz OHOFPKHLZFFEEB-LBPRGKRZSA-N 1 0 285.815 3.260 50 0 CGAARO CC[C@@H](Cc1ccco1)[NH2+]CCCNc1ccc(C)cn1 ZINC000822620666 800462594 /nfs/dbraw/zinc/46/25/94/800462594.db2.gz DOXXRBOBLDYQPF-HNNXBMFYSA-N 1 0 287.407 3.396 50 0 CGAARO CC[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000822655559 800463851 /nfs/dbraw/zinc/46/38/51/800463851.db2.gz ZLYOVKVYCIEFNQ-INIZCTEOSA-N 1 0 292.398 3.269 50 0 CGAARO CCN1C[C@H](CNc2cc[nH+]c3c(C)c(C)ccc23)CC1=O ZINC000823102368 800465351 /nfs/dbraw/zinc/46/53/51/800465351.db2.gz GJQHCRPWBHUMIW-AWEZNQCLSA-N 1 0 297.402 3.132 50 0 CGAARO CSC(C)(C)C[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000824870965 800472664 /nfs/dbraw/zinc/47/26/64/800472664.db2.gz BQXLZQWPFSXNQS-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/98/99/02/937989902.db2.gz KZBLMLBEMKDVDA-QGZVFWFLSA-N 1 0 298.434 3.471 50 0 CGAARO CNc1nc(N(C)Cc2cc3cc(F)ccc3[nH]2)cc(C)[nH+]1 ZINC001529171800 938071331 /nfs/dbraw/zinc/07/13/31/938071331.db2.gz CCZBNBIMGXOBJT-UHFFFAOYSA-N 1 0 299.353 3.084 50 0 CGAARO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000096477429 230379818 /nfs/dbraw/zinc/37/98/18/230379818.db2.gz PFCSFYMZSBBJNQ-ZDUSSCGKSA-N 1 0 287.432 3.396 50 0 CGAARO CC[NH+]1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000082137190 177923189 /nfs/dbraw/zinc/92/31/89/177923189.db2.gz XOJAEWBRUQHNDK-UHFFFAOYSA-N 1 0 255.365 3.276 50 0 CGAARO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000097971395 230388578 /nfs/dbraw/zinc/38/85/78/230388578.db2.gz DPVJCQDVCXQFIX-GOSISDBHSA-N 1 0 294.398 3.112 50 0 CGAARO C[C@H](C(=O)N1CCCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000130110060 230394801 /nfs/dbraw/zinc/39/48/01/230394801.db2.gz MWUHAGJCIKJPKH-GOEBONIOSA-N 1 0 274.408 3.115 50 0 CGAARO COC[C@@H]([NH2+][C@H](C)Cc1ccsc1)c1ccco1 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CC[N@@H+]1CC[C@@H]([C@](CC)(OC(C)=O)c2ccccc2)C1 ZINC000071772234 345404450 /nfs/dbraw/zinc/40/44/50/345404450.db2.gz WRNWVPCVFAXKQV-IAGOWNOFSA-N 1 0 275.392 3.197 50 0 CGAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccncc1 ZINC000072274478 345408084 /nfs/dbraw/zinc/40/80/84/345408084.db2.gz MNBOCJLWLWSQRH-OAHLLOKOSA-N 1 0 284.407 3.200 50 0 CGAARO CCOc1ccc(C[NH2+]C(CC)(CC)CC(=O)OC)cc1 ZINC000075103634 345495488 /nfs/dbraw/zinc/49/54/88/345495488.db2.gz HXQKYUORXSRJCW-UHFFFAOYSA-N 1 0 293.407 3.297 50 0 CGAARO O[C@H](C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1)c1ccccc1 ZINC000078947950 345625678 /nfs/dbraw/zinc/62/56/78/345625678.db2.gz XFBWOKUIKLDXNF-FGTMMUONSA-N 1 0 289.419 3.144 50 0 CGAARO CCCCn1ncc(NC2CC[NH+](C(C)C)CC2)c1C ZINC000097238340 345908089 /nfs/dbraw/zinc/90/80/89/345908089.db2.gz FYRZLHWWIRBJBT-UHFFFAOYSA-N 1 0 278.444 3.276 50 0 CGAARO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@H]4CCOC4)C3)nc2c1 ZINC000110705848 345946076 /nfs/dbraw/zinc/94/60/76/345946076.db2.gz GDFYCQMYZHBYKK-HUUCEWRRSA-N 1 0 299.418 3.087 50 0 CGAARO COc1ncccc1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000170591992 346193950 /nfs/dbraw/zinc/19/39/50/346193950.db2.gz QOQVHAKZOIODLQ-HOCLYGCPSA-N 1 0 297.402 3.338 50 0 CGAARO COc1ccccc1[C@H](C)Nc1cc(N(C)C)cc[nH+]1 ZINC000170594442 346194369 /nfs/dbraw/zinc/19/43/69/346194369.db2.gz DPYRVPDZLJZJBY-LBPRGKRZSA-N 1 0 271.364 3.329 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000170624977 346195695 /nfs/dbraw/zinc/19/56/95/346195695.db2.gz VRLICOZVESFNON-PMPSAXMXSA-N 1 0 292.467 3.215 50 0 CGAARO COc1cc(C[N@H+](C)[C@H]2CCCc3cccnc32)ccc1O ZINC000225670636 346304870 /nfs/dbraw/zinc/30/48/70/346304870.db2.gz VWVKMUAHXFXXCY-HNNXBMFYSA-N 1 0 298.386 3.305 50 0 CGAARO CCCC[NH2+]Cc1cccc(Br)c1F ZINC000085476846 179079887 /nfs/dbraw/zinc/07/98/87/179079887.db2.gz YLMDQNXJXCJJES-UHFFFAOYSA-N 1 0 260.150 3.478 50 0 CGAARO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]21 ZINC000085670542 179111071 /nfs/dbraw/zinc/11/10/71/179111071.db2.gz 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368418000 /nfs/dbraw/zinc/41/80/00/368418000.db2.gz STBPTJBXUNWORN-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO c1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000001229356 368404486 /nfs/dbraw/zinc/40/44/86/368404486.db2.gz HPMXEBPOHLVJNH-UHFFFAOYSA-N 1 0 294.442 3.483 50 0 CGAARO [NH3+]CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002005763 368443753 /nfs/dbraw/zinc/44/37/53/368443753.db2.gz BBEDRGWUDRUNQC-UHFFFAOYSA-N 1 0 263.287 3.030 50 0 in-man CGAARO CC(=O)N(CCC[NH+](C)C)Cc1ccc(C(C)C)cc1 ZINC000002347770 368451422 /nfs/dbraw/zinc/45/14/22/368451422.db2.gz HHQTVSLJLOSCMA-UHFFFAOYSA-N 1 0 276.424 3.110 50 0 CGAARO COc1ccc(C[NH2+]CCc2cccc(OC)c2)cc1 ZINC000002738998 368474289 /nfs/dbraw/zinc/47/42/89/368474289.db2.gz RBGHYJQPAIBUCP-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000002573320 368466084 /nfs/dbraw/zinc/46/60/84/368466084.db2.gz AGLYDIBEDXKLLC-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(C)cc1Cl ZINC000002825070 368480242 /nfs/dbraw/zinc/48/02/42/368480242.db2.gz GDAGSMSSCCREMI-CYBMUJFWSA-N 1 0 285.815 3.432 50 0 CGAARO CC(C)(c1ccccc1)c1ccc(OCC[NH3+])cc1 ZINC000002876094 368482385 /nfs/dbraw/zinc/48/23/85/368482385.db2.gz CYWQJOZJOFXNFK-UHFFFAOYSA-N 1 0 255.361 3.350 50 0 CGAARO CC(C)(C)[NH2+]CCOCCOc1ccccc1Cl ZINC000002981022 368486833 /nfs/dbraw/zinc/48/68/33/368486833.db2.gz FFSRRPZPXCADJW-UHFFFAOYSA-N 1 0 271.788 3.124 50 0 CGAARO Cc1cccc(C(C)(C)C)c1OCCCC[NH2+]CCO ZINC000003000645 368488288 /nfs/dbraw/zinc/48/82/88/368488288.db2.gz QGPCOUXYBHKODE-UHFFFAOYSA-N 1 0 279.424 3.033 50 0 CGAARO O=C(CNC1=[NH+]CCC1)c1ccc(-c2ccccc2)cc1 ZINC000003194550 368496608 /nfs/dbraw/zinc/49/66/08/368496608.db2.gz OOQOWYSBAUDOMH-UHFFFAOYSA-N 1 0 278.355 3.318 50 0 CGAARO C[n+]1ccccc1/C=C/c1ccc(Br)cc1 ZINC000003898932 368522959 /nfs/dbraw/zinc/52/29/59/368522959.db2.gz ARURXMZAKPQPSV-JXMROGBWSA-N 1 0 275.169 3.444 50 0 CGAARO C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005052214 368561668 /nfs/dbraw/zinc/56/16/68/368561668.db2.gz ZAKPZGUPZCQKEP-UHFFFAOYSA-N 1 0 281.399 3.264 50 0 CGAARO NNc1[nH+]c(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000005548766 368563115 /nfs/dbraw/zinc/56/31/15/368563115.db2.gz AKPFAEYRQVYVAK-UHFFFAOYSA-N 1 0 270.723 3.236 50 0 CGAARO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332534 368580006 /nfs/dbraw/zinc/58/00/06/368580006.db2.gz BYTQIQWFLRVASL-CQSZACIVSA-N 1 0 274.408 3.201 50 0 CGAARO COc1ccc([C@@H]([NH3+])Cc2ccccc2C)cc1OC ZINC000011602228 368593341 /nfs/dbraw/zinc/59/33/41/368593341.db2.gz BBBWZQLIGIACCP-HNNXBMFYSA-N 1 0 271.360 3.255 50 0 CGAARO CC1(C)CC(NC(=O)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000006257544 368566501 /nfs/dbraw/zinc/56/65/01/368566501.db2.gz NKRLUXLJLIZEAO-UHFFFAOYSA-N 1 0 275.396 3.117 50 0 CGAARO C[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000006556181 368566869 /nfs/dbraw/zinc/56/68/69/368566869.db2.gz GDTCYKNWOQXPNI-QZWWFDLISA-N 1 0 297.483 3.311 50 0 CGAARO Cc1ccccc1CN1CC[N@H+](CC(C)(C)C)CCC1=O ZINC000012037409 368603609 /nfs/dbraw/zinc/60/36/09/368603609.db2.gz TWVVCVYPIJUYTL-UHFFFAOYSA-N 1 0 288.435 3.075 50 0 CGAARO C[C@@H](CNC(=O)Nc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000012223555 368606436 /nfs/dbraw/zinc/60/64/36/368606436.db2.gz UFVVLPWBHWQBDM-ZDUSSCGKSA-N 1 0 293.386 3.068 50 0 CGAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218914192 376193217 /nfs/dbraw/zinc/19/32/17/376193217.db2.gz FUWOUJXJVFLXGZ-UXLLHSPISA-N 1 0 286.419 3.176 50 0 CGAARO Cc1ccccc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013668460 368661213 /nfs/dbraw/zinc/66/12/13/368661213.db2.gz HBRPFFMUPLRFDX-GJZGRUSLSA-N 1 0 288.435 3.093 50 0 CGAARO CCCCc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000016604806 368717185 /nfs/dbraw/zinc/71/71/85/368717185.db2.gz TZULXWMMYPUQBM-UHFFFAOYSA-N 1 0 288.435 3.243 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2)cc1 ZINC000016663290 368720093 /nfs/dbraw/zinc/72/00/93/368720093.db2.gz UMWAIMIXDOXPSI-CQSZACIVSA-N 1 0 285.387 3.425 50 0 CGAARO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000013964488 368671168 /nfs/dbraw/zinc/67/11/68/368671168.db2.gz GAYMHSNBBCWUMK-OAHLLOKOSA-N 1 0 289.423 3.237 50 0 CGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1 ZINC000014159473 368675661 /nfs/dbraw/zinc/67/56/61/368675661.db2.gz VNTHPPUYJWLXER-HNNXBMFYSA-N 1 0 299.374 3.238 50 0 CGAARO CCOCCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000019738130 368762889 /nfs/dbraw/zinc/76/28/89/368762889.db2.gz RJDSMRCIPAAOAV-UHFFFAOYSA-N 1 0 263.381 3.134 50 0 CGAARO CCn1c2ccccc2c2cc(CN3CC[NH2+]CC3)ccc21 ZINC000019781915 368765885 /nfs/dbraw/zinc/76/58/85/368765885.db2.gz FTPUWWDCTLDCJQ-UHFFFAOYSA-N 1 0 293.414 3.220 50 0 CGAARO Fc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019842476 368771159 /nfs/dbraw/zinc/77/11/59/368771159.db2.gz PMGAFJUNPMEQOI-MRXNPFEDSA-N 1 0 288.410 3.300 50 0 CGAARO O[C@H](C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000019871913 368773635 /nfs/dbraw/zinc/77/36/35/368773635.db2.gz ZXPXMXDBXPXCFH-OAHLLOKOSA-N 1 0 261.752 3.163 50 0 CGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000019229277 368746007 /nfs/dbraw/zinc/74/60/07/368746007.db2.gz UATYHJJQADRCIT-INIZCTEOSA-N 1 0 299.418 3.360 50 0 CGAARO COc1ccc2c(c1)CC[NH2+][C@H]2Cc1ccccc1 ZINC000019625732 368757855 /nfs/dbraw/zinc/75/78/55/368757855.db2.gz NGZKDMVOMUBGNV-KRWDZBQOSA-N 1 0 253.345 3.125 50 0 CGAARO C[C@@H]1C[NH+](CCOc2cccc3ccccc32)C[C@@H](C)O1 ZINC000020117844 368803607 /nfs/dbraw/zinc/80/36/07/368803607.db2.gz VQSJNLVWGRESGA-HUUCEWRRSA-N 1 0 285.387 3.328 50 0 CGAARO CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000022852475 368813001 /nfs/dbraw/zinc/81/30/01/368813001.db2.gz PZUUYBBJVKYPEQ-QGZVFWFLSA-N 1 0 288.435 3.146 50 0 CGAARO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000023115162 368816930 /nfs/dbraw/zinc/81/69/30/368816930.db2.gz ZDSGTQBVMSPHSS-CQSZACIVSA-N 1 0 253.773 3.077 50 0 CGAARO CCC(CC)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019900092 368777005 /nfs/dbraw/zinc/77/70/05/368777005.db2.gz WJGXNJNQAVMLIC-UHFFFAOYSA-N 1 0 274.452 3.425 50 0 CGAARO Clc1ccccc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000032516056 368934718 /nfs/dbraw/zinc/93/47/18/368934718.db2.gz KJBOKHSSZYUWJS-ZDUSSCGKSA-N 1 0 264.800 3.056 50 0 CGAARO C[C@H](c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000032879570 368949071 /nfs/dbraw/zinc/94/90/71/368949071.db2.gz UEQZMHWGNPGBSY-CYBMUJFWSA-N 1 0 273.405 3.026 50 0 CGAARO C[NH+](C)C/C=C\C(O)(c1ccccc1)c1ccccc1 ZINC000033304660 368962421 /nfs/dbraw/zinc/96/24/21/368962421.db2.gz NIUAGZPKSVQRLN-ZROIWOOFSA-N 1 0 267.372 3.040 50 0 CGAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036096764 369008416 /nfs/dbraw/zinc/00/84/16/369008416.db2.gz LYSCBRMPBQEOAU-KRWDZBQOSA-N 1 0 293.451 3.321 50 0 CGAARO C[C@H](CNC(=O)c1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000047919982 369331680 /nfs/dbraw/zinc/33/16/80/369331680.db2.gz NMYFXKLPROBVOT-OAHLLOKOSA-N 1 0 296.414 3.302 50 0 CGAARO Cc1ccc(OCC[N@@H+](C)Cc2ccncc2)c(C)c1 ZINC000055198499 369513263 /nfs/dbraw/zinc/51/32/63/369513263.db2.gz IPBVJSKDOWAHNH-UHFFFAOYSA-N 1 0 270.376 3.209 50 0 CGAARO CCn1cc(C[N@H+](CCCSC)CC(C)C)cn1 ZINC000055392781 369516285 /nfs/dbraw/zinc/51/62/85/369516285.db2.gz DZIXLILVNSBMHF-UHFFFAOYSA-N 1 0 269.458 3.114 50 0 CGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000055384996 369516662 /nfs/dbraw/zinc/51/66/62/369516662.db2.gz DIMXVHYHBGIYSS-INIZCTEOSA-N 1 0 299.418 3.318 50 0 CGAARO Cc1cccc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c1C ZINC000055542934 369519334 /nfs/dbraw/zinc/51/93/34/369519334.db2.gz UABKYPRKIZVBCO-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cn2ccsc2n1 ZINC000065372146 369669588 /nfs/dbraw/zinc/66/95/88/369669588.db2.gz LJZNOWSHUTVYEC-NSHDSACASA-N 1 0 283.400 3.214 50 0 CGAARO C/C(=C\c1cc(Cl)ccc1O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000065404406 369674181 /nfs/dbraw/zinc/67/41/81/369674181.db2.gz DWNBSYAAFBWWTM-YQCJOKCJSA-N 1 0 294.826 3.085 50 0 CGAARO Cc1ccccc1[C@@H](C[NH2+]C1CCSCC1)N(C)C ZINC000065507566 369680771 /nfs/dbraw/zinc/68/07/71/369680771.db2.gz UOMOSADMYBYIGL-MRXNPFEDSA-N 1 0 278.465 3.083 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1C ZINC000069776697 369771926 /nfs/dbraw/zinc/77/19/26/369771926.db2.gz IOPGFDMOEJNSMP-KBPBESRZSA-N 1 0 292.448 3.145 50 0 CGAARO CCC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000068192712 369740572 /nfs/dbraw/zinc/74/05/72/369740572.db2.gz UDHAASDXCFMFLV-KRWDZBQOSA-N 1 0 288.435 3.123 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC000069877618 369773204 /nfs/dbraw/zinc/77/32/04/369773204.db2.gz ZKIYXZLZRXHENG-CVEARBPZSA-N 1 0 278.440 3.042 50 0 CGAARO C[N@H+]1CC=C(CN(C(=O)CCC2CCCC2)C2CC2)CC1 ZINC000067850701 369733164 /nfs/dbraw/zinc/73/31/64/369733164.db2.gz MHWKTWNVIKXEFP-UHFFFAOYSA-N 1 0 290.451 3.210 50 0 CGAARO Cc1nc(N(C)C[C@H](C)C[NH+]2CCCC2)nc2ccccc12 ZINC000067955823 369736612 /nfs/dbraw/zinc/73/66/12/369736612.db2.gz WFEPLLIWKXTTTJ-AWEZNQCLSA-N 1 0 298.434 3.106 50 0 CGAARO Fc1cccc(-c2nccn2CC[C@H]2CCCC[NH2+]2)c1F ZINC000072432844 369820708 /nfs/dbraw/zinc/82/07/08/369820708.db2.gz NFJFXTNOJIFXQH-GFCCVEGCSA-N 1 0 291.345 3.361 50 0 CGAARO c1ccc2sc(N3CCC([NH2+]C4CC4)CC3)nc2c1 ZINC000084603557 370013673 /nfs/dbraw/zinc/01/36/73/370013673.db2.gz PBDDTASQBHKMNN-UHFFFAOYSA-N 1 0 273.405 3.017 50 0 CGAARO Cc1cscc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000089708890 370046627 /nfs/dbraw/zinc/04/66/27/370046627.db2.gz JWIOAJBVSKSELW-KGLIPLIRSA-N 1 0 292.448 3.144 50 0 CGAARO Cc1nc(C)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000089559174 370043561 /nfs/dbraw/zinc/04/35/61/370043561.db2.gz YHBDZTJIGHKVBM-CABCVRRESA-N 1 0 293.480 3.207 50 0 CGAARO C[C@H](CCc1ccc(F)c(F)c1)[NH2+]C1CCOCC1 ZINC000089671385 370044901 /nfs/dbraw/zinc/04/49/01/370044901.db2.gz WWPBAIOBIANZON-LLVKDONJSA-N 1 0 269.335 3.055 50 0 CGAARO C[C@@H](Cc1nc2ccccc2s1)[N@H+](C)Cc1cnccn1 ZINC000089904319 370050790 /nfs/dbraw/zinc/05/07/90/370050790.db2.gz SHDCFOUVWUHWAL-LBPRGKRZSA-N 1 0 298.415 3.149 50 0 CGAARO CCC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccsc1 ZINC000089959050 370051667 /nfs/dbraw/zinc/05/16/67/370051667.db2.gz YRIRLDCOXHSTMS-AWEZNQCLSA-N 1 0 281.421 3.098 50 0 CGAARO CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089953345 370052536 /nfs/dbraw/zinc/05/25/36/370052536.db2.gz WRTIRNURNBSWKP-KRWDZBQOSA-N 1 0 288.435 3.348 50 0 CGAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)C2=CCCCC2)CC1 ZINC000095371531 370178864 /nfs/dbraw/zinc/17/88/64/370178864.db2.gz SPBLFSPDFMBLFU-AWEZNQCLSA-N 1 0 278.440 3.114 50 0 CGAARO CC(C)c1nnc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)n1C ZINC000097110035 370225820 /nfs/dbraw/zinc/22/58/20/370225820.db2.gz DYCOXSAEFQEPIM-UONOGXRCSA-N 1 0 286.423 3.220 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000097110877 370226515 /nfs/dbraw/zinc/22/65/15/370226515.db2.gz JCYCWHAZMHXTNL-OLZOCXBDSA-N 1 0 278.444 3.301 50 0 CGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2nonc21 ZINC000097578565 370247336 /nfs/dbraw/zinc/24/73/36/370247336.db2.gz FAEPHHHELWAJDN-CQSZACIVSA-N 1 0 298.346 3.165 50 0 CGAARO CC[NH+](CC)CCN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000097664122 370250280 /nfs/dbraw/zinc/25/02/80/370250280.db2.gz VQWNIGSJCYQLSN-CYBMUJFWSA-N 1 0 290.407 3.434 50 0 CGAARO COc1cccc(F)c1[C@@H](C)[NH2+]CCc1ccccn1 ZINC000095419138 370187090 /nfs/dbraw/zinc/18/70/90/370187090.db2.gz GJGCPAMCHVGZJP-GFCCVEGCSA-N 1 0 274.339 3.123 50 0 CGAARO CCOc1ccccc1[C@@H](CC)[NH2+]C1CCN(C)CC1 ZINC000095421549 370187730 /nfs/dbraw/zinc/18/77/30/370187730.db2.gz SRQFZUWVOWMIPY-MRXNPFEDSA-N 1 0 276.424 3.220 50 0 CGAARO C[C@@H]1C[N@@H+](Cc2cccc(NCc3cc[nH]c3)c2)C[C@H](C)O1 ZINC000095429243 370191319 /nfs/dbraw/zinc/19/13/19/370191319.db2.gz USIYHOULQTUBDX-GASCZTMLSA-N 1 0 299.418 3.236 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000095448933 370195168 /nfs/dbraw/zinc/19/51/68/370195168.db2.gz SNWVKMPOUHWWDZ-GXSJLCMTSA-N 1 0 282.434 3.115 50 0 CGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Nc1ccc(C)nc1 ZINC000096153431 370206038 /nfs/dbraw/zinc/20/60/38/370206038.db2.gz XGGNRTPDIBRUHG-AWEZNQCLSA-N 1 0 292.427 3.022 50 0 CGAARO c1csc(-c2ccc(N[C@@H]3C[NH+]4CCC3CC4)cc2)n1 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COC(=O)c1ccc([C@H](C)[N@@H+]2CCC3(CCC3)C2)o1 ZINC000170662468 372647487 /nfs/dbraw/zinc/64/74/87/372647487.db2.gz ACVGRAWYHLIEQZ-NSHDSACASA-N 1 0 263.337 3.003 50 0 CGAARO C[N@H+](Cc1cccnc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177052679 373651815 /nfs/dbraw/zinc/65/18/15/373651815.db2.gz GNSBCCLZHHUWMW-SFHVURJKSA-N 1 0 281.403 3.182 50 0 CGAARO CC[C@@H](C[NH2+]C1CCOCC1)Oc1ccccc1Cl ZINC000084733727 541934759 /nfs/dbraw/zinc/93/47/59/541934759.db2.gz UHRIUBHXGDYONL-ZDUSSCGKSA-N 1 0 283.799 3.266 50 0 CGAARO Cc1ccc(C[NH+](C)C)cc1NC1CCSCC1 ZINC000092172380 541973209 /nfs/dbraw/zinc/97/32/09/541973209.db2.gz ABSQLCXIMAJYTF-UHFFFAOYSA-N 1 0 264.438 3.364 50 0 CGAARO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000095996075 541992400 /nfs/dbraw/zinc/99/24/00/541992400.db2.gz KCGWWFAOCNXXLC-DZOHQFGASA-N 1 0 273.420 3.416 50 0 CGAARO C[C@@H](CC[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000193885452 375935633 /nfs/dbraw/zinc/93/56/33/375935633.db2.gz DCCKAGABDXKKPM-RDJZCZTQSA-N 1 0 284.407 3.109 50 0 CGAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000194933951 376062390 /nfs/dbraw/zinc/06/23/90/376062390.db2.gz CRDGHBGZAGSRMT-MRXNPFEDSA-N 1 0 295.427 3.049 50 0 CGAARO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1CCO ZINC000194965604 376064297 /nfs/dbraw/zinc/06/42/97/376064297.db2.gz DZECTIPDRISLLO-COXVUDFISA-N 1 0 289.419 3.213 50 0 CGAARO FC(F)(F)c1ccc(SCCC[NH+]2CCCC2)nn1 ZINC000195078359 376075261 /nfs/dbraw/zinc/07/52/61/376075261.db2.gz VUXLJGRYUZXYBZ-UHFFFAOYSA-N 1 0 291.342 3.073 50 0 CGAARO Cc1cc(C[N@H+](C)C[C@H]2CCOC(C)(C)C2)ccn1 ZINC000215687187 376150674 /nfs/dbraw/zinc/15/06/74/376150674.db2.gz IGUWCMIRPNCSNX-HNNXBMFYSA-N 1 0 262.397 3.027 50 0 CGAARO CCCn1ncc(C[N@@H+]2CCC[C@@]3(CCCO3)CC2)c1C ZINC000215822913 376151805 /nfs/dbraw/zinc/15/18/05/376151805.db2.gz ZDFBGLFOADTADO-QGZVFWFLSA-N 1 0 291.439 3.137 50 0 CGAARO CC1=CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000215971295 376155479 /nfs/dbraw/zinc/15/54/79/376155479.db2.gz WPANPLCFYLBTKP-UHFFFAOYSA-N 1 0 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CC[C@H](c1ccc(F)cc1)[NH+]1CCC([C@H](C)O)CC1 ZINC000096414880 392251450 /nfs/dbraw/zinc/25/14/50/392251450.db2.gz ZLBDPFMOZWJGAP-BLLLJJGKSA-N 1 0 265.372 3.370 50 0 CGAARO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129554914 392451893 /nfs/dbraw/zinc/45/18/93/392451893.db2.gz UQNYWAMMVLXULL-FIQHERPVSA-N 1 0 294.361 3.000 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)C2 ZINC000252513274 285509170 /nfs/dbraw/zinc/50/91/70/285509170.db2.gz XZOVXEARMQFIAA-MLHJIOFPSA-N 1 0 283.415 3.091 50 0 CGAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(C(C)(C)C)no1 ZINC000194941056 392947749 /nfs/dbraw/zinc/94/77/49/392947749.db2.gz JWFIXAWHTJWCBX-INIZCTEOSA-N 1 0 295.427 3.148 50 0 CGAARO CCC[NH+](CCC)C[C@H](C)NC(=O)OC(C)(C)C ZINC000526056029 392954467 /nfs/dbraw/zinc/95/44/67/392954467.db2.gz DMHFFLUYOJEFDF-LBPRGKRZSA-N 1 0 258.406 3.022 50 0 CGAARO CCn1ncc(C[NH2+]CC2CCC(c3ccccc3)CC2)n1 ZINC000585087111 542769118 /nfs/dbraw/zinc/76/91/18/542769118.db2.gz BYQDQCZAZPYDDD-UHFFFAOYSA-N 1 0 298.434 3.362 50 0 CGAARO CC(C)Oc1ccc(C[N@H+](C)Cc2ccoc2)cc1CO ZINC000670447984 543155168 /nfs/dbraw/zinc/15/51/68/543155168.db2.gz QNTHDZFUYLNCNM-UHFFFAOYSA-N 1 0 289.375 3.191 50 0 CGAARO Cc1nccn1CC[C@H](C)[NH+]1CC(Oc2cccc(C)c2)C1 ZINC000670471854 543156739 /nfs/dbraw/zinc/15/67/39/543156739.db2.gz SMHHDMOJFDTKKP-HNNXBMFYSA-N 1 0 299.418 3.042 50 0 CGAARO CC1(C)Cc2cc(C[NH2+]Cc3ccccc3CO)ccc2O1 ZINC000105422768 397651411 /nfs/dbraw/zinc/65/14/11/397651411.db2.gz HXABDVKKCUJHGF-UHFFFAOYSA-N 1 0 297.398 3.182 50 0 CGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000090453704 165234438 /nfs/dbraw/zinc/23/44/38/165234438.db2.gz LGQCTESZNAVOTH-WFASDCNBSA-N 1 0 285.416 3.094 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000093235485 287115118 /nfs/dbraw/zinc/11/51/18/287115118.db2.gz HSJSFVBBVQMMHC-CQSZACIVSA-N 1 0 282.387 3.252 50 0 CGAARO [NH3+]CCc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000001711135 169747549 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/nfs/dbraw/zinc/03/40/91/170034091.db2.gz IZCMLUWPEUGPBH-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO Clc1ccc(OCC[NH+]2CCCC2)c(Cl)c1 ZINC000004990032 170050530 /nfs/dbraw/zinc/05/05/30/170050530.db2.gz YFMOKECXKNYEFE-UHFFFAOYSA-N 1 0 260.164 3.468 50 0 CGAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000006645716 170221792 /nfs/dbraw/zinc/22/17/92/170221792.db2.gz GUIUMNCGDSRFHX-AWEZNQCLSA-N 1 0 254.308 3.398 50 0 CGAARO CC(C)(CNC(=S)Nc1ccccc1)[NH+]1CCCCC1 ZINC000006830938 170247310 /nfs/dbraw/zinc/24/73/10/170247310.db2.gz YSCNVSFIYSPTAK-UHFFFAOYSA-N 1 0 291.464 3.238 50 0 CGAARO CCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007262392 170274353 /nfs/dbraw/zinc/27/43/53/170274353.db2.gz KOZWJPJLWKNFKM-LBPRGKRZSA-N 1 0 259.349 3.500 50 0 CGAARO Cc1ccc2c(C[NH2+]Cc3ccccc3)cc(=O)oc2c1 ZINC000008343443 170332030 /nfs/dbraw/zinc/33/20/30/170332030.db2.gz KJXWXGUCLTZOCL-UHFFFAOYSA-N 1 0 279.339 3.391 50 0 CGAARO CCc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008714069 170348550 /nfs/dbraw/zinc/34/85/50/170348550.db2.gz WGYHBLVCOCAVRE-UHFFFAOYSA-N 1 0 270.376 3.407 50 0 CGAARO Brc1cccc(CSC2=[NH+]CCCN2)c1 ZINC000009747102 170385263 /nfs/dbraw/zinc/38/52/63/170385263.db2.gz CGIDYYQUPUCHTE-UHFFFAOYSA-N 1 0 285.210 3.032 50 0 CGAARO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020305533 171142232 /nfs/dbraw/zinc/14/22/32/171142232.db2.gz NZIRKSXWIPMIEW-LJQANCHMSA-N 1 0 280.415 3.359 50 0 CGAARO CCN1CC[NH+](CCCCOc2cccc(Cl)c2)CC1 ZINC000020389760 171179253 /nfs/dbraw/zinc/17/92/53/171179253.db2.gz VYXWUJUSJSPXAN-UHFFFAOYSA-N 1 0 296.842 3.137 50 0 CGAARO CCc1cc(OCCCC[NH2+]CCN(C)C)ccc1Cl ZINC000020418819 171183587 /nfs/dbraw/zinc/18/35/87/171183587.db2.gz JBMLJBXMZYJXJU-UHFFFAOYSA-N 1 0 298.858 3.213 50 0 CGAARO c1csc(-c2noc(C[NH2+]C3Cc4ccccc4C3)n2)c1 ZINC000020421620 171187972 /nfs/dbraw/zinc/18/79/72/171187972.db2.gz WMMWKOASBYHONC-UHFFFAOYSA-N 1 0 297.383 3.055 50 0 CGAARO C[C@@H]([NH2+]Cc1cc(Br)cs1)[C@@H]1CCCO1 ZINC000020475178 171219304 /nfs/dbraw/zinc/21/93/04/171219304.db2.gz CGDLPVHEMZFSMB-KCJUWKMLSA-N 1 0 290.226 3.168 50 0 CGAARO CC[C@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020927629 171280283 /nfs/dbraw/zinc/28/02/83/171280283.db2.gz VHUWBIGIYVIQGW-VIFPVBQESA-N 1 0 272.186 3.346 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000022455527 171388392 /nfs/dbraw/zinc/38/83/92/171388392.db2.gz HBRULDLGSGQNDI-MRXNPFEDSA-N 1 0 290.451 3.092 50 0 CGAARO Cc1cc(NCCCn2ccnc2)c2ccccc2[nH+]1 ZINC000035206348 172050365 /nfs/dbraw/zinc/05/03/65/172050365.db2.gz AUXRTCPSDQHPGG-UHFFFAOYSA-N 1 0 266.348 3.242 50 0 CGAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580888 174148327 /nfs/dbraw/zinc/14/83/27/174148327.db2.gz TWKJMDZZIWMLFH-VIFPVBQESA-N 1 0 290.588 3.233 50 0 CGAARO Fc1ccc(OCCC[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000046092740 175392896 /nfs/dbraw/zinc/39/28/96/175392896.db2.gz GIBQXNOONLCXSG-AWEZNQCLSA-N 1 0 293.382 3.096 50 0 CGAARO C[N@H+](CCCc1cn[nH]c1)Cc1nc2ccccc2s1 ZINC000071921537 176300819 /nfs/dbraw/zinc/30/08/19/176300819.db2.gz AERNISQZSMOELX-UHFFFAOYSA-N 1 0 286.404 3.084 50 0 CGAARO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC2)c1 ZINC000072063989 176311867 /nfs/dbraw/zinc/31/18/67/176311867.db2.gz JDPWBOPLPOKXTQ-UHFFFAOYSA-N 1 0 294.398 3.165 50 0 CGAARO C[C@@H](CC[N@@H+]1CCCn2cncc2C1)c1ccccc1 ZINC000072143773 176324363 /nfs/dbraw/zinc/32/43/63/176324363.db2.gz HNTCWAOUWAITFS-HNNXBMFYSA-N 1 0 269.392 3.283 50 0 CGAARO Cc1cccc(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000072408377 176398512 /nfs/dbraw/zinc/39/85/12/176398512.db2.gz IJZHEDZFCPSFAI-UHFFFAOYSA-N 1 0 282.387 3.433 50 0 CGAARO Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccccc1)CC3 ZINC000084334719 416496031 /nfs/dbraw/zinc/49/60/31/416496031.db2.gz NVPDUOZQDDUHDX-UVTDQMKNSA-N 1 0 263.320 3.209 50 0 CGAARO CC(=O)Nc1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000657837268 419381406 /nfs/dbraw/zinc/38/14/06/419381406.db2.gz RTSQDJOFSMZNDZ-SNVBAGLBSA-N 1 0 284.350 3.414 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000527771424 270135233 /nfs/dbraw/zinc/13/52/33/270135233.db2.gz ILOWVVQDOVPWET-HNNXBMFYSA-N 1 0 273.405 3.478 50 0 CGAARO C[NH2+]C[C@@H](O)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248422 270197561 /nfs/dbraw/zinc/19/75/61/270197561.db2.gz NDPMIHCAKCZGDM-GOSISDBHSA-N 1 0 283.371 3.148 50 0 CGAARO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@@H]2C ZINC000000197787 277853182 /nfs/dbraw/zinc/85/31/82/277853182.db2.gz KCZUHRBFIBQTEV-LLVKDONJSA-N 1 0 261.365 3.180 50 0 biogenic CGAARO COc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1O ZINC000020203966 277898377 /nfs/dbraw/zinc/89/83/77/277898377.db2.gz ACOBVNAKWUEAHS-CYBMUJFWSA-N 1 0 273.332 3.161 50 0 CGAARO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H](C)n1cccn1 ZINC000069973904 278356847 /nfs/dbraw/zinc/35/68/47/278356847.db2.gz SMEWFOFGTYAMFM-KGLIPLIRSA-N 1 0 296.374 3.277 50 0 CGAARO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CCO1 ZINC000336593499 278515571 /nfs/dbraw/zinc/51/55/71/278515571.db2.gz ZWEIHFQXCCNZTD-STQMWFEESA-N 1 0 257.443 3.065 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534837 279522131 /nfs/dbraw/zinc/52/21/31/279522131.db2.gz JYWGIVJNOTYUES-SUMWQHHRSA-N 1 0 292.386 3.097 50 0 CGAARO Cc1cc(=O)c2ccccc2n1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000095367697 280303419 /nfs/dbraw/zinc/30/34/19/280303419.db2.gz BZMUTWJEONFAKA-OAHLLOKOSA-N 1 0 284.403 3.040 50 0 CGAARO COc1ccc([C@H]([NH2+]C2CCN(C)CC2)C(C)C)c(F)c1 ZINC000421821444 295244457 /nfs/dbraw/zinc/24/44/57/295244457.db2.gz RKJUPYRFOUJJTO-QGZVFWFLSA-N 1 0 294.414 3.215 50 0 CGAARO Cc1ccccc1CN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000195529938 302096695 /nfs/dbraw/zinc/09/66/95/302096695.db2.gz CFEXLUKLFJMRBG-GOSISDBHSA-N 1 0 296.414 3.434 50 0 CGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2cccc(C)c2)CC1 ZINC000534676959 328352077 /nfs/dbraw/zinc/35/20/77/328352077.db2.gz PBKDZBWQKAGOOQ-CQSZACIVSA-N 1 0 288.435 3.267 50 0 CGAARO OC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127693171 329528098 /nfs/dbraw/zinc/52/80/98/329528098.db2.gz PPZRJXYNGINODQ-LPWJVIDDSA-N 1 0 279.346 3.248 50 0 CGAARO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC[NH3+] ZINC000162037516 329528366 /nfs/dbraw/zinc/52/83/66/329528366.db2.gz VQLGJJXDJOCREW-CQSZACIVSA-N 1 0 282.387 3.222 50 0 CGAARO COc1cc(C[NH2+]Cc2cccc(F)c2)cc(OC)c1 ZINC000004997071 522466366 /nfs/dbraw/zinc/46/63/66/522466366.db2.gz SPUDEXCLFPQGEO-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO c1cnn(-c2cccc(-c3ccc4c(c3)C[NH2+]CC4)c2)c1 ZINC000067872628 526551748 /nfs/dbraw/zinc/55/17/48/526551748.db2.gz RZBCQAWOCMQSSJ-UHFFFAOYSA-N 1 0 275.355 3.185 50 0 CGAARO CC(C)c1cc(N2CCC([NH+](C)C)CC2)nc(C(C)C)n1 ZINC000089893315 535369491 /nfs/dbraw/zinc/36/94/91/535369491.db2.gz JZBACFCBUPWQCX-UHFFFAOYSA-N 1 0 290.455 3.254 50 0 CGAARO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)c1 ZINC000083689581 566863220 /nfs/dbraw/zinc/86/32/20/566863220.db2.gz MKBXZIVPHYQFKK-OAHLLOKOSA-N 1 0 298.386 3.088 50 0 CGAARO Cc1cc(C[N@H+](C)CCc2c[nH]c3ccccc23)on1 ZINC000019742778 618970652 /nfs/dbraw/zinc/97/06/52/618970652.db2.gz MJMXCBZKDZTATN-UHFFFAOYSA-N 1 0 269.348 3.139 50 0 CGAARO Cc1csc(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)n1 ZINC000185120390 625308080 /nfs/dbraw/zinc/30/80/80/625308080.db2.gz AEDQMTSADAHVTG-CQSZACIVSA-N 1 0 296.823 3.102 50 0 CGAARO Cc1cc(N[C@@H](C)c2ccccc2Cl)nc(N)[nH+]1 ZINC000043532808 622319247 /nfs/dbraw/zinc/31/92/47/622319247.db2.gz SDFVWIXTKIJQPJ-VIFPVBQESA-N 1 0 262.744 3.194 50 0 CGAARO CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000172250275 623234582 /nfs/dbraw/zinc/23/45/82/623234582.db2.gz WKNVZQPHWOGYFH-LBPRGKRZSA-N 1 0 275.352 3.342 50 0 CGAARO CC[C@H]([NH2+]Cc1scnc1C)c1cccc(OC)n1 ZINC000863983908 629721146 /nfs/dbraw/zinc/72/11/46/629721146.db2.gz NDAMVEFPRDVLTR-NSHDSACASA-N 1 0 277.393 3.096 50 0 CGAARO C/C=C/CC[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000089729805 640656844 /nfs/dbraw/zinc/65/68/44/640656844.db2.gz NNYRXSYLIRZPLQ-CWDCEQMOSA-N 1 0 265.372 3.329 50 0 CGAARO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093809488 640781958 /nfs/dbraw/zinc/78/19/58/640781958.db2.gz FFJPXYMMZLVTDB-ZDUSSCGKSA-N 1 0 280.437 3.248 50 0 CGAARO Cc1cc2c(cc1C)N1CC[NH+]=C1N2Cc1ccccc1 ZINC000000229342 640920025 /nfs/dbraw/zinc/92/00/25/640920025.db2.gz UTQOFZZHWIDXBK-UHFFFAOYSA-N 1 0 277.371 3.500 50 0 CGAARO Cc1ccoc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000020109982 641040050 /nfs/dbraw/zinc/04/00/50/641040050.db2.gz QZJJBMVGGZFACK-UHFFFAOYSA-N 1 0 271.360 3.072 50 0 CGAARO C[C@H](c1cccc(-c2cncc(C(N)=O)c2)c1)[NH+]1CCCC1 ZINC000032598265 798849155 /nfs/dbraw/zinc/84/91/55/798849155.db2.gz DDZSWVRSWIKEEU-CYBMUJFWSA-N 1 0 295.386 3.004 50 0 CGAARO CCCOc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cl ZINC000065383522 798907778 /nfs/dbraw/zinc/90/77/78/798907778.db2.gz LROJYDWBIRVPRD-AWEZNQCLSA-N 1 0 291.782 3.087 50 0 CGAARO CCCSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC)cc1 ZINC001506412498 927397250 /nfs/dbraw/zinc/39/72/50/927397250.db2.gz DOVMEYVFYRBBQL-GFCCVEGCSA-N 1 0 280.437 3.467 50 0 CGAARO CCC[N@@H+]1CC[C@H](Nc2cc(C)c3ccc(OC)cc3n2)C1 ZINC001506401405 937989579 /nfs/dbraw/zinc/98/95/79/937989579.db2.gz CWUXRLPWONNLCH-AWEZNQCLSA-N 1 0 299.418 3.448 50 0 CGAARO CCCC[C@@H]1C=CC[N@@H+]1Cc1cccc2nonc21 ZINC001506417525 937989984 /nfs/dbraw/zinc/98/99/84/937989984.db2.gz MVESITUMMXGLSV-CYBMUJFWSA-N 1 0 257.337 3.153 50 0 CGAARO C[N@@H+]1CCC[C@@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001506424392 937990148 /nfs/dbraw/zinc/99/01/48/937990148.db2.gz JOPDUGXJWDSKAI-CYBMUJFWSA-N 1 0 275.783 3.394 50 0 CGAARO CC[C@H](Nc1nc(N(C)C)[nH+]c(C)c1C)c1ccncc1 ZINC001529174663 938071371 /nfs/dbraw/zinc/07/13/71/938071371.db2.gz WMSGYHPEEONNCF-AWEZNQCLSA-N 1 0 285.395 3.118 50 0 CGAARO C[C@H](C[NH2+]Cc1cccnc1)c1nc2ccccc2o1 ZINC000096446419 230374761 /nfs/dbraw/zinc/37/47/61/230374761.db2.gz XAHOGPGKBUFZEX-GFCCVEGCSA-N 1 0 267.332 3.116 50 0 CGAARO CSCc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000189492466 230396034 /nfs/dbraw/zinc/39/60/34/230396034.db2.gz GEGLTOUTPPCTBJ-UHFFFAOYSA-N 1 0 258.390 3.234 50 0 CGAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000097480233 282090648 /nfs/dbraw/zinc/09/06/48/282090648.db2.gz AJVHBMXOTODJLE-INIZCTEOSA-N 1 0 292.386 3.375 50 0 CGAARO CSc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1F ZINC000095967282 185046313 /nfs/dbraw/zinc/04/63/13/185046313.db2.gz CXNIBKIRGVIPRT-SNVBAGLBSA-N 1 0 279.384 3.132 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000095967598 185047047 /nfs/dbraw/zinc/04/70/47/185047047.db2.gz DECBQQUUXOAGBZ-NLNFPOJYSA-N 1 0 288.435 3.347 50 0 CGAARO CC(C)[C@H]([NH2+]C1CCOCC1)c1ccc(F)cc1F ZINC000095969322 185047435 /nfs/dbraw/zinc/04/74/35/185047435.db2.gz GUZOFNYFASVEFE-HNNXBMFYSA-N 1 0 269.335 3.431 50 0 CGAARO C[C@H](CO)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968676 185047784 /nfs/dbraw/zinc/04/77/84/185047784.db2.gz NCPNPNNHBYPELA-BDAKNGLRSA-N 1 0 261.337 3.033 50 0 CGAARO C[C@H]([NH2+]CCn1ccnc1)c1c(F)cccc1Cl ZINC000095985950 185055847 /nfs/dbraw/zinc/05/58/47/185055847.db2.gz MMMOPTGPPWHFAB-JTQLQIEISA-N 1 0 267.735 3.026 50 0 CGAARO CCC[C@H](C[N@@H+]1CCCN(C(C)=O)CC1)c1ccccc1 ZINC000095986559 185055885 /nfs/dbraw/zinc/05/58/85/185055885.db2.gz VQPLJVVXKKBSIT-GOSISDBHSA-N 1 0 288.435 3.125 50 0 CGAARO C[C@@H]([NH2+]CCn1ccnc1)c1c(F)cccc1Cl ZINC000095985951 185056017 /nfs/dbraw/zinc/05/60/17/185056017.db2.gz MMMOPTGPPWHFAB-SNVBAGLBSA-N 1 0 267.735 3.026 50 0 CGAARO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccnc(SC(C)(C)C)c1 ZINC000095995903 185060068 /nfs/dbraw/zinc/06/00/68/185060068.db2.gz PTRKUSKIWZERIP-YPMHNXCESA-N 1 0 280.437 3.239 50 0 CGAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)C1CCSCC1 ZINC000097657291 529982499 /nfs/dbraw/zinc/98/24/99/529982499.db2.gz VVIILPFWOAIISG-UHFFFAOYSA-N 1 0 293.461 3.466 50 0 CGAARO CN(C)CC[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC000022455683 344895556 /nfs/dbraw/zinc/89/55/56/344895556.db2.gz APSAANANMYXILX-UHFFFAOYSA-N 1 0 260.425 3.206 50 0 CGAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2cccs2)N1O ZINC000033838039 344936844 /nfs/dbraw/zinc/93/68/44/344936844.db2.gz KGTAFXKBQLSUQB-NHYWBVRUSA-N 1 0 288.372 3.014 50 0 CGAARO NC(=[NH2+])NCCCN1c2ccccc2Sc2ccccc21 ZINC000072233667 345407323 /nfs/dbraw/zinc/40/73/23/345407323.db2.gz MXOYRIIYBHOXJV-UHFFFAOYSA-N 1 0 298.415 3.162 50 0 CGAARO COc1ccc2cc(C[NH2+]C3(CCO)CCC3)ccc2c1 ZINC000078996599 345627574 /nfs/dbraw/zinc/62/75/74/345627574.db2.gz REJHLHJMUIPBNX-UHFFFAOYSA-N 1 0 285.387 3.243 50 0 CGAARO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CCC(=O)c1ccccc1 ZINC000096026514 345901771 /nfs/dbraw/zinc/90/17/71/345901771.db2.gz ZKLHFLNDKHNOSE-DNVCBOLYSA-N 1 0 297.398 3.313 50 0 CGAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000189343602 346263278 /nfs/dbraw/zinc/26/32/78/346263278.db2.gz QYLGLRFXCKSFRH-HGCLJGPKSA-N 1 0 263.303 3.017 50 0 CGAARO c1ccc2ncc(C[NH2+][C@@H]3CCCSC3)cc2c1 ZINC000310575079 346471184 /nfs/dbraw/zinc/47/11/84/346471184.db2.gz KCFUXCLTHGJOBQ-CQSZACIVSA-N 1 0 258.390 3.220 50 0 CGAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)C2CCC2)CC1 ZINC000409421177 346605410 /nfs/dbraw/zinc/60/54/10/346605410.db2.gz VXWIXGZQFLDGIJ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/36/23/43/368362343.db2.gz FYXRVZYFFVRYFG-LLVKDONJSA-N 1 0 267.336 3.026 50 0 CGAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCC1 ZINC000001909578 368441823 /nfs/dbraw/zinc/44/18/23/368441823.db2.gz IFQIUOPKWZCIFU-HNNXBMFYSA-N 1 0 294.398 3.251 50 0 CGAARO CCOCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000002178140 368449130 /nfs/dbraw/zinc/44/91/30/368449130.db2.gz ADWDXSBHKBDJFU-UHFFFAOYSA-N 1 0 273.376 3.365 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)/C=C/c1ccccc1 ZINC000001776675 368437954 /nfs/dbraw/zinc/43/79/54/368437954.db2.gz CWYIKQNGWIEZGZ-NKSUMMKUSA-N 1 0 273.376 3.117 50 0 CGAARO CC[NH+](CC)CCOC(=O)C1(c2ccccc2)CCCC1 ZINC000001847743 368439814 /nfs/dbraw/zinc/43/98/14/368439814.db2.gz OFAIGZWCDGNZGT-UHFFFAOYSA-N 1 0 289.419 3.383 50 0 in-man CGAARO CC(C)C[C@H]([NH3+])P(=O)(OC(C)C)OC(C)C ZINC000001871482 368439968 /nfs/dbraw/zinc/43/99/68/368439968.db2.gz ROBZAJLOHJJLGY-LLVKDONJSA-N 1 0 251.307 3.360 50 0 CGAARO O[C@]12CCCC[C@H]1[C@H](c1c(F)cccc1Cl)[NH2+]CC2 ZINC000002472563 368455833 /nfs/dbraw/zinc/45/58/33/368455833.db2.gz VRKYTJBOOFTEQT-VQISRLSMSA-N 1 0 283.774 3.435 50 0 CGAARO O=C(C[NH+]1CCCCC1)Nc1ccc2ccccc2c1 ZINC000003339972 368503021 /nfs/dbraw/zinc/50/30/21/368503021.db2.gz VXYZCGGJWWYYBB-UHFFFAOYSA-N 1 0 268.360 3.264 50 0 CGAARO CC(C)[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000003001138 368488132 /nfs/dbraw/zinc/48/81/32/368488132.db2.gz LIAIKEXLWCJQDH-UHFFFAOYSA-N 1 0 273.829 3.447 50 0 CGAARO COc1ccccc1[C@]1(CC[NH3+])CCO[C@H](C(C)C)C1 ZINC000004043967 368528512 /nfs/dbraw/zinc/52/85/12/368528512.db2.gz UBPJRGWVQZCLHX-DLBZAZTESA-N 1 0 277.408 3.117 50 0 biogenic CGAARO c1ccc(CCC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000004107997 368531502 /nfs/dbraw/zinc/53/15/02/368531502.db2.gz CVAPBKKAWGUIRI-MRXNPFEDSA-N 1 0 283.371 3.049 50 0 CGAARO COc1ccc2cc(CCSC(N)=[NH2+])c(Cl)nc2c1 ZINC000004137097 368532385 /nfs/dbraw/zinc/53/23/85/368532385.db2.gz GAISGOJBEMZFJS-UHFFFAOYSA-N 1 0 295.795 3.066 50 0 CGAARO Clc1ccc(-c2nnc(C[NH2+]C3CCCC3)o2)cc1 ZINC000003395019 368506244 /nfs/dbraw/zinc/50/62/44/368506244.db2.gz QPQPNJVRKYVKPW-UHFFFAOYSA-N 1 0 277.755 3.422 50 0 CGAARO COc1ccc(CNc2cccc3[nH+]c(C)[nH]c32)cc1 ZINC000004625938 368553194 /nfs/dbraw/zinc/55/31/94/368553194.db2.gz GPOIKDCPLXAWBO-UHFFFAOYSA-N 1 0 267.332 3.492 50 0 CGAARO COC(=O)C[C@@H]([NH3+])c1ccc(F)c(Oc2ccccc2)c1 ZINC000004775488 368558922 /nfs/dbraw/zinc/55/89/22/368558922.db2.gz RYDWAJUCDLIGFW-CQSZACIVSA-N 1 0 289.306 3.181 50 0 CGAARO CC[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000004167777 368535246 /nfs/dbraw/zinc/53/52/46/368535246.db2.gz USZGULIHQBCUKP-UHFFFAOYSA-N 1 0 255.361 3.402 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004305147 368542593 /nfs/dbraw/zinc/54/25/93/368542593.db2.gz VWTPLFUVVFAARL-DOTOQJQBSA-N 1 0 291.435 3.226 50 0 CGAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000004525063 368549260 /nfs/dbraw/zinc/54/92/60/368549260.db2.gz OCFLFQDQCLZABG-IJEWVQPXSA-N 1 0 275.392 3.351 50 0 CGAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)o1 ZINC000011503134 368591522 /nfs/dbraw/zinc/59/15/22/368591522.db2.gz WYMJBKOBCJDZAX-WBMJQRKESA-N 1 0 298.386 3.134 50 0 CGAARO CC1(C)CNC(SCc2cccc3cccnc32)=[NH+]C1 ZINC000012686184 368624341 /nfs/dbraw/zinc/62/43/41/368624341.db2.gz QCTWNVPUISKLGO-UHFFFAOYSA-N 1 0 285.416 3.453 50 0 CGAARO CCN(CC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000019633466 368759084 /nfs/dbraw/zinc/75/90/84/368759084.db2.gz JHAYTIMFZMCWTJ-UHFFFAOYSA-N 1 0 275.223 3.377 50 0 CGAARO COc1cccc(C[NH2+]CCc2cccc(F)c2)c1 ZINC000019720905 368762076 /nfs/dbraw/zinc/76/20/76/368762076.db2.gz UJLUPYVPXITEGK-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO COc1ccccc1C[NH2+]CCc1cccc(F)c1 ZINC000019720686 368762086 /nfs/dbraw/zinc/76/20/86/368762086.db2.gz PHZSUWYEINSOBM-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO c1coc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019842544 368771134 /nfs/dbraw/zinc/77/11/34/368771134.db2.gz RAQSSYKTHXSSMO-UHFFFAOYSA-N 1 0 262.397 3.120 50 0 CGAARO CC(C)[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019853954 368774545 /nfs/dbraw/zinc/77/45/45/368774545.db2.gz WBQGMNBUYLVWFE-UHFFFAOYSA-N 1 0 268.404 3.366 50 0 CGAARO Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000019367883 368749493 /nfs/dbraw/zinc/74/94/93/368749493.db2.gz CDPSJODEEANFNM-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019359696 368749542 /nfs/dbraw/zinc/74/95/42/368749542.db2.gz AFMSOFCDKXCYJS-UHFFFAOYSA-N 1 0 258.409 3.137 50 0 CGAARO Fc1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019880278 368775323 /nfs/dbraw/zinc/77/53/23/368775323.db2.gz ASHSTEJRNUUTIG-MRXNPFEDSA-N 1 0 288.410 3.300 50 0 CGAARO CC[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019536534 368756919 /nfs/dbraw/zinc/75/69/19/368756919.db2.gz CMHWQFPBKZEEOC-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO C[C@H]1C[NH+](CCOc2cccc3ccccc32)C[C@H](C)O1 ZINC000020117847 368803800 /nfs/dbraw/zinc/80/38/00/368803800.db2.gz VQSJNLVWGRESGA-GJZGRUSLSA-N 1 0 285.387 3.328 50 0 CGAARO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000023114919 368815762 /nfs/dbraw/zinc/81/57/62/368815762.db2.gz QPQMTCJYGDZTJX-CQSZACIVSA-N 1 0 298.224 3.186 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023282045 368820647 /nfs/dbraw/zinc/82/06/47/368820647.db2.gz JJYRBCABTTXNBQ-SFHVURJKSA-N 1 0 297.398 3.222 50 0 CGAARO COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000019904667 368778900 /nfs/dbraw/zinc/77/89/00/368778900.db2.gz KPLLOIJIJGFZDU-ZJUUUORDSA-N 1 0 272.186 3.135 50 0 CGAARO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000027369187 368871577 /nfs/dbraw/zinc/87/15/77/368871577.db2.gz HBFFHBFIRJJSSM-KRWDZBQOSA-N 1 0 282.387 3.272 50 0 CGAARO NC(=[NH2+])SCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000029336560 368894403 /nfs/dbraw/zinc/89/44/03/368894403.db2.gz GYTJQEMSGUALRN-UHFFFAOYSA-N 1 0 285.372 3.066 50 0 CGAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000030640855 368905011 /nfs/dbraw/zinc/90/50/11/368905011.db2.gz KCEUPXMTSKLBOK-CYBMUJFWSA-N 1 0 283.375 3.281 50 0 CGAARO COc1cccc2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000034090541 368971218 /nfs/dbraw/zinc/97/12/18/368971218.db2.gz YZGRIGRHOOHRTP-AWEZNQCLSA-N 1 0 287.428 3.446 50 0 in-vitro CGAARO COc1ccc(-c2nc3cc(C)ccn3c2C[NH+](C)C)cc1 ZINC000031933070 368920664 /nfs/dbraw/zinc/92/06/64/368920664.db2.gz UTJPQUKMECIGCK-UHFFFAOYSA-N 1 0 295.386 3.380 50 0 CGAARO Cc1ccc(F)c(NC(=O)[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000032915756 368952390 /nfs/dbraw/zinc/95/23/90/368952390.db2.gz LPHDKPXPDDMFOT-AWEZNQCLSA-N 1 0 292.398 3.441 50 0 CGAARO FC(F)SCc1ccc(C[NH2+]C[C@@H]2CCCO2)o1 ZINC000035014487 368989769 /nfs/dbraw/zinc/98/97/69/368989769.db2.gz JMHJWYPIPJRQRO-VIFPVBQESA-N 1 0 277.336 3.004 50 0 CGAARO C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000040160655 369151602 /nfs/dbraw/zinc/15/16/02/369151602.db2.gz NRPRNMMXOSEXQW-NSHDSACASA-N 1 0 299.296 3.408 50 0 CGAARO COc1ccccc1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000038219501 369144665 /nfs/dbraw/zinc/14/46/65/369144665.db2.gz OKADRUQFGKMRQU-OAHLLOKOSA-N 1 0 289.419 3.301 50 0 CGAARO CSc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000042364962 369217468 /nfs/dbraw/zinc/21/74/68/369217468.db2.gz OMQAFWHSPRMESA-CQSZACIVSA-N 1 0 265.422 3.409 50 0 CGAARO c1ccc(-c2ccc(OC[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773095 369231068 /nfs/dbraw/zinc/23/10/68/369231068.db2.gz MJHMSXXPMCQNAH-AWEZNQCLSA-N 1 0 253.345 3.342 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000042975915 369239177 /nfs/dbraw/zinc/23/91/77/369239177.db2.gz WSGAVMUUSDUBGN-UHFFFAOYSA-N 1 0 259.324 3.466 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000042976064 369239227 /nfs/dbraw/zinc/23/92/27/369239227.db2.gz YEQOCVWEAHDHDP-UHFFFAOYSA-N 1 0 259.324 3.466 50 0 CGAARO CCCCc1cn(C2CC[NH+]([C@H](C)CC3CC3)CC2)nn1 ZINC000048130371 369336496 /nfs/dbraw/zinc/33/64/96/369336496.db2.gz KGGDEHQHTHCCQE-CQSZACIVSA-N 1 0 290.455 3.446 50 0 CGAARO CCOC(=O)c1c(C)[nH]c(C[NH2+]C2CCCCC2)c1C ZINC000049455847 369402965 /nfs/dbraw/zinc/40/29/65/369402965.db2.gz UDUVASMSJVQXIC-UHFFFAOYSA-N 1 0 278.396 3.231 50 0 CGAARO OCC[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000049801444 369416367 /nfs/dbraw/zinc/41/63/67/369416367.db2.gz SWABMRJFHYYKDQ-OAHLLOKOSA-N 1 0 286.375 3.079 50 0 CGAARO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c(OC)c1 ZINC000050268034 369433282 /nfs/dbraw/zinc/43/32/82/369433282.db2.gz YLSUYFXPYHEORI-JSGCOSHPSA-N 1 0 277.364 3.047 50 0 CGAARO Cc1ccoc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224934 369498569 /nfs/dbraw/zinc/49/85/69/369498569.db2.gz ZFAMIJAOYNIUAO-HOCLYGCPSA-N 1 0 298.386 3.153 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)c1 ZINC000054218690 369499119 /nfs/dbraw/zinc/49/91/19/369499119.db2.gz OODAZHFXYDAPFA-UKRRQHHQSA-N 1 0 298.390 3.144 50 0 CGAARO CCc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)nc1 ZINC000055099009 369510542 /nfs/dbraw/zinc/51/05/42/369510542.db2.gz UWBLZLPMDZZIHB-INIZCTEOSA-N 1 0 298.430 3.275 50 0 CGAARO COc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055543422 369518654 /nfs/dbraw/zinc/51/86/54/369518654.db2.gz CHRKMONOOHNWHG-UHFFFAOYSA-N 1 0 282.387 3.017 50 0 CGAARO C[NH+](C)Cc1ccccc1NC(=O)Nc1ccccc1 ZINC000058010796 369553046 /nfs/dbraw/zinc/55/30/46/369553046.db2.gz PCYRYEWTOQFJIB-UHFFFAOYSA-N 1 0 269.348 3.392 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC000063666734 369647929 /nfs/dbraw/zinc/64/79/29/369647929.db2.gz WZRPNYJALYAAJI-CYBMUJFWSA-N 1 0 263.344 3.481 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCN[C@]23CCC[C@@H](C)C3)cc1 ZINC000064459872 369653130 /nfs/dbraw/zinc/65/31/30/369653130.db2.gz FRWYTSJFCDSONF-APWZRJJASA-N 1 0 299.462 3.425 50 0 biogenic CGAARO c1cc(-c2ccc(C[NH+]3CCCC3)cn2)cc2c1OCO2 ZINC000065491091 369679462 /nfs/dbraw/zinc/67/94/62/369679462.db2.gz LUGNTLWGFCEVPA-UHFFFAOYSA-N 1 0 282.343 3.073 50 0 CGAARO C[N@@H+](Cc1ccoc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000065525552 369680375 /nfs/dbraw/zinc/68/03/75/369680375.db2.gz PCUHKAOAHHRITK-OAHLLOKOSA-N 1 0 270.376 3.238 50 0 CGAARO CC(C)[N@@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067954816 369737248 /nfs/dbraw/zinc/73/72/48/369737248.db2.gz BTJIYDFFPIEMNP-UHFFFAOYSA-N 1 0 260.312 3.247 50 0 CGAARO [NH3+]C[C@@H]1Cc2cccc(-c3cncc4ccccc43)c2O1 ZINC000067948099 369737351 /nfs/dbraw/zinc/73/73/51/369737351.db2.gz HWZJSSNYKGBZAZ-AWEZNQCLSA-N 1 0 276.339 3.164 50 0 CGAARO Cc1ccc(-c2cc(C[NH2+][C@H](C)Cn3cccn3)on2)cc1 ZINC000069349926 369756753 /nfs/dbraw/zinc/75/67/53/369756753.db2.gz UASLHBYWZMJTBH-CQSZACIVSA-N 1 0 296.374 3.025 50 0 CGAARO CC(C)c1nc(CN[C@@H]2CCCc3c2cnn3C)cs1 ZINC000069420529 369759507 /nfs/dbraw/zinc/75/95/07/369759507.db2.gz CBRVZTCLKIFAIH-CYBMUJFWSA-N 1 0 290.436 3.167 50 0 CGAARO CSCc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)o1 ZINC000069521569 369762875 /nfs/dbraw/zinc/76/28/75/369762875.db2.gz GEZVVEXILAHPCS-VXGBXAGGSA-N 1 0 279.409 3.078 50 0 CGAARO CC(C)Oc1ccccc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000067673543 369724315 /nfs/dbraw/zinc/72/43/15/369724315.db2.gz MUHNMAVSZNNQFU-AWEZNQCLSA-N 1 0 283.371 3.403 50 0 CGAARO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000067723113 369725288 /nfs/dbraw/zinc/72/52/88/369725288.db2.gz VFVPUFKFNPLAKA-CYBMUJFWSA-N 1 0 284.359 3.061 50 0 CGAARO Cc1ccc(C[N@H+](C)CCC(C)(C)O)c(C)c1F ZINC000067689135 369725768 /nfs/dbraw/zinc/72/57/68/369725768.db2.gz UKNAPJOSGJOXFP-UHFFFAOYSA-N 1 0 253.361 3.035 50 0 CGAARO Cc1ccc2[nH]c(CCC[NH2+][C@H]3CCSC3)nc2c1C ZINC000067691425 369725987 /nfs/dbraw/zinc/72/59/87/369725987.db2.gz ZVCOUSKGODAPDC-ZDUSSCGKSA-N 1 0 289.448 3.207 50 0 CGAARO Cc1ccc(Cl)cc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067696834 369726430 /nfs/dbraw/zinc/72/64/30/369726430.db2.gz PMOZRPVUBIQHEU-AWEZNQCLSA-N 1 0 251.757 3.266 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)[C@@H]1CCc2cc3ccccc3nc21 ZINC000071771774 369810731 /nfs/dbraw/zinc/81/07/31/369810731.db2.gz AERLBXXSNSSCBZ-HOCLYGCPSA-N 1 0 284.403 3.014 50 0 CGAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cn1 ZINC000072440045 369820605 /nfs/dbraw/zinc/82/06/05/369820605.db2.gz RVCPMJGXZVHVCD-GOSISDBHSA-N 1 0 283.419 3.407 50 0 CGAARO c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)ccn1 ZINC000075831785 369919302 /nfs/dbraw/zinc/91/93/02/369919302.db2.gz AMLTVSDYDTTXLI-MRXNPFEDSA-N 1 0 260.381 3.005 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000084229413 370012160 /nfs/dbraw/zinc/01/21/60/370012160.db2.gz KSLIALVOQQRVSI-UHFFFAOYSA-N 1 0 256.349 3.031 50 0 CGAARO Cc1ncn(C[C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000089547602 370042117 /nfs/dbraw/zinc/04/21/17/370042117.db2.gz ZRDCOVYMMNXYMQ-CYBMUJFWSA-N 1 0 296.418 3.202 50 0 CGAARO CN(C)[C@@H](C[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000080237084 369985796 /nfs/dbraw/zinc/98/57/96/369985796.db2.gz SKBGWGOBMCVELY-INIZCTEOSA-N 1 0 289.810 3.128 50 0 CGAARO COc1ccccc1/C=C/C[N@H+](C)Cc1cccnc1 ZINC000097113585 370227210 /nfs/dbraw/zinc/22/72/10/370227210.db2.gz BFJIHVQCYVVXBT-RMKNXTFCSA-N 1 0 268.360 3.235 50 0 CGAARO COCc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000097113662 370227489 /nfs/dbraw/zinc/22/74/89/370227489.db2.gz ADPHFKJUEUQNHG-CQSZACIVSA-N 1 0 270.376 3.421 50 0 CGAARO C[C@@H](O)C[C@H](C)C[NH2+]Cc1sccc1Br ZINC000097378298 370240753 /nfs/dbraw/zinc/24/07/53/370240753.db2.gz GIWIMLQHMVPQJN-DTWKUNHWSA-N 1 0 292.242 3.007 50 0 CGAARO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000097463565 370242661 /nfs/dbraw/zinc/24/26/61/370242661.db2.gz JEEMTKLHFWOONM-ZDUSSCGKSA-N 1 0 295.814 3.206 50 0 CGAARO c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000097495323 370245407 /nfs/dbraw/zinc/24/54/07/370245407.db2.gz KVVWQZQDUGIQFY-UHFFFAOYSA-N 1 0 251.395 3.141 50 0 CGAARO C[NH+](C)Cc1ccccc1-c1cc(N2CCCCC2)ncn1 ZINC000097568771 370245712 /nfs/dbraw/zinc/24/57/12/370245712.db2.gz ZXRWWYCYBKDQDT-UHFFFAOYSA-N 1 0 296.418 3.196 50 0 CGAARO CC(=O)c1cc(C[N@@H+](C)C2CCSCC2)cs1 ZINC000097495161 370245829 /nfs/dbraw/zinc/24/58/29/370245829.db2.gz ACWQQVZAMSLPMV-UHFFFAOYSA-N 1 0 269.435 3.278 50 0 CGAARO O[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000095418543 370186514 /nfs/dbraw/zinc/18/65/14/370186514.db2.gz ILHBBIMBLCQLBY-SWLSCSKDSA-N 1 0 290.794 3.139 50 0 CGAARO Cc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccsc2)n1 ZINC000095421112 370188272 /nfs/dbraw/zinc/18/82/72/370188272.db2.gz IOVCOOQHVLJSDR-LBPRGKRZSA-N 1 0 289.404 3.131 50 0 CGAARO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095422698 370189984 /nfs/dbraw/zinc/18/99/84/370189984.db2.gz LAQSAGJMWRVONV-RYUDHWBXSA-N 1 0 280.437 3.437 50 0 CGAARO OCC[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000095434039 370192581 /nfs/dbraw/zinc/19/25/81/370192581.db2.gz IDUZIMCYFZTBPD-WBVHZDCISA-N 1 0 259.393 3.099 50 0 CGAARO Cc1csc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)n1 ZINC000095448926 370194937 /nfs/dbraw/zinc/19/49/37/370194937.db2.gz NGCOQFFIYIUFAS-MWLCHTKSSA-N 1 0 282.434 3.115 50 0 CGAARO Cc1csc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC000095448879 370195852 /nfs/dbraw/zinc/19/58/52/370195852.db2.gz KFOQVVLTIVLZPO-IINYFYTJSA-N 1 0 294.395 3.192 50 0 CGAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cnc(C)s1)CC2 ZINC000095973398 370203393 /nfs/dbraw/zinc/20/33/93/370203393.db2.gz LRLAFSZBCHRGMF-AWEZNQCLSA-N 1 0 288.416 3.107 50 0 CGAARO C[C@H](c1ccc(-c2ccncc2N)cc1)[NH+]1CCCC1 ZINC000096163278 370205728 /nfs/dbraw/zinc/20/57/28/370205728.db2.gz IGZOWVQOQPIRMO-CYBMUJFWSA-N 1 0 267.376 3.488 50 0 CGAARO CC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000136174691 371465414 /nfs/dbraw/zinc/46/54/14/371465414.db2.gz BZFGKXZYXDFJAZ-UHFFFAOYSA-N 1 0 294.826 3.091 50 0 CGAARO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)C1CCCCC1 ZINC000168140084 372606188 /nfs/dbraw/zinc/60/61/88/372606188.db2.gz CVGHJFOVFWSTAB-ZFWWWQNUSA-N 1 0 291.414 3.358 50 0 CGAARO CC1(C)C[C@H](O)CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000295251830 372718129 /nfs/dbraw/zinc/71/81/29/372718129.db2.gz QHQQQRAFCNEMJH-QDLOVBKTSA-N 1 0 277.383 3.322 50 0 CGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000299767899 373608924 /nfs/dbraw/zinc/60/89/24/373608924.db2.gz XTCCQMHZPXVQBY-AWEZNQCLSA-N 1 0 273.380 3.253 50 0 CGAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000299767900 373609428 /nfs/dbraw/zinc/60/94/28/373609428.db2.gz 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CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006542156 170211734 /nfs/dbraw/zinc/21/17/34/170211734.db2.gz RBIDXKYFWJTIMW-QGZVFWFLSA-N 1 0 285.387 3.126 50 0 CGAARO CCOc1ccccc1C[NH2+]CCc1ccc(OC)cc1 ZINC000006703809 170230534 /nfs/dbraw/zinc/23/05/34/170230534.db2.gz PHHNGOZHKZHXLD-UHFFFAOYSA-N 1 0 285.387 3.426 50 0 CGAARO Cc1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000006742415 170238234 /nfs/dbraw/zinc/23/82/34/170238234.db2.gz KHPIJEBTWKYXAH-UHFFFAOYSA-N 1 0 289.423 3.298 50 0 CGAARO Cc1ccccc1NC(=O)C[NH2+]C1CCCCCC1 ZINC000006868421 170251475 /nfs/dbraw/zinc/25/14/75/170251475.db2.gz XOCGOOWIGZPPCP-UHFFFAOYSA-N 1 0 260.381 3.246 50 0 CGAARO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1C ZINC000009344752 170373582 /nfs/dbraw/zinc/37/35/82/170373582.db2.gz SDRLCNCIHFFSBS-UHFFFAOYSA-N 1 0 263.364 3.482 50 0 CGAARO O=c1cc(C[NH2+]Cc2ccccc2)c2ccccc2[nH]1 ZINC000009479306 170378130 /nfs/dbraw/zinc/37/81/30/170378130.db2.gz OGXTXTYDUFKJNM-UHFFFAOYSA-N 1 0 264.328 3.230 50 0 CGAARO c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019301168 170773890 /nfs/dbraw/zinc/77/38/90/170773890.db2.gz YPUGLZQRXQQCSX-UHFFFAOYSA-N 1 0 266.388 3.004 50 0 in-vitro CGAARO COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000019720732 170842600 /nfs/dbraw/zinc/84/26/00/170842600.db2.gz PZBMCTWGSRKBPP-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(SC)cc2)CC1 ZINC000019842558 170890396 /nfs/dbraw/zinc/89/03/96/170890396.db2.gz FJCBWLTZZOTKPY-AWEZNQCLSA-N 1 0 278.465 3.325 50 0 CGAARO Clc1cc(Br)ccc1OCC[NH2+]C1CC1 ZINC000020524980 171237654 /nfs/dbraw/zinc/23/76/54/171237654.db2.gz HAQCFWJLOGUGEZ-UHFFFAOYSA-N 1 0 290.588 3.233 50 0 CGAARO CC(C)CC[C@H](CCN1CC[NH+](C)CC1)c1ccco1 ZINC000020590565 171260826 /nfs/dbraw/zinc/26/08/26/171260826.db2.gz IAMAURQGMSRGRQ-MRXNPFEDSA-N 1 0 278.440 3.437 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000023282493 171418479 /nfs/dbraw/zinc/41/84/79/171418479.db2.gz UIMYDXHOAZNLNB-AWEZNQCLSA-N 1 0 270.376 3.201 50 0 CGAARO C[C@H](Cc1ccco1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000035254688 172083945 /nfs/dbraw/zinc/08/39/45/172083945.db2.gz SLLVNOVCHGBKML-CQSZACIVSA-N 1 0 281.359 3.186 50 0 CGAARO Cc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)o1 ZINC000035287266 172105164 /nfs/dbraw/zinc/10/51/64/172105164.db2.gz KVBSUGHZVGAQMM-UHFFFAOYSA-N 1 0 269.348 3.187 50 0 CGAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000036099221 172439617 /nfs/dbraw/zinc/43/96/17/172439617.db2.gz QRJIYRZSSSAWNT-OAHLLOKOSA-N 1 0 299.480 3.382 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1Cl ZINC000038043584 174050877 /nfs/dbraw/zinc/05/08/77/174050877.db2.gz PNPBDHFNNWNTJN-NWDGAFQWSA-N 1 0 253.773 3.417 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccs1)c1cccs1 ZINC000038629255 174149790 /nfs/dbraw/zinc/14/97/90/174149790.db2.gz MBJURROMFCNLDU-JTQLQIEISA-N 1 0 295.433 3.234 50 0 CGAARO Cc1ccc([C@](O)(CC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000038632607 174150299 /nfs/dbraw/zinc/15/02/99/174150299.db2.gz LOJXVYLBLFSBBB-LJQANCHMSA-N 1 0 296.414 3.112 50 0 CGAARO COc1cccc2cc(C[NH2+]C[C@@H](O)c3ccccc3)oc21 ZINC000040464604 174274013 /nfs/dbraw/zinc/27/40/13/174274013.db2.gz RWLDQKWNMOJCNA-MRXNPFEDSA-N 1 0 297.354 3.265 50 0 CGAARO CCC[C@@H](C)C(=O)NCCCCCCC[NH+](C)C ZINC000069416652 175828348 /nfs/dbraw/zinc/82/83/48/175828348.db2.gz KCVHCZXVUWHTEG-CQSZACIVSA-N 1 0 256.434 3.051 50 0 CGAARO CCC[NH+](CCC)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000071797367 176264900 /nfs/dbraw/zinc/26/49/00/176264900.db2.gz ZKEYHFITTCBPMG-QGZVFWFLSA-N 1 0 293.451 3.474 50 0 CGAARO Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000071798803 176265551 /nfs/dbraw/zinc/26/55/51/176265551.db2.gz YLIHBOORJLJRIF-OAHLLOKOSA-N 1 0 292.386 3.427 50 0 CGAARO O=C(c1cc2ccccc2o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071821539 176270836 /nfs/dbraw/zinc/27/08/36/176270836.db2.gz UGXSPJFBLBJSPU-HNNXBMFYSA-N 1 0 298.386 3.133 50 0 CGAARO C[C@H](C1CC1)[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000071856516 176278504 /nfs/dbraw/zinc/27/85/04/176278504.db2.gz HAMUDUVFCGIMRM-YJYMSZOUSA-N 1 0 277.433 3.057 50 0 CGAARO Cc1cc(C)n(C[C@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)n1 ZINC000071876097 176286042 /nfs/dbraw/zinc/28/60/42/176286042.db2.gz YGPOTJIDBWROFQ-DOTOQJQBSA-N 1 0 284.407 3.121 50 0 CGAARO Clc1ccccc1OC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072153629 176328019 /nfs/dbraw/zinc/32/80/19/176328019.db2.gz RXVRUUPEBZTWOC-ZDUSSCGKSA-N 1 0 295.810 3.220 50 0 CGAARO Fc1ccc(CC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000072158759 176329479 /nfs/dbraw/zinc/32/94/79/176329479.db2.gz DTYNLAXJGGGAOI-MRXNPFEDSA-N 1 0 277.383 3.117 50 0 CGAARO CS[C@H](C)CC[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072162788 176330575 /nfs/dbraw/zinc/33/05/75/176330575.db2.gz ATHHEAUNLXEJJQ-CQSZACIVSA-N 1 0 294.464 3.204 50 0 CGAARO CCNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000072289609 176361385 /nfs/dbraw/zinc/36/13/85/176361385.db2.gz ITPFJMHKZSRBNH-HOCLYGCPSA-N 1 0 291.439 3.071 50 0 CGAARO CC(C)[N@H+](Cc1cccc(F)c1F)C1CCOCC1 ZINC000077323721 177253250 /nfs/dbraw/zinc/25/32/50/177253250.db2.gz WZJNSGVXZHAMOH-UHFFFAOYSA-N 1 0 269.335 3.354 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc1O ZINC000657864700 419395217 /nfs/dbraw/zinc/39/52/17/419395217.db2.gz PBHXCOXLJOAXNZ-SECBINFHSA-N 1 0 273.323 3.170 50 0 CGAARO COc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688764 260114689 /nfs/dbraw/zinc/11/46/89/260114689.db2.gz LACQLKYZMSEMTM-KRWDZBQOSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO C[NH+](C)[C@@H](CNc1ncnc2ccccc21)c1ccsc1 ZINC000032803908 260146145 /nfs/dbraw/zinc/14/61/45/260146145.db2.gz MCRORFFEFURPJP-HNNXBMFYSA-N 1 0 298.415 3.406 50 0 CGAARO CC(C)(C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576932 260188581 /nfs/dbraw/zinc/18/85/81/260188581.db2.gz IBXCYMKMCOFRCO-UHFFFAOYSA-N 1 0 260.150 3.476 50 0 CGAARO CO[C@H](C[NH2+]CC1(C)CCOCC1)c1ccccc1Cl ZINC000097113565 274077522 /nfs/dbraw/zinc/07/75/22/274077522.db2.gz YKXWFTVUPVNUDZ-OAHLLOKOSA-N 1 0 297.826 3.434 50 0 CGAARO CC[NH+]1CCC(N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000004022939 276149874 /nfs/dbraw/zinc/14/98/74/276149874.db2.gz MCSMIHDZYAGZDX-HOCLYGCPSA-N 1 0 250.430 3.125 50 0 CGAARO CC(C)(C)OC(=O)N1CCC(C2CCC([NH3+])CC2)CC1 ZINC000002391763 277180332 /nfs/dbraw/zinc/18/03/32/277180332.db2.gz OPQZFWVHLRUEIY-UHFFFAOYSA-N 1 0 282.428 3.151 50 0 CGAARO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000242191331 277974743 /nfs/dbraw/zinc/97/47/43/277974743.db2.gz XERNCVDIKZLSCU-OQMKEHIESA-N 1 0 291.391 3.064 50 0 CGAARO CSC1(C[NH2+][C@H](C)c2ccsc2)CCOCC1 ZINC000090113846 278126142 /nfs/dbraw/zinc/12/61/42/278126142.db2.gz HDPLEFOHXYLJBA-LLVKDONJSA-N 1 0 271.451 3.311 50 0 CGAARO C[C@@H]([C@@H](O)c1cccc2c1CCCC2)[NH+]1CCCCC1 ZINC000001278199 278409887 /nfs/dbraw/zinc/40/98/87/278409887.db2.gz AJNWUQVKWIOTNU-KBXCAEBGSA-N 1 0 273.420 3.473 50 0 CGAARO Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)c2ccccc2[nH+]1 ZINC000071760319 278712515 /nfs/dbraw/zinc/71/25/15/278712515.db2.gz PQYUQTYBHKHKAT-CQSZACIVSA-N 1 0 296.292 3.311 50 0 CGAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nn1C ZINC000426528124 302537264 /nfs/dbraw/zinc/53/72/64/302537264.db2.gz WJBSZFBTJNJEAZ-ZDUSSCGKSA-N 1 0 284.407 3.337 50 0 CGAARO CCc1nccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000252510271 328106017 /nfs/dbraw/zinc/10/60/17/328106017.db2.gz ZFWAUHYETWVQGK-MRXNPFEDSA-N 1 0 299.418 3.291 50 0 CGAARO CCCc1nc(C[NH2+][C@@H](C)Cn2ccnc2CC)cs1 ZINC000534644180 328330052 /nfs/dbraw/zinc/33/00/52/328330052.db2.gz OETDGNJGLKWDBK-LBPRGKRZSA-N 1 0 292.452 3.033 50 0 CGAARO COc1ccnc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n1 ZINC000534639139 328334882 /nfs/dbraw/zinc/33/48/82/328334882.db2.gz ADGBHLAKJMOIJT-ZDUSSCGKSA-N 1 0 283.375 3.309 50 0 CGAARO Cc1ccc(-c2ccnc(-c3cccc(C[NH3+])c3)n2)c(C)n1 ZINC000071589507 327104632 /nfs/dbraw/zinc/10/46/32/327104632.db2.gz HITKSTQOFZQGKH-UHFFFAOYSA-N 1 0 290.370 3.281 50 0 CGAARO CC[NH+]1CCC(N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000002499062 333046466 /nfs/dbraw/zinc/04/64/66/333046466.db2.gz MCSMIHDZYAGZDX-GOEBONIOSA-N 1 0 250.430 3.125 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1-n1cccn1 ZINC000188573599 533881377 /nfs/dbraw/zinc/88/13/77/533881377.db2.gz PPNIDRFTOQEJNF-GJZGRUSLSA-N 1 0 283.375 3.216 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1-n1cccn1 ZINC000188573644 533904991 /nfs/dbraw/zinc/90/49/91/533904991.db2.gz PPNIDRFTOQEJNF-LSDHHAIUSA-N 1 0 283.375 3.216 50 0 CGAARO COC(=O)CCCCCCCC[C@H](O)C[NH+]1CCCCC1 ZINC000004310768 522983983 /nfs/dbraw/zinc/98/39/83/522983983.db2.gz POKFWCMCOYWRBE-INIZCTEOSA-N 1 0 299.455 3.127 50 0 CGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@H](C)c1ccccc1)CC2 ZINC000194338643 528475682 /nfs/dbraw/zinc/47/56/82/528475682.db2.gz NKAQSTVHNFSUAO-HOCLYGCPSA-N 1 0 298.434 3.110 50 0 CGAARO CCCC[NH2+]Cc1c(C(=O)OCC)oc2cccc(O)c21 ZINC000020267261 528552433 /nfs/dbraw/zinc/55/24/33/528552433.db2.gz CMHXBRRCEJOITA-UHFFFAOYSA-N 1 0 291.347 3.205 50 0 CGAARO CCCCn1ccnc1C1CCN(c2cc[nH+]c(N)c2)CC1 ZINC000091808487 535153120 /nfs/dbraw/zinc/15/31/20/535153120.db2.gz WWCOIYXNIHPRMR-UHFFFAOYSA-N 1 0 299.422 3.044 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)O[C@H](C)c1ccccc1 ZINC000088273468 570347691 /nfs/dbraw/zinc/34/76/91/570347691.db2.gz KJBFUDJEXGJBFY-KGLIPLIRSA-N 1 0 263.381 3.302 50 0 CGAARO CCc1nc(C)c(C[NH2+]CCCn2ccc3ccccc32)[nH]1 ZINC000952983804 615737365 /nfs/dbraw/zinc/73/73/65/615737365.db2.gz RKJRYCJTLSNYPS-UHFFFAOYSA-N 1 0 296.418 3.415 50 0 CGAARO C[N@H+](CCc1ccccn1)C1C2CC3CC(C2)CC1C3 ZINC000004981378 619226368 /nfs/dbraw/zinc/22/63/68/619226368.db2.gz GRDGWIWUFGRMBS-UHFFFAOYSA-N 1 0 270.420 3.381 50 0 CGAARO C[C@H]([NH2+]CCCNc1ccccc1)[C@@H]1CC1(F)F ZINC000888098874 619260533 /nfs/dbraw/zinc/26/05/33/619260533.db2.gz PVPGTQGWIVKLJY-AAEUAGOBSA-N 1 0 254.324 3.122 50 0 CGAARO CC(C)c1cccc(-c2cccc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067489945 620022450 /nfs/dbraw/zinc/02/24/50/620022450.db2.gz UWTKPMFJKVNSDJ-CYBMUJFWSA-N 1 0 268.360 3.134 50 0 CGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C1CCCC1 ZINC000011841725 625963449 /nfs/dbraw/zinc/96/34/49/625963449.db2.gz JNMLTRBNHSULAY-GFCCVEGCSA-N 1 0 282.391 3.440 50 0 CGAARO O=C1CC[C@@H]([NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000012161727 625990905 /nfs/dbraw/zinc/99/09/05/625990905.db2.gz QYJKRWSCIKREGF-QGZVFWFLSA-N 1 0 286.419 3.054 50 0 CGAARO CNc1nc(NCCn2c(C)cc3ccccc32)cc(C)[nH+]1 ZINC000952970580 636775843 /nfs/dbraw/zinc/77/58/43/636775843.db2.gz WBXVVTIZSZSDSX-UHFFFAOYSA-N 1 0 295.390 3.202 50 0 CGAARO CC[NH+]1CCN(c2cc(C)c3cc4c(cc3n2)CCC4)CC1 ZINC000023634095 798838343 /nfs/dbraw/zinc/83/83/43/798838343.db2.gz XZCDGRVKYPUUNE-UHFFFAOYSA-N 1 0 295.430 3.174 50 0 CGAARO CNC(=O)c1ccccc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000426612518 799605712 /nfs/dbraw/zinc/60/57/12/799605712.db2.gz FDGLQPSMZDMPSP-ZDUSSCGKSA-N 1 0 282.387 3.336 50 0 CGAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)C2CCC2)CC1 ZINC000581788287 799674646 /nfs/dbraw/zinc/67/46/46/799674646.db2.gz ZQHPBRMFFGDRNI-KRWDZBQOSA-N 1 0 292.467 3.290 50 0 CGAARO Cc1cc2cc(NC(=O)[C@H]3CCC[N@@H+](C)C3)ccc2o1 ZINC000823770333 800468955 /nfs/dbraw/zinc/46/89/55/800468955.db2.gz YRQDRWCMCBAESV-LBPRGKRZSA-N 1 0 272.348 3.022 50 0 CGAARO Cc1cc(C)c(C[NH+]2CCSCC2)c(-n2cccn2)c1 ZINC000825124570 800473856 /nfs/dbraw/zinc/47/38/56/800473856.db2.gz VLUWEJDQYSWALW-UHFFFAOYSA-N 1 0 287.432 3.038 50 0 CGAARO CCn1ccc2ccc(C[N@H+](CC)[C@@H](C)CCO)cc21 ZINC000952869123 800684855 /nfs/dbraw/zinc/68/48/55/800684855.db2.gz XOGPLAKFOHULEO-AWEZNQCLSA-N 1 0 274.408 3.254 50 0 CGAARO COC(=O)C(C)(C)[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000952884372 800687297 /nfs/dbraw/zinc/68/72/97/800687297.db2.gz ZJAZPCMCWWSXRU-UONOGXRCSA-N 1 0 293.432 3.022 50 0 CGAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000409420850 932025876 /nfs/dbraw/zinc/02/58/76/932025876.db2.gz VKHNVXNFMLRSID-QGZVFWFLSA-N 1 0 297.402 3.286 50 0 CGAARO c1ccc(SCC[NH2+]C2CSCCSC2)cc1 ZINC001506399158 937989589 /nfs/dbraw/zinc/98/95/89/937989589.db2.gz KHLSQNMTWLBOPP-UHFFFAOYSA-N 1 0 285.503 3.217 50 0 CGAARO CC(C)N(C)C[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001506402391 937989706 /nfs/dbraw/zinc/98/97/06/937989706.db2.gz XVXXAKMKIIJEDK-CYBMUJFWSA-N 1 0 268.832 3.201 50 0 CGAARO Cc1nc(N2CCC([C@@H](C)[NH+](C)C)CC2)ccc1Cl ZINC001506419266 937989788 /nfs/dbraw/zinc/98/97/88/937989788.db2.gz YLSUFAWAUFLHAM-GFCCVEGCSA-N 1 0 281.831 3.210 50 0 CGAARO COc1ccc2c(C)cc(N[C@@H]3CCC[N@H+](C)C3)nc2c1 ZINC001506418438 937989899 /nfs/dbraw/zinc/98/98/99/937989899.db2.gz YEZQSAAMDMWISC-CYBMUJFWSA-N 1 0 285.391 3.058 50 0 CGAARO Cc1nnc(N(C)C[C@H]2CC[N@H+](C)C2(C)C)c2ccccc12 ZINC001506406629 937989981 /nfs/dbraw/zinc/98/99/81/937989981.db2.gz MFBCLMGLFUMTDC-CQSZACIVSA-N 1 0 298.434 3.105 50 0 CGAARO CC[N@H+](CCOc1c(C)cccc1C)Cc1cnc(C)cn1 ZINC001529173688 938071464 /nfs/dbraw/zinc/07/14/64/938071464.db2.gz PFGWNAKMZFCNQO-UHFFFAOYSA-N 1 0 299.418 3.303 50 0 CGAARO Nc1cc[nH+]cc1-c1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000032519466 957821363 /nfs/dbraw/zinc/82/13/63/957821363.db2.gz YURWAIYKYLDMFJ-UHFFFAOYSA-N 1 0 277.327 3.331 50 0 CGAARO [NH3+][C@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000095707590 185017933 /nfs/dbraw/zinc/01/79/33/185017933.db2.gz DSZKDNIUEMPRKJ-KRWDZBQOSA-N 1 0 278.399 3.199 50 0 CGAARO COCC/C=C/C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000095918100 185030575 /nfs/dbraw/zinc/03/05/75/185030575.db2.gz ULKOZWSXCWKVHA-ZZXKWVIFSA-N 1 0 257.377 3.368 50 0 CGAARO C[N@H+](CCC(C)(C)O)Cc1cccc2ccccc21 ZINC000095962984 185044806 /nfs/dbraw/zinc/04/48/06/185044806.db2.gz JSNZQEXIXRWMDS-UHFFFAOYSA-N 1 0 257.377 3.433 50 0 CGAARO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968197 185046762 /nfs/dbraw/zinc/04/67/62/185046762.db2.gz AVEFFXMGLNOKQZ-CHWSQXEVSA-N 1 0 292.448 3.216 50 0 CGAARO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969289 185047977 /nfs/dbraw/zinc/04/79/77/185047977.db2.gz JXVOGVSWFKZSQG-HIFRSBDPSA-N 1 0 289.375 3.279 50 0 CGAARO c1c[nH]c(C[NH2+][C@H](CC2CCC2)c2ccccc2)n1 ZINC000095994173 185059070 /nfs/dbraw/zinc/05/90/70/185059070.db2.gz CHXQJRNXCBJECS-OAHLLOKOSA-N 1 0 255.365 3.431 50 0 CGAARO COc1cccc(Cc2cnc([C@@H]3CCCC[NH2+]3)o2)c1 ZINC000096032186 185067585 /nfs/dbraw/zinc/06/75/85/185067585.db2.gz WCGSUMAQJPCBNY-HNNXBMFYSA-N 1 0 272.348 3.089 50 0 CGAARO Clc1cccc(Cc2cnc([C@H]3CCC[NH2+]C3)o2)c1 ZINC000096032183 185067675 /nfs/dbraw/zinc/06/76/75/185067675.db2.gz WIEBQJWKADOABN-LBPRGKRZSA-N 1 0 276.767 3.386 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)s1 ZINC000097022846 185153498 /nfs/dbraw/zinc/15/34/98/185153498.db2.gz YPNKGURDQRSSJX-JOYOIKCWSA-N 1 0 296.461 3.423 50 0 CGAARO Fc1ccccc1N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000004981227 344860319 /nfs/dbraw/zinc/86/03/19/344860319.db2.gz LVHBFBIVDRQPEP-UHFFFAOYSA-N 1 0 296.389 3.115 50 0 CGAARO C[NH+](C)C[C@H](Cc1ccccc1)OCc1ccccc1 ZINC000006792003 344866285 /nfs/dbraw/zinc/86/62/85/344866285.db2.gz WRDPUTZTYUMCIK-SFHVURJKSA-N 1 0 269.388 3.376 50 0 CGAARO C[C@@H](Cc1ccccc1F)[N@H+](CCO)Cc1ccccc1 ZINC000023280243 344897895 /nfs/dbraw/zinc/89/78/95/344897895.db2.gz NDAPQZCPDGDFMJ-HNNXBMFYSA-N 1 0 287.378 3.251 50 0 CGAARO Clc1cc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)ccn1 ZINC000075109043 345495308 /nfs/dbraw/zinc/49/53/08/345495308.db2.gz HWCKTTLPUILFQT-STQMWFEESA-N 1 0 250.773 3.500 50 0 CGAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000075108076 345495584 /nfs/dbraw/zinc/49/55/84/345495584.db2.gz QSMKHNGGBOSIAN-UHFFFAOYSA-N 1 0 283.799 3.407 50 0 CGAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000092071990 345829825 /nfs/dbraw/zinc/82/98/25/345829825.db2.gz XUNOKTLHDXZNTA-LBPRGKRZSA-N 1 0 261.394 3.159 50 0 CGAARO CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000093335564 345875413 /nfs/dbraw/zinc/87/54/13/345875413.db2.gz JZSXFZUEZGOIJB-OAHLLOKOSA-N 1 0 273.355 3.032 50 0 CGAARO CC(C)[NH2+]CCCNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000095629787 345900343 /nfs/dbraw/zinc/90/03/43/345900343.db2.gz HIJPMWUOIRNKIY-UHFFFAOYSA-N 1 0 291.439 3.494 50 0 CGAARO CCCC[NH2+]C[C@H]1COc2c(C)c(C)cc(C)c2C1=O ZINC000096026853 345902082 /nfs/dbraw/zinc/90/20/82/345902082.db2.gz FOORIMSLULQDKO-AWEZNQCLSA-N 1 0 275.392 3.193 50 0 CGAARO CCn1nccc1C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000097232849 345907475 /nfs/dbraw/zinc/90/74/75/345907475.db2.gz SYNLOLVJHVLTEY-HNNXBMFYSA-N 1 0 289.354 3.046 50 0 CGAARO Cc1nnc(C[NH2+][C@H](Cc2ccccc2)C(C)(C)C)o1 ZINC000097230882 345907554 /nfs/dbraw/zinc/90/75/54/345907554.db2.gz HNVBORFATBEOBX-CQSZACIVSA-N 1 0 273.380 3.125 50 0 CGAARO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@H]4CCOC4)C3)nc2c1 ZINC000110705852 345946248 /nfs/dbraw/zinc/94/62/48/345946248.db2.gz GDFYCQMYZHBYKK-CABCVRRESA-N 1 0 299.418 3.087 50 0 CGAARO c1ccc(C[N@@H+]2CC[C@H]3Nc4ccccc4[C@@H]3C2)cc1 ZINC000137857324 346094563 /nfs/dbraw/zinc/09/45/63/346094563.db2.gz DAFWBWMYCWYNEC-FUHWJXTLSA-N 1 0 264.372 3.470 50 0 CGAARO C[C@]1(CO)CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000170089227 346193649 /nfs/dbraw/zinc/19/36/49/346193649.db2.gz ITIDMRAORKYCAE-CQSZACIVSA-N 1 0 253.773 3.077 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1 ZINC000249626743 346382783 /nfs/dbraw/zinc/38/27/83/346382783.db2.gz UELHZBBJIYDFML-IAOVAPTHSA-N 1 0 285.391 3.423 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@@H](C)CCO ZINC000584899760 346723168 /nfs/dbraw/zinc/72/31/68/346723168.db2.gz ZCKQKHBPXSZWKR-JTQLQIEISA-N 1 0 280.799 3.033 50 0 CGAARO CCSC[C@@H](C)[NH2+]CCc1nc2ccccc2o1 ZINC000584900620 346723532 /nfs/dbraw/zinc/72/35/32/346723532.db2.gz QUAXSJFVXDGRNR-LLVKDONJSA-N 1 0 264.394 3.102 50 0 CGAARO Clc1cccc(-c2cc(C[NH2+]C3CCOCC3)on2)c1 ZINC000584900427 346723637 /nfs/dbraw/zinc/72/36/37/346723637.db2.gz MUMXKUCZUBHHHW-UHFFFAOYSA-N 1 0 292.766 3.264 50 0 CGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000086279325 179262878 /nfs/dbraw/zinc/26/28/78/179262878.db2.gz ZRMAPVGTFLDUOE-AWEZNQCLSA-N 1 0 294.402 3.370 50 0 CGAARO CCOC(=O)[C@@H]1CCC[C@@H]1[N@H+](CC)Cc1ccccc1 ZINC000601013371 347851819 /nfs/dbraw/zinc/85/18/19/347851819.db2.gz JNHSEKJNCOZQBT-CVEARBPZSA-N 1 0 275.392 3.240 50 0 CGAARO c1ccc(C[N@@H+]2CC[C@H](Nc3cc(C4CC4)ncn3)C2)cc1 ZINC000091643294 180213774 /nfs/dbraw/zinc/21/37/74/180213774.db2.gz QDVAPGXTIOBRSW-INIZCTEOSA-N 1 0 294.402 3.040 50 0 CGAARO COCCC[C@]1(CO)CCC[N@H+](Cc2sccc2C)C1 ZINC000091950673 180291269 /nfs/dbraw/zinc/29/12/69/180291269.db2.gz RTHGQSULGIUOKX-MRXNPFEDSA-N 1 0 297.464 3.058 50 0 CGAARO COCCCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000107145256 186160561 /nfs/dbraw/zinc/16/05/61/186160561.db2.gz GCOGCFAGBBKAFP-UONOGXRCSA-N 1 0 251.370 3.479 50 0 CGAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000108171911 186208432 /nfs/dbraw/zinc/20/84/32/186208432.db2.gz CRWLTUUPDJMNGS-PMPSAXMXSA-N 1 0 288.435 3.027 50 0 CGAARO Fc1ccc2c(c1)nc(C1CCC1)n2C1CC[NH2+]CC1 ZINC000299764614 283007736 /nfs/dbraw/zinc/00/77/36/283007736.db2.gz BLDVIOAYGSUMOK-UHFFFAOYSA-N 1 0 273.355 3.367 50 0 CGAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000183575695 189362949 /nfs/dbraw/zinc/36/29/49/189362949.db2.gz PRXUGYOXYCNHSL-SUHUHFCYSA-N 1 0 295.835 3.404 50 0 CGAARO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000183575673 189362985 /nfs/dbraw/zinc/36/29/85/189362985.db2.gz PRXUGYOXYCNHSL-ZKYQVNSYSA-N 1 0 295.835 3.404 50 0 CGAARO c1ccc(-c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)nc1 ZINC000275705904 193110217 /nfs/dbraw/zinc/11/02/17/193110217.db2.gz QYDLSGVMLWLGHY-CQSZACIVSA-N 1 0 284.363 3.211 50 0 CGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000015860006 283970499 /nfs/dbraw/zinc/97/04/99/283970499.db2.gz QWVYNHXKTAGKAO-INIZCTEOSA-N 1 0 298.386 3.237 50 0 CGAARO C[C@H](CCCC(C)(C)O)[NH2+]C1Cc2ccccc2C1 ZINC000000221252 368318343 /nfs/dbraw/zinc/31/83/43/368318343.db2.gz MWSWVLXPCGNKDB-CYBMUJFWSA-N 1 0 261.409 3.073 50 0 CGAARO CCc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000000247113 368324753 /nfs/dbraw/zinc/32/47/53/368324753.db2.gz GJVIMCJDEOXJHI-UHFFFAOYSA-N 1 0 254.377 3.319 50 0 CGAARO CCc1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000000002269 368269231 /nfs/dbraw/zinc/26/92/31/368269231.db2.gz SSEBTPPFLLCUMN-ZDUSSCGKSA-N 1 0 261.365 3.417 50 0 investigational CGAARO C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1 ZINC000000001857 368269647 /nfs/dbraw/zinc/26/96/47/368269647.db2.gz FBJHSTREJLPCAT-UHFFFAOYSA-N 1 0 295.386 3.396 50 0 in-man CGAARO CCOC(=O)C1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000000238444 368321903 /nfs/dbraw/zinc/32/19/03/368321903.db2.gz GHDSWRNVQQPRJN-UHFFFAOYSA-N 1 0 293.432 3.184 50 0 CGAARO [NH3+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000053230 368278092 /nfs/dbraw/zinc/27/80/92/368278092.db2.gz NEBLOWDPQKVZJW-UHFFFAOYSA-N 1 0 282.170 3.188 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000000241031 368323330 /nfs/dbraw/zinc/32/33/30/368323330.db2.gz OGTUGMNLNCGVAM-INIZCTEOSA-N 1 0 275.392 3.079 50 0 CGAARO C[NH+](C)Cc1ccccc1Sc1ccc(O)cc1O ZINC000000347485 368345466 /nfs/dbraw/zinc/34/54/66/368345466.db2.gz XGVORBBXGSPMOG-UHFFFAOYSA-N 1 0 275.373 3.311 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000002655105 368473125 /nfs/dbraw/zinc/47/31/25/368473125.db2.gz BZBCTFBZRKVQGN-QGZVFWFLSA-N 1 0 291.435 3.437 50 0 CGAARO CCCC[C@H](CC)[C@H]1OC[C@H](C[NH+]2CCCC2)O1 ZINC000002330477 368452075 /nfs/dbraw/zinc/45/20/75/368452075.db2.gz YGCPCVLTZNXDDJ-KKUMJFAQSA-N 1 0 255.402 3.040 50 0 CGAARO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000002451813 368456316 /nfs/dbraw/zinc/45/63/16/368456316.db2.gz QZSYUWQELBNZEE-HLLBOEOZSA-N 1 0 291.435 3.021 50 0 CGAARO CCCC[N@H+](C)C1CCN(CCc2ccccc2)CC1 ZINC000002494470 368456985 /nfs/dbraw/zinc/45/69/85/368456985.db2.gz AAZHFZSDKNSRIJ-UHFFFAOYSA-N 1 0 274.452 3.425 50 0 CGAARO O=C(c1cccs1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000002782685 368478452 /nfs/dbraw/zinc/47/84/52/368478452.db2.gz MWBJQPFRDPLGPR-UHFFFAOYSA-N 1 0 292.448 3.229 50 0 CGAARO CCOc1cccc(OCCC[NH2+][C@@H](C)CC)c1 ZINC000002825259 368481150 /nfs/dbraw/zinc/48/11/50/368481150.db2.gz SAECCNAVNCOGKF-ZDUSSCGKSA-N 1 0 251.370 3.242 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000004981239 368560255 /nfs/dbraw/zinc/56/02/55/368560255.db2.gz MEPQVZPPPLLVQK-HOTGVXAUSA-N 1 0 288.435 3.396 50 0 CGAARO CCN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000485706955 243339501 /nfs/dbraw/zinc/33/95/01/243339501.db2.gz COJLNSQIILKRSS-HNNXBMFYSA-N 1 0 284.806 3.443 50 0 CGAARO CC1(C)CC(NC(=O)CCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000004410401 368545840 /nfs/dbraw/zinc/54/58/40/368545840.db2.gz DZHWKQCFHVYOAM-UHFFFAOYSA-N 1 0 288.435 3.045 50 0 CGAARO COc1ccc(C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000012113919 368603806 /nfs/dbraw/zinc/60/38/06/368603806.db2.gz BEEHBTWUOVPSEL-UHFFFAOYSA-N 1 0 282.387 3.470 50 0 CGAARO CCC(CC)C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012126335 368604210 /nfs/dbraw/zinc/60/42/10/368604210.db2.gz BVPALQAPWKBJOM-UHFFFAOYSA-N 1 0 298.434 3.239 50 0 CGAARO C/C(=C\c1ccccc1)C[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000012387570 368612181 /nfs/dbraw/zinc/61/21/81/368612181.db2.gz HBPRDZOYFQBUTM-XAVZPLJISA-N 1 0 298.430 3.034 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012629149 368622135 /nfs/dbraw/zinc/62/21/35/368622135.db2.gz JTNOIRPQGRRXOZ-UHFFFAOYSA-N 1 0 266.388 3.317 50 0 CGAARO c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012629325 368623026 /nfs/dbraw/zinc/62/30/26/368623026.db2.gz VEJWDLHOLWGRLH-UHFFFAOYSA-N 1 0 252.361 3.009 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000013323252 368649423 /nfs/dbraw/zinc/64/94/23/368649423.db2.gz KEFXBPLHMAAJIL-UHFFFAOYSA-N 1 0 260.381 3.198 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000016603945 368717339 /nfs/dbraw/zinc/71/73/39/368717339.db2.gz ZPUUWNMZJBCXOJ-UHFFFAOYSA-N 1 0 296.414 3.444 50 0 CGAARO COc1ccccc1C[NH2+]CCc1ccc(F)cc1 ZINC000019720458 368759907 /nfs/dbraw/zinc/75/99/07/368759907.db2.gz WNKZJDVIRPJSLD-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO O=C(CCC1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019789493 368765842 /nfs/dbraw/zinc/76/58/42/368765842.db2.gz RLKPYWIBOZPCRV-UHFFFAOYSA-N 1 0 292.467 3.434 50 0 CGAARO c1cncc(COc2ccc(C3=CC[NH2+]CC3)cc2)c1 ZINC000019275252 368747072 /nfs/dbraw/zinc/74/70/72/368747072.db2.gz WMKTXUSVJMZLEJ-UHFFFAOYSA-N 1 0 266.344 3.037 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000019367879 368749857 /nfs/dbraw/zinc/74/98/57/368749857.db2.gz YCCVMIQTRAEXRV-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO Cc1nc2c(cc(OCC[NH3+])c3ccsc32)s1 ZINC000019486540 368754063 /nfs/dbraw/zinc/75/40/63/368754063.db2.gz BAGIVGWNCITZHB-UHFFFAOYSA-N 1 0 264.375 3.157 50 0 CGAARO Cc1ccsc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019537246 368756143 /nfs/dbraw/zinc/75/61/43/368756143.db2.gz IYYQXIQUQLNKRB-UHFFFAOYSA-N 1 0 286.444 3.374 50 0 CGAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000023280639 368818588 /nfs/dbraw/zinc/81/85/88/368818588.db2.gz HEVGFXXEGDLDCR-SFHVURJKSA-N 1 0 297.398 3.222 50 0 CGAARO COC[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000019904671 368779302 /nfs/dbraw/zinc/77/93/02/368779302.db2.gz KPLLOIJIJGFZDU-VHSXEESVSA-N 1 0 272.186 3.135 50 0 CGAARO CC(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027749505 368875645 /nfs/dbraw/zinc/87/56/45/368875645.db2.gz DSLKJQXCCKEZNS-CQSZACIVSA-N 1 0 294.464 3.437 50 0 CGAARO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000035132990 369001083 /nfs/dbraw/zinc/00/10/83/369001083.db2.gz XZTGJURVSDNVEA-CYBMUJFWSA-N 1 0 270.376 3.015 50 0 CGAARO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000036396571 369021219 /nfs/dbraw/zinc/02/12/19/369021219.db2.gz DTDXSQVVORIFMG-LBPRGKRZSA-N 1 0 290.794 3.232 50 0 CGAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccncc1 ZINC000037089780 369062084 /nfs/dbraw/zinc/06/20/84/369062084.db2.gz XJEWDZRSZAEEBZ-LLVKDONJSA-N 1 0 260.312 3.080 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(F)c(Cl)c1 ZINC000037157026 369072953 /nfs/dbraw/zinc/07/29/53/369072953.db2.gz GBXPNBYOJDOGAV-WDEREUQCSA-N 1 0 281.762 3.415 50 0 CGAARO c1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n[nH]1 ZINC000041014614 369169229 /nfs/dbraw/zinc/16/92/29/369169229.db2.gz DQGBSTMRVHDCHZ-SFHVURJKSA-N 1 0 277.371 3.483 50 0 CGAARO Cc1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770629 369230579 /nfs/dbraw/zinc/23/05/79/369230579.db2.gz PSDYERAKTFUBMQ-LBPRGKRZSA-N 1 0 253.773 3.417 50 0 CGAARO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCCC2)cc1 ZINC000052169284 369465970 /nfs/dbraw/zinc/46/59/70/369465970.db2.gz CCLKRZAGTUNMTF-UHFFFAOYSA-N 1 0 288.435 3.335 50 0 CGAARO CC[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000057476742 369539503 /nfs/dbraw/zinc/53/95/03/369539503.db2.gz FCLAAKQIHWIKQY-WFVVYAPDSA-N 1 0 287.403 3.349 50 0 CGAARO COc1cccc(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000055142184 369511843 /nfs/dbraw/zinc/51/18/43/369511843.db2.gz MEYNMYJDYDKXIZ-UHFFFAOYSA-N 1 0 288.416 3.079 50 0 CGAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1cccc(Cl)c1 ZINC000055921736 369523528 /nfs/dbraw/zinc/52/35/28/369523528.db2.gz MNBJTYVHJGDHCE-UHFFFAOYSA-N 1 0 277.799 3.484 50 0 CGAARO O=C(C[NH+]1CCCCCCC1)N1CCCc2ccccc21 ZINC000058875312 369576890 /nfs/dbraw/zinc/57/68/90/369576890.db2.gz SQGXLRIBVKAPCH-UHFFFAOYSA-N 1 0 286.419 3.232 50 0 CGAARO C[NH+](C)C(C)(C)CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000061499068 369600761 /nfs/dbraw/zinc/60/07/61/369600761.db2.gz LMGLLARUDJFROV-UHFFFAOYSA-N 1 0 294.782 3.156 50 0 CGAARO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)c(C)cc1C ZINC000065425723 369676223 /nfs/dbraw/zinc/67/62/23/369676223.db2.gz MWMLYOUVQYPASB-UHFFFAOYSA-N 1 0 271.408 3.367 50 0 CGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000065494144 369679696 /nfs/dbraw/zinc/67/96/96/369679696.db2.gz NJEIJSPWPDQUIC-AWEZNQCLSA-N 1 0 261.394 3.008 50 0 CGAARO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)C1=CCCCC1 ZINC000065528553 369682375 /nfs/dbraw/zinc/68/23/75/369682375.db2.gz OSJRTVBBAJNDFA-CQSZACIVSA-N 1 0 278.440 3.304 50 0 CGAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000069630114 369766425 /nfs/dbraw/zinc/76/64/25/369766425.db2.gz NACBVWGUOURYQI-LRDDRELGSA-N 1 0 288.366 3.109 50 0 CGAARO CC(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072475272 369822755 /nfs/dbraw/zinc/82/27/55/369822755.db2.gz SCMSRMSCIABCRX-UHFFFAOYSA-N 1 0 279.334 3.443 50 0 CGAARO Fc1ccccc1NC1CC[NH+](CCc2ccncc2)CC1 ZINC000072688210 369835139 /nfs/dbraw/zinc/83/51/39/369835139.db2.gz BKKNYAOVEDZYEP-UHFFFAOYSA-N 1 0 299.393 3.340 50 0 CGAARO Fc1cccc(Cl)c1C[NH2+]C[C@H]1CSCCS1 ZINC000075109939 369895239 /nfs/dbraw/zinc/89/52/39/369895239.db2.gz ILLBBQAPQFDGDK-VIFPVBQESA-N 1 0 291.844 3.417 50 0 CGAARO Cc1ccc(O)c(C[NH2+]C[C@@H](C)c2nc3ccccc3o2)n1 ZINC000078975479 369957274 /nfs/dbraw/zinc/95/72/74/369957274.db2.gz QKEYSCRJKYLQSE-LLVKDONJSA-N 1 0 297.358 3.130 50 0 CGAARO C[N@@H+]1CCCc2c(c3ccccc3n2Cc2ccncc2)C1 ZINC000075567387 369913639 /nfs/dbraw/zinc/91/36/39/369913639.db2.gz NYKFGFPZUUARDO-UHFFFAOYSA-N 1 0 291.398 3.463 50 0 CGAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cc(F)ccc1F)CCC2 ZINC000084257763 370012223 /nfs/dbraw/zinc/01/22/23/370012223.db2.gz PTVIMPKBUYQTEA-GFCCVEGCSA-N 1 0 291.345 3.137 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)c(F)c1 ZINC000084647930 370014001 /nfs/dbraw/zinc/01/40/01/370014001.db2.gz MVJVMJQOCPVTML-WCQYABFASA-N 1 0 291.345 3.390 50 0 CGAARO Cc1nc(C[C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)no1 ZINC000089718256 370046470 /nfs/dbraw/zinc/04/64/70/370046470.db2.gz QFWLICKWOVASDL-HFTQHKIXSA-N 1 0 297.402 3.346 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C)c(OC)c1OC ZINC000088699317 370036946 /nfs/dbraw/zinc/03/69/46/370036946.db2.gz ONRRAXIXQAPASE-OCCSQVGLSA-N 1 0 293.407 3.033 50 0 CGAARO Cc1noc(CC[NH2+][C@@H](C)c2cc3ccccc3o2)n1 ZINC000089518354 370042316 /nfs/dbraw/zinc/04/23/16/370042316.db2.gz BAYKOIQUOGXVMA-JTQLQIEISA-N 1 0 271.320 3.018 50 0 CGAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(C)s1)CCC2 ZINC000089656588 370044398 /nfs/dbraw/zinc/04/43/98/370044398.db2.gz FGCCRQWBYGWBDJ-ZDUSSCGKSA-N 1 0 275.421 3.229 50 0 CGAARO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)s1 ZINC000090528449 370061485 /nfs/dbraw/zinc/06/14/85/370061485.db2.gz NWLODEJRMRNBJL-GXSJLCMTSA-N 1 0 292.452 3.327 50 0 CGAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc2ccccc2o1 ZINC000090515914 370061643 /nfs/dbraw/zinc/06/16/43/370061643.db2.gz HYDCJDRJMBQMNG-SYTFOFBDSA-N 1 0 279.405 3.241 50 0 CGAARO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccc(F)cc32)cc1 ZINC000091690240 370074718 /nfs/dbraw/zinc/07/47/18/370074718.db2.gz PPBRJIIAYAVXGH-OAHLLOKOSA-N 1 0 284.334 3.406 50 0 CGAARO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccsc2)c1 ZINC000089913469 370050078 /nfs/dbraw/zinc/05/00/78/370050078.db2.gz PDEROXNMUPNULT-IAQYHMDHSA-N 1 0 277.389 3.141 50 0 CGAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(C)cc1C ZINC000089948937 370052641 /nfs/dbraw/zinc/05/26/41/370052641.db2.gz ZHACFUTXNBBPCE-AEFFLSMTSA-N 1 0 288.435 3.040 50 0 CGAARO C[NH+](C)C1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000095415266 370185643 /nfs/dbraw/zinc/18/56/43/370185643.db2.gz ZGQHIMHZTPLDNL-UHFFFAOYSA-N 1 0 288.416 3.068 50 0 CGAARO CCCCn1ccnc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095352779 370177347 /nfs/dbraw/zinc/17/73/47/370177347.db2.gz SRXAKRMJLNDTNV-HNNXBMFYSA-N 1 0 284.407 3.462 50 0 CGAARO C[N@@H+](Cc1cccc(-c2cccnc2)c1)C[C@@H]1CCOC1 ZINC000093839903 370162760 /nfs/dbraw/zinc/16/27/60/370162760.db2.gz BPMWDBASJCOSKV-INIZCTEOSA-N 1 0 282.387 3.217 50 0 CGAARO c1cc(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000096447520 370212005 /nfs/dbraw/zinc/21/20/05/370212005.db2.gz CEMPNKUGXBIHIH-GJZGRUSLSA-N 1 0 259.374 3.368 50 0 CGAARO C[NH+](C)Cc1ccnc(NCc2cnc3ccsc3c2)c1 ZINC000097045291 370218099 /nfs/dbraw/zinc/21/80/99/370218099.db2.gz ROFXLXRKUNRQPQ-UHFFFAOYSA-N 1 0 298.415 3.365 50 0 CGAARO Cn1c(C[NH+]2CCC(c3cc[nH]n3)CC2)cc2ccccc21 ZINC000097784931 370254065 /nfs/dbraw/zinc/25/40/65/370254065.db2.gz DFJUNTNFQBHASJ-UHFFFAOYSA-N 1 0 294.402 3.281 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000097324249 370238220 /nfs/dbraw/zinc/23/82/20/370238220.db2.gz HQAOOHINXZAGFN-OWCLPIDISA-N 1 0 294.483 3.439 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccncc2)o1 ZINC000097375342 370239051 /nfs/dbraw/zinc/23/90/51/370239051.db2.gz SMSBZISSRZSHIV-UHFFFAOYSA-N 1 0 282.347 3.005 50 0 CGAARO CCc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)o1 ZINC000097446958 370242331 /nfs/dbraw/zinc/24/23/31/370242331.db2.gz HSUXVBOLIXJRAF-UHFFFAOYSA-N 1 0 263.381 3.235 50 0 CGAARO COCC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000097529025 370245731 /nfs/dbraw/zinc/24/57/31/370245731.db2.gz ABWBFHNVLWKMIS-GFCCVEGCSA-N 1 0 269.335 3.213 50 0 CGAARO COC[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000095419309 370187198 /nfs/dbraw/zinc/18/71/98/370187198.db2.gz HGJFAVVCRMVBFC-ZWKOTPCHSA-N 1 0 282.387 3.186 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)o1 ZINC000095448886 370195211 /nfs/dbraw/zinc/19/52/11/370195211.db2.gz XVJPKOXYAVBDCG-BZNIZROVSA-N 1 0 277.339 3.329 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095448881 370195486 /nfs/dbraw/zinc/19/54/86/370195486.db2.gz ICISBKRPOUQCMR-HZMBPMFUSA-N 1 0 294.395 3.192 50 0 CGAARO Cn1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000095448645 370195558 /nfs/dbraw/zinc/19/55/58/370195558.db2.gz FCDGLPPDCPEQGW-GOSISDBHSA-N 1 0 298.386 3.037 50 0 CGAARO CC(C)COC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000095454551 370196930 /nfs/dbraw/zinc/19/69/30/370196930.db2.gz RMLLRVZJAFXWQO-ZIAGYGMSSA-N 1 0 283.437 3.479 50 0 CGAARO O=C(C[NH2+]C(C1CCCC1)C1CCCC1)NCC1CCC1 ZINC000095462619 370198084 /nfs/dbraw/zinc/19/80/84/370198084.db2.gz JKADTZQETNMDOP-UHFFFAOYSA-N 1 0 292.467 3.241 50 0 CGAARO Cc1ccc2ncccc2c1CN1CC[N@@H+](C(C)C)[C@H](C)C1 ZINC000097694923 370252049 /nfs/dbraw/zinc/25/20/49/370252049.db2.gz KJOWMQMAGFFDFY-MRXNPFEDSA-N 1 0 297.446 3.458 50 0 CGAARO COc1ccc2[nH]cc(CC[NH2+]Cc3cccnc3)c2c1 ZINC000100027750 370270277 /nfs/dbraw/zinc/27/02/77/370270277.db2.gz HBQUIMNQAXGEJN-CQSZACIVSA-N 1 0 281.359 3.070 50 0 CGAARO Cn1cc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cn1 ZINC000134263854 371317396 /nfs/dbraw/zinc/31/73/96/371317396.db2.gz ROAXYSHFFCDANK-MRXNPFEDSA-N 1 0 269.392 3.046 50 0 CGAARO C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc2[nH]ccc2c1 ZINC000426370896 372153616 /nfs/dbraw/zinc/15/36/16/372153616.db2.gz BSGYKSKKXHKNOC-ZDUSSCGKSA-N 1 0 299.418 3.220 50 0 CGAARO CSc1n[nH]c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000426403861 372158067 /nfs/dbraw/zinc/15/80/67/372158067.db2.gz YDASSKAJAVQGIB-LLVKDONJSA-N 1 0 288.420 3.350 50 0 CGAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccn1 ZINC000426501924 372161061 /nfs/dbraw/zinc/16/10/61/372161061.db2.gz UDVYERAVKSDJFQ-HNNXBMFYSA-N 1 0 282.387 3.450 50 0 CGAARO CC[C@H](NC1CC[NH+](CC)CC1)c1ccccc1F ZINC000163461391 372470896 /nfs/dbraw/zinc/47/08/96/372470896.db2.gz AVAOFRGKGNAAEW-INIZCTEOSA-N 1 0 264.388 3.351 50 0 CGAARO CN1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000061744918 541885131 /nfs/dbraw/zinc/88/51/31/541885131.db2.gz NQSFJHOJUKKDFZ-UHFFFAOYSA-N 1 0 290.451 3.000 50 0 CGAARO CCCC[N@H+](Cc1nnc(C)s1)C1CCCC1 ZINC000299788819 373612138 /nfs/dbraw/zinc/61/21/38/373612138.db2.gz VXTMYXLIXYBIIG-UHFFFAOYSA-N 1 0 253.415 3.391 50 0 CGAARO c1cc([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)n[nH]1 ZINC000182250785 374245060 /nfs/dbraw/zinc/24/50/60/374245060.db2.gz XLJFWSCUZCLSPO-KRWDZBQOSA-N 1 0 299.418 3.196 50 0 CGAARO CC[C@](C)(CC(=O)OC)[NH2+]Cc1nc2ccccc2s1 ZINC000084721141 541935468 /nfs/dbraw/zinc/93/54/68/541935468.db2.gz DOLRFKDSMVBTSP-OAHLLOKOSA-N 1 0 292.404 3.118 50 0 CGAARO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000185486176 374672897 /nfs/dbraw/zinc/67/28/97/374672897.db2.gz YTJJCTVXKJRRNE-ZDUSSCGKSA-N 1 0 273.405 3.026 50 0 CGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000191065232 375571404 /nfs/dbraw/zinc/57/14/04/375571404.db2.gz UWIPJTBKTIFULT-RDJZCZTQSA-N 1 0 290.451 3.066 50 0 CGAARO [NH3+]C1NC(c2ccc(Cc3ccccc3)cc2)=CS1 ZINC000504745821 375655786 /nfs/dbraw/zinc/65/57/86/375655786.db2.gz VQIORTZQJUKQHM-UHFFFAOYSA-N 1 0 267.377 3.318 50 0 in-vitro CGAARO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1cccnc1)C2 ZINC000192437989 375749183 /nfs/dbraw/zinc/74/91/83/375749183.db2.gz RSFDQLCZLKBDFR-BBRMVZONSA-N 1 0 282.387 3.298 50 0 CGAARO COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccccn1)C2 ZINC000192437645 375749310 /nfs/dbraw/zinc/74/93/10/375749310.db2.gz OXEBCWBMUFCTCG-HIFRSBDPSA-N 1 0 282.387 3.298 50 0 CGAARO C(=C/c1ccccc1)\CN1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000193596998 375895617 /nfs/dbraw/zinc/89/56/17/375895617.db2.gz ZCIXWIJIZIGASS-AIADIJKESA-N 1 0 298.430 3.010 50 0 CGAARO C[C@@H](CC[N@H+](C)Cc1cnccn1)c1ccccc1 ZINC000193810001 375926453 /nfs/dbraw/zinc/92/64/53/375926453.db2.gz GGBFVTVFDKIUBL-AWEZNQCLSA-N 1 0 255.365 3.102 50 0 CGAARO C[C@H](C(=O)N([C@@H](C)C1CC1)C1CC1)[C@@H]([NH3+])c1ccccc1 ZINC000195543218 376111506 /nfs/dbraw/zinc/11/15/06/376111506.db2.gz OGNOSEGQWDAFEY-GDZNZVCISA-N 1 0 286.419 3.112 50 0 CGAARO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cn1 ZINC000214986118 376144371 /nfs/dbraw/zinc/14/43/71/376144371.db2.gz ZAMMRCIVMVSZTR-QGZVFWFLSA-N 1 0 296.418 3.270 50 0 CGAARO COC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000215345374 376147217 /nfs/dbraw/zinc/14/72/17/376147217.db2.gz TUSBWMJVERWICH-SNVBAGLBSA-N 1 0 274.191 3.462 50 0 CGAARO Cc1nccn1CC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000215954991 376154324 /nfs/dbraw/zinc/15/43/24/376154324.db2.gz FESWFXTUCLSMBV-UHFFFAOYSA-N 1 0 287.407 3.111 50 0 CGAARO COc1c(F)cccc1C[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000215933946 376154369 /nfs/dbraw/zinc/15/43/69/376154369.db2.gz NOAPPVQGVIBPFD-ZDUSSCGKSA-N 1 0 281.371 3.224 50 0 CGAARO CCn1ccnc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000216126104 376158375 /nfs/dbraw/zinc/15/83/75/376158375.db2.gz ITXZGDAFFIFNSM-KRWDZBQOSA-N 1 0 298.434 3.285 50 0 CGAARO COc1ccc(C[N@H+]2CC=C(C)CC2)cc1Cn1cccn1 ZINC000216248040 376161294 /nfs/dbraw/zinc/16/12/94/376161294.db2.gz VNXZOARSZAWHOG-UHFFFAOYSA-N 1 0 297.402 3.092 50 0 CGAARO COC[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000216392686 376162437 /nfs/dbraw/zinc/16/24/37/376162437.db2.gz AUOBPQRGFVZVGI-CQSZACIVSA-N 1 0 271.763 3.480 50 0 CGAARO Cc1nc(CC2CC[NH+](C[C@@H](C)c3ccccc3)CC2)no1 ZINC000216395620 376163265 /nfs/dbraw/zinc/16/32/65/376163265.db2.gz ZJSIXWGINBVFMZ-CQSZACIVSA-N 1 0 299.418 3.436 50 0 CGAARO Cc1ccc(N(C)C(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000225445385 376309780 /nfs/dbraw/zinc/30/97/80/376309780.db2.gz BMGVKKVDMCNKIE-MRXNPFEDSA-N 1 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XOVSVJUXHYEFNV-UHFFFAOYSA-N 1 0 296.480 3.497 50 0 CGAARO Cc1cccnc1C[C@@H](C)[N@H+](C)CCCc1cccnc1 ZINC000252497001 377632400 /nfs/dbraw/zinc/63/24/00/377632400.db2.gz PXHAJSMMMNUXOS-MRXNPFEDSA-N 1 0 283.419 3.281 50 0 CGAARO Cc1c(C(=O)CN2CCCC2)ccn1-c1ccc(F)cc1 ZINC000253476162 377695501 /nfs/dbraw/zinc/69/55/01/377695501.db2.gz RRYDOXWXQIJZHQ-UHFFFAOYSA-N 1 0 286.350 3.203 50 0 CGAARO c1ccc(OCCCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000253374622 377687451 /nfs/dbraw/zinc/68/74/51/377687451.db2.gz NABRYTNLLIKHCO-UHFFFAOYSA-N 1 0 288.435 3.016 50 0 CGAARO COc1cccc(C[NH+]2CCC3(CC[C@@H]3OC)CC2)c1 ZINC000257186043 377796262 /nfs/dbraw/zinc/79/62/62/377796262.db2.gz YFORKFLSQFIODF-INIZCTEOSA-N 1 0 275.392 3.086 50 0 CGAARO CC[N@H+](Cc1cc[nH]c(=O)c1)[C@@H](C)c1cccc(OC)c1 ZINC000585116799 378397218 /nfs/dbraw/zinc/39/72/18/378397218.db2.gz IXZXSUFHHLVAJE-ZDUSSCGKSA-N 1 0 286.375 3.379 50 0 CGAARO CCOC1CC(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000585117275 378397524 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ZINC000031992883 391964584 /nfs/dbraw/zinc/96/45/84/391964584.db2.gz BUJSOJLVCBARGE-ZDUSSCGKSA-N 1 0 292.404 3.154 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000058163268 392112807 /nfs/dbraw/zinc/11/28/07/392112807.db2.gz NEHWMHYJSYASFG-LLVKDONJSA-N 1 0 290.313 3.082 50 0 CGAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](CCCCCO)C2)cc1 ZINC000096415681 392251169 /nfs/dbraw/zinc/25/11/69/392251169.db2.gz BQJYZUIOPILOFO-GOEBONIOSA-N 1 0 277.408 3.036 50 0 CGAARO Cc1[nH+]c2ccccc2c(N2CCC(CO)CC2)c1C ZINC000096501978 392256082 /nfs/dbraw/zinc/25/60/82/392256082.db2.gz IFXQDGGCCHMWQL-UHFFFAOYSA-N 1 0 270.376 3.060 50 0 CGAARO COc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1OCc1ccncc1 ZINC000105437431 392289886 /nfs/dbraw/zinc/28/98/86/392289886.db2.gz QOVKJMWVHRQEFC-CJNGLKHVSA-N 1 0 298.386 3.167 50 0 CGAARO CC(C)[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000252505821 393124424 /nfs/dbraw/zinc/12/44/24/393124424.db2.gz VTZRQCPLTNGANT-INIZCTEOSA-N 1 0 265.372 3.055 50 0 CGAARO c1cnn(CCC[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000095419833 285557625 /nfs/dbraw/zinc/55/76/25/285557625.db2.gz ZTLSSRKGPGWJDB-CYBMUJFWSA-N 1 0 261.394 3.002 50 0 CGAARO C[N@H+](CCC1(O)CCCC1)Cc1cccc2ncccc12 ZINC000670434361 543154242 /nfs/dbraw/zinc/15/42/42/543154242.db2.gz QMHZYPQEGWMOCA-UHFFFAOYSA-N 1 0 284.403 3.362 50 0 CGAARO C=Cc1cccc(CN2CC[N@@H+](CC)C(C)(C)C2)c1 ZINC000670447242 543155930 /nfs/dbraw/zinc/15/59/30/543155930.db2.gz UQGDLQVZEKRTPT-UHFFFAOYSA-N 1 0 258.409 3.246 50 0 CGAARO Cc1ccc2[nH]c(C[N@H+](C)CC[C@H]3CC3(F)F)nc2c1 ZINC000670457681 543156811 /nfs/dbraw/zinc/15/68/11/543156811.db2.gz WLUDKXJRYLBJIG-NSHDSACASA-N 1 0 279.334 3.348 50 0 CGAARO O=C(c1ccccc1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004703407 170001688 /nfs/dbraw/zinc/00/16/88/170001688.db2.gz ZCCHWMPGRXSXGS-UHFFFAOYSA-N 1 0 286.419 3.167 50 0 CGAARO CC(C)C[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000004821150 170023386 /nfs/dbraw/zinc/02/33/86/170023386.db2.gz IILLNKHUDOFTNW-UHFFFAOYSA-N 1 0 265.744 3.136 50 0 CGAARO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000004844484 170029269 /nfs/dbraw/zinc/02/92/69/170029269.db2.gz KAEKDAGXGBKJLT-GFCCVEGCSA-N 1 0 270.376 3.391 50 0 CGAARO CCCCOc1ccccc1OCCC[NH+](C)C ZINC000004870229 170034937 /nfs/dbraw/zinc/03/49/37/170034937.db2.gz PFZLQNGOBHJHPR-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000004956180 170045306 /nfs/dbraw/zinc/04/53/06/170045306.db2.gz LOSBVWVGKPNPKG-CQSZACIVSA-N 1 0 286.419 3.236 50 0 CGAARO COc1ccc(CC[NH2+]C2CCC(C)CC2)cc1OC ZINC000004989369 170050221 /nfs/dbraw/zinc/05/02/21/170050221.db2.gz YZUKBKZDTGLPKU-UHFFFAOYSA-N 1 0 277.408 3.415 50 0 CGAARO CCCC[C@H](C(=O)OCC)[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000004992116 170051116 /nfs/dbraw/zinc/05/11/16/170051116.db2.gz BWAWEEVCWSREJV-LSDHHAIUSA-N 1 0 281.371 3.065 50 0 CGAARO Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)O)o2)cc1Cl ZINC000004999757 170052705 /nfs/dbraw/zinc/05/27/05/170052705.db2.gz HARWUSPYBDEJOJ-LLVKDONJSA-N 1 0 279.767 3.379 50 0 CGAARO COc1cc(C[NH2+]C2CCCCCC2)cc(OC)c1O ZINC000005022393 170056953 /nfs/dbraw/zinc/05/69/53/170056953.db2.gz IQGHGGMGPDLDQO-UHFFFAOYSA-N 1 0 279.380 3.222 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000005253857 170080054 /nfs/dbraw/zinc/08/00/54/170080054.db2.gz MOCMHAKOWJIMEH-RYUDHWBXSA-N 1 0 288.366 3.468 50 0 CGAARO COc1ccc(Br)cc1C[NH2+]CC(C)C ZINC000005817284 170142768 /nfs/dbraw/zinc/14/27/68/170142768.db2.gz IDMQRIUGKOXSEP-UHFFFAOYSA-N 1 0 272.186 3.203 50 0 CGAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000006493031 170206774 /nfs/dbraw/zinc/20/67/74/170206774.db2.gz FJNAGZZHYAYLCT-PCKAHOCUSA-N 1 0 283.456 3.065 50 0 CGAARO CCc1ccccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000006699006 170228309 /nfs/dbraw/zinc/22/83/09/170228309.db2.gz OTUSAEMEXPUHKQ-UHFFFAOYSA-N 1 0 289.423 3.243 50 0 CGAARO COc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007386031 170282087 /nfs/dbraw/zinc/28/20/87/170282087.db2.gz RELAAWXYYQCVPO-IHRRRGAJSA-N 1 0 290.407 3.000 50 0 CGAARO CCc1cccc(C)c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007788155 170302925 /nfs/dbraw/zinc/30/29/25/170302925.db2.gz OHRNAQCRXSLRFU-KBPBESRZSA-N 1 0 288.435 3.474 50 0 CGAARO Cc1ccc2c(c1)c(CC[NH3+])cn2Cc1ccccc1 ZINC000008992575 170361022 /nfs/dbraw/zinc/36/10/22/170361022.db2.gz CEMJWYFBISCMMI-UHFFFAOYSA-N 1 0 264.372 3.499 50 0 CGAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccncc1 ZINC000020122494 171002745 /nfs/dbraw/zinc/00/27/45/171002745.db2.gz CNUNKQRODNEYCA-CYBMUJFWSA-N 1 0 265.360 3.456 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000020524494 171237409 /nfs/dbraw/zinc/23/74/09/171237409.db2.gz PBHMIPYGRFHEKR-AWEZNQCLSA-N 1 0 270.461 3.044 50 0 CGAARO c1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000020639816 171268728 /nfs/dbraw/zinc/26/87/28/171268728.db2.gz VPABHBIKTVQKET-UHFFFAOYSA-N 1 0 283.371 3.065 50 0 CGAARO Cc1ccc(SCCCCN2CCOCC2)cc1 ZINC000020653388 171268746 /nfs/dbraw/zinc/26/87/46/171268746.db2.gz WOFAJJCURCCKBL-UHFFFAOYSA-N 1 0 265.422 3.200 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000020865678 171276710 /nfs/dbraw/zinc/27/67/10/171276710.db2.gz ZKIAFYXCJDVJTD-INIZCTEOSA-N 1 0 285.391 3.078 50 0 CGAARO O=C(c1cccs1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021170677 171299073 /nfs/dbraw/zinc/29/90/73/171299073.db2.gz OFCHVIPHNOUWJA-AWEZNQCLSA-N 1 0 292.448 3.229 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000022455522 171388259 /nfs/dbraw/zinc/38/82/59/171388259.db2.gz HBRULDLGSGQNDI-INIZCTEOSA-N 1 0 290.451 3.092 50 0 CGAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccnc1 ZINC000022628188 171395082 /nfs/dbraw/zinc/39/50/82/171395082.db2.gz KEHHLMSMHNICBF-UHFFFAOYSA-N 1 0 265.360 3.204 50 0 CGAARO C[C@@H](NC(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000035587966 172287335 /nfs/dbraw/zinc/28/73/35/172287335.db2.gz BSEBOXRPIWDTLS-PBHICJAKSA-N 1 0 282.387 3.108 50 0 CGAARO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000038857462 174158350 /nfs/dbraw/zinc/15/83/50/174158350.db2.gz NGFGKZVIEZDGOT-AWEZNQCLSA-N 1 0 294.826 3.078 50 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CGAARO CCOc1ccccc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000072414069 176399084 /nfs/dbraw/zinc/39/90/84/176399084.db2.gz KTRVJSWEPGWPMM-UHFFFAOYSA-N 1 0 290.407 3.146 50 0 CGAARO CCCn1ccnc1C[N@@H+]1CCCC[C@@H]1CCCOC ZINC000077302277 177250385 /nfs/dbraw/zinc/25/03/85/177250385.db2.gz HQCHLGVWRSEMJP-OAHLLOKOSA-N 1 0 279.428 3.074 50 0 CGAARO CC(C)SCC[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077525224 177278090 /nfs/dbraw/zinc/27/80/90/177278090.db2.gz MAZXZRDRHXXDSJ-OAHLLOKOSA-N 1 0 281.469 3.269 50 0 CGAARO O=C(Nc1cccc(C[NH2+]Cc2cccs2)c1)C1CC1 ZINC000048326072 416446496 /nfs/dbraw/zinc/44/64/96/416446496.db2.gz UAKLIZGDFIRALQ-UHFFFAOYSA-N 1 0 286.400 3.386 50 0 CGAARO O[C@H]1CCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657373799 419263419 /nfs/dbraw/zinc/26/34/19/419263419.db2.gz CERDTKQDCQFLGQ-JSGCOSHPSA-N 1 0 293.382 3.008 50 0 CGAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000095883694 260558076 /nfs/dbraw/zinc/55/80/76/260558076.db2.gz XBRUNVZVLNSKHL-CYBMUJFWSA-N 1 0 262.353 3.370 50 0 CGAARO CCC[C@H]1CN(c2ccc3cccc(Cl)c3n2)C[C@@H]1[NH3+] ZINC000095378575 273622823 /nfs/dbraw/zinc/62/28/23/273622823.db2.gz JKBZJXZKNOJPBZ-JSGCOSHPSA-N 1 0 289.810 3.452 50 0 CGAARO [NH3+]CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000379447 274944931 /nfs/dbraw/zinc/94/49/31/274944931.db2.gz FXUBEQZPKFFQBL-UHFFFAOYSA-N 1 0 270.357 3.165 50 0 CGAARO CC(C)(C)c1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020545896 275536019 /nfs/dbraw/zinc/53/60/19/275536019.db2.gz JURYOVRVOVVMDZ-UHFFFAOYSA-N 1 0 260.425 3.170 50 0 CGAARO CCC[C@H]1COCC[N@@H+]1Cc1ccc(OC)cc1C ZINC000216236449 276050658 /nfs/dbraw/zinc/05/06/58/276050658.db2.gz RQSNVDGJIYVFLW-HNNXBMFYSA-N 1 0 263.381 3.005 50 0 CGAARO C[C@@H](C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225719563 278261174 /nfs/dbraw/zinc/26/11/74/278261174.db2.gz ROLNLIWWMRHTLN-LBPRGKRZSA-N 1 0 286.341 3.056 50 0 CGAARO Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000024535626 278926997 /nfs/dbraw/zinc/92/69/97/278926997.db2.gz VGFNHJYUHBGRQX-KRWDZBQOSA-N 1 0 297.402 3.419 50 0 CGAARO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000050268761 279439423 /nfs/dbraw/zinc/43/94/23/279439423.db2.gz OVMTXBDKVCLWTK-QJPTWQEYSA-N 1 0 263.303 3.390 50 0 CGAARO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)c2ccccc2n1 ZINC000069387469 280492579 /nfs/dbraw/zinc/49/25/79/280492579.db2.gz FEUBIUWVPWWSMC-LSDHHAIUSA-N 1 0 294.402 3.479 50 0 CGAARO Cc1cc(N2C[C@@H](O)C[C@@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000170088651 280584540 /nfs/dbraw/zinc/58/45/40/280584540.db2.gz LIXCFTQUDWMSRP-AAEUAGOBSA-N 1 0 290.794 3.465 50 0 CGAARO CC1(C)OC[C@@H]([NH+]2CCCCC2)[C@@H](c2ccccc2)O1 ZINC000095918097 281415292 /nfs/dbraw/zinc/41/52/92/281415292.db2.gz NYILHNFZMOENDP-HZPDHXFCSA-N 1 0 275.392 3.365 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH+]2CCC(C)CC2)ccc1Cl ZINC000001469918 301377743 /nfs/dbraw/zinc/37/77/43/301377743.db2.gz VNCDVLJOGRFWAY-CQSZACIVSA-N 1 0 297.826 3.120 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1nc2cc(OC)ccc2o1 ZINC000534580326 328311449 /nfs/dbraw/zinc/31/14/49/328311449.db2.gz RURNTTHQQLXOPN-JTQLQIEISA-N 1 0 280.393 3.068 50 0 CGAARO C[C@H]([NH2+]Cc1nn(C)c2cccc(Cl)c12)C1CC1 ZINC000534670940 328347473 /nfs/dbraw/zinc/34/74/73/328347473.db2.gz FQASWCFBRWRKJY-VIFPVBQESA-N 1 0 263.772 3.115 50 0 CGAARO Fc1cccc(C2(C[NH2+][C@@H]3CCOC3)CCCC2)c1 ZINC000534676026 328355957 /nfs/dbraw/zinc/35/59/57/328355957.db2.gz GWYCLZCKSYIXHQ-OAHLLOKOSA-N 1 0 263.356 3.016 50 0 CGAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000195561908 336056223 /nfs/dbraw/zinc/05/62/23/336056223.db2.gz ZXLCXUHMAFYUAN-CYBMUJFWSA-N 1 0 268.360 3.210 50 0 CGAARO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](O)c1ccsc1 ZINC000096478105 534190479 /nfs/dbraw/zinc/19/04/79/534190479.db2.gz VMMNHPOWMGAZGR-JQWIXIFHSA-N 1 0 273.467 3.291 50 0 CGAARO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H](O)c1ccsc1 ZINC000096478109 534190897 /nfs/dbraw/zinc/19/08/97/534190897.db2.gz VMMNHPOWMGAZGR-CMPLNLGQSA-N 1 0 273.467 3.291 50 0 CGAARO Cc1noc(C)c1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000096479199 534338908 /nfs/dbraw/zinc/33/89/08/534338908.db2.gz DQQDSHMGZSVECT-AWEZNQCLSA-N 1 0 280.412 3.160 50 0 CGAARO COc1ccc(CC[N@H+](C)Cc2ccc(C)o2)cc1OC ZINC000004987708 523939881 /nfs/dbraw/zinc/93/98/81/523939881.db2.gz MTVGGOPKHUDBLD-UHFFFAOYSA-N 1 0 289.375 3.280 50 0 CGAARO Cc1csc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447533 534816877 /nfs/dbraw/zinc/81/68/77/534816877.db2.gz XWOQMFSBEUMQAG-UKRRQHHQSA-N 1 0 274.389 3.071 50 0 CGAARO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccn2)C1 ZINC000096441700 529219791 /nfs/dbraw/zinc/21/97/91/529219791.db2.gz BONGIWSGQOJMKQ-ZIAGYGMSSA-N 1 0 250.411 3.188 50 0 CGAARO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000252501894 567060610 /nfs/dbraw/zinc/06/06/10/567060610.db2.gz UKNJYLILQHCCMR-QWRGUYRKSA-N 1 0 256.440 3.215 50 0 CGAARO C[C@H]([NH3+])c1ccc(OC(F)F)c(Br)c1 ZINC000585672470 567938537 /nfs/dbraw/zinc/93/85/37/567938537.db2.gz ZHXXXUUJSVPKKG-YFKPBYRVSA-N 1 0 266.085 3.070 50 0 CGAARO CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034682476 572338689 /nfs/dbraw/zinc/33/86/89/572338689.db2.gz SEWZUESGMMENBM-UHFFFAOYSA-N 1 0 298.386 3.297 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]CCC1(O)CCCC1 ZINC000404212079 572357032 /nfs/dbraw/zinc/35/70/32/572357032.db2.gz VKFNPWKCYHDJFQ-OAHLLOKOSA-N 1 0 261.409 3.293 50 0 CGAARO C[N@H+](Cc1ccsc1)[C@@H]1CCN(c2ccccc2)C1 ZINC000952978444 616089676 /nfs/dbraw/zinc/08/96/76/616089676.db2.gz ZPPDNGYKCJXRKL-MRXNPFEDSA-N 1 0 272.417 3.459 50 0 CGAARO CC(=O)Nc1nc(C[NH2+][C@H](C)C2CCCCC2)cs1 ZINC000182941079 619041351 /nfs/dbraw/zinc/04/13/51/619041351.db2.gz PFICTVNPIFHHBD-SNVBAGLBSA-N 1 0 281.425 3.160 50 0 CGAARO O[C@@H]1CCCC[C@H]1[NH2+]CC1=Cc2cc(Cl)ccc2OC1 ZINC000185171101 625315817 /nfs/dbraw/zinc/31/58/17/625315817.db2.gz LYTSHOBKJAYKSN-HUUCEWRRSA-N 1 0 293.794 3.009 50 0 CGAARO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CC12CC2 ZINC000888095926 619259678 /nfs/dbraw/zinc/25/96/78/619259678.db2.gz FJKGOEOVPPVXSO-DGCLKSJQSA-N 1 0 269.348 3.015 50 0 CGAARO C[C@@H]([NH2+]C1CCN(C)CC1)c1coc2ccccc12 ZINC000863982333 629721533 /nfs/dbraw/zinc/72/15/33/629721533.db2.gz CYQGGROKARMHHU-GFCCVEGCSA-N 1 0 258.365 3.178 50 0 CGAARO Cc1ccc([C@@H](NC2CC[NH2+]CC2)c2cccnc2)cc1C ZINC000952989320 636777571 /nfs/dbraw/zinc/77/75/71/636777571.db2.gz PXMNIMSVCMRUQZ-LJQANCHMSA-N 1 0 295.430 3.129 50 0 CGAARO COc1cccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)c1 ZINC000000277006 640921456 /nfs/dbraw/zinc/92/14/56/640921456.db2.gz PCIWRDKGBDTJTP-GOEBONIOSA-N 1 0 274.408 3.006 50 0 CGAARO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000585133288 799678497 /nfs/dbraw/zinc/67/84/97/799678497.db2.gz DQBDYWBERBUCTL-PBHICJAKSA-N 1 0 296.418 3.472 50 0 CGAARO CCc1ccc(Cn2nc(C)nc2[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000823517667 800466638 /nfs/dbraw/zinc/46/66/38/800466638.db2.gz XQNYMBJXVAOIKQ-SJORKVTESA-N 1 0 298.434 3.182 50 0 CGAARO COc1ncc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000824852110 800473178 /nfs/dbraw/zinc/47/31/78/800473178.db2.gz VEHXLMSEXHDSHV-KRWDZBQOSA-N 1 0 297.402 3.255 50 0 CGAARO CCCC[C@H]1C=CC[N@@H+]1Cc1ccc(OC)c(O)c1 ZINC001506416280 937989887 /nfs/dbraw/zinc/98/98/87/937989887.db2.gz VSHGDHWSNKKQCI-AWEZNQCLSA-N 1 0 261.365 3.331 50 0 CGAARO Cc1nc(N(C)CC[C@@H](C)[NH+]2CCCC2)ccc1Cl ZINC001529184647 938071517 /nfs/dbraw/zinc/07/15/17/938071517.db2.gz CFUNBNFWQLSVLE-GFCCVEGCSA-N 1 0 281.831 3.354 50 0 CGAARO [NH3+]C1CCN(CC(F)(F)c2ccc(C(F)F)cc2)CC1 ZINC001529596300 938073863 /nfs/dbraw/zinc/07/38/63/938073863.db2.gz GJJFVONAQSGGHD-UHFFFAOYSA-N 1 0 290.304 3.139 50 0 CGAARO Cc1ccsc1-c1nnc(SC[C@H](C)[NH+](C)C)o1 ZINC000095941671 185036404 /nfs/dbraw/zinc/03/64/04/185036404.db2.gz CMIWFKHQUSENKJ-VIFPVBQESA-N 1 0 283.422 3.149 50 0 CGAARO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)C[NH3+] ZINC000095967048 185045167 /nfs/dbraw/zinc/04/51/67/185045167.db2.gz WHRYODPALBNOLV-GFCCVEGCSA-N 1 0 282.815 3.062 50 0 CGAARO C[C@@H]([NH2+]CCn1cccn1)c1ccc(-c2cccnc2)cc1 ZINC000095985864 185056627 /nfs/dbraw/zinc/05/66/27/185056627.db2.gz RGPPHXZMVUHKEK-OAHLLOKOSA-N 1 0 292.386 3.296 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000095990123 185057716 /nfs/dbraw/zinc/05/77/16/185057716.db2.gz ZBMYZPVYYMFPQW-VXGBXAGGSA-N 1 0 254.399 3.055 50 0 CGAARO C/C=C/C=C\C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000096809612 185114963 /nfs/dbraw/zinc/11/49/63/185114963.db2.gz OSDJCVDFDXRCDK-SWBALALESA-N 1 0 284.403 3.031 50 0 CGAARO CCc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cs1 ZINC000096444351 529737138 /nfs/dbraw/zinc/73/71/38/529737138.db2.gz NEGCIKNMMRYYHF-CABCVRRESA-N 1 0 293.480 3.153 50 0 CGAARO CC(C)(C)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000023115401 344897027 /nfs/dbraw/zinc/89/70/27/344897027.db2.gz QHOZCDUJRPPIMJ-UHFFFAOYSA-N 1 0 291.435 3.475 50 0 CGAARO CC1=C[C@@H](C)C(=O)N(CC[N@H+]2C[C@H](C)CC2(C)C)C(C)=C1 ZINC000031485029 344926728 /nfs/dbraw/zinc/92/67/28/344926728.db2.gz CEDKAQMVBJYYBM-HUUCEWRRSA-N 1 0 290.451 3.435 50 0 CGAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCOC(C)C ZINC000079074046 345630141 /nfs/dbraw/zinc/63/01/41/345630141.db2.gz IVLCYOHLTWIHNN-INIZCTEOSA-N 1 0 276.424 3.142 50 0 CGAARO [NH3+]CCC[C@H](Cc1ccccc1)Oc1ccccc1 ZINC000096027226 345901821 /nfs/dbraw/zinc/90/18/21/345901821.db2.gz XTDNQPFXZXGRHW-QGZVFWFLSA-N 1 0 255.361 3.416 50 0 CGAARO [NH3+][C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000113904613 345962521 /nfs/dbraw/zinc/96/25/21/345962521.db2.gz MECDCHFRZHLREI-PMACEKPBSA-N 1 0 292.426 3.240 50 0 CGAARO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000106669059 345931825 /nfs/dbraw/zinc/93/18/25/345931825.db2.gz OCKHFZRTJFOAKB-IIQYJXCPSA-N 1 0 285.391 3.144 50 0 CGAARO COC1(C[NH2+]C2CC(c3ccccc3C)C2)CCOCC1 ZINC000127949070 346036077 /nfs/dbraw/zinc/03/60/77/346036077.db2.gz AXWRPCYJTHCBML-UHFFFAOYSA-N 1 0 289.419 3.026 50 0 CGAARO c1ncc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000157431091 346161379 /nfs/dbraw/zinc/16/13/79/346161379.db2.gz AGLDJQDUQNWWST-ZFWWWQNUSA-N 1 0 274.389 3.153 50 0 CGAARO CCN(Cc1ccc(F)c(F)c1)C[C@H]1CCC[N@@H+]1CC ZINC000170599857 346194185 /nfs/dbraw/zinc/19/41/85/346194185.db2.gz UHFYIYVDXMWZEF-CQSZACIVSA-N 1 0 282.378 3.271 50 0 CGAARO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090725144 180033103 /nfs/dbraw/zinc/03/31/03/180033103.db2.gz LPZABJUGJJYHJE-STQMWFEESA-N 1 0 292.448 3.216 50 0 CGAARO C[N@H+](CCCNc1nnc(C(C)(C)C)o1)C1CCCC1 ZINC000091643630 180214115 /nfs/dbraw/zinc/21/41/15/180214115.db2.gz FGDDBLIQQAIJCZ-UHFFFAOYSA-N 1 0 280.416 3.044 50 0 CGAARO CCC[C@H]1CN(C(=O)c2cccc3ccccc32)C[C@@H]1[NH3+] ZINC000091663926 180220901 /nfs/dbraw/zinc/22/09/01/180220901.db2.gz SQSIKJXIUIVRMO-YOEHRIQHSA-N 1 0 282.387 3.039 50 0 CGAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000106137976 186103826 /nfs/dbraw/zinc/10/38/26/186103826.db2.gz WVXBPBROOHOSGF-STQMWFEESA-N 1 0 293.386 3.068 50 0 CGAARO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)nc2)C1 ZINC000110641682 186309005 /nfs/dbraw/zinc/30/90/05/186309005.db2.gz ZKWKUCCKOHWCBC-VXGBXAGGSA-N 1 0 270.829 3.451 50 0 CGAARO [NH3+][C@@H](CC(=O)N1CCC2(C1)CCCCC2)c1ccccc1 ZINC000097229177 283546160 /nfs/dbraw/zinc/54/61/60/283546160.db2.gz OTZCPWMUUXNBQU-INIZCTEOSA-N 1 0 286.419 3.259 50 0 CGAARO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCCO2 ZINC000183580194 189363099 /nfs/dbraw/zinc/36/30/99/189363099.db2.gz WRFDNLSNORLXSU-UXLLHSPISA-N 1 0 287.403 3.044 50 0 CGAARO C[C@H](c1cnccn1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000184469918 189387176 /nfs/dbraw/zinc/38/71/76/189387176.db2.gz UUWFERKOQFKCPO-OAHLLOKOSA-N 1 0 297.402 3.329 50 0 CGAARO CSCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000191662305 189602028 /nfs/dbraw/zinc/60/20/28/189602028.db2.gz QHEPUZKEDBDABZ-UHFFFAOYSA-N 1 0 250.411 3.014 50 0 CGAARO CCn1cc(C[N@H+](C)Cc2ccc(OC)c(C)c2C)cn1 ZINC000216252985 189702237 /nfs/dbraw/zinc/70/22/37/189702237.db2.gz PQZDIPVSMWOLJS-UHFFFAOYSA-N 1 0 287.407 3.160 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@H]3CCCc4cn[nH]c43)ccc2n1 ZINC000275667673 193100373 /nfs/dbraw/zinc/10/03/73/193100373.db2.gz WXGBHSPCWPAFFZ-KRWDZBQOSA-N 1 0 292.386 3.434 50 0 CGAARO OC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000000238676 368321488 /nfs/dbraw/zinc/32/14/88/368321488.db2.gz DOPFSHFBUOETBI-UHFFFAOYSA-N 1 0 267.372 3.310 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)cc1 ZINC000000165592 368307164 /nfs/dbraw/zinc/30/71/64/368307164.db2.gz GIXFNISOHAAMBX-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 biogenic CGAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OC ZINC000000172210 368308680 /nfs/dbraw/zinc/30/86/80/368308680.db2.gz WNGUYSAZLYGHJL-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO CC[NH+](CC)C[C@H](O)COc1cc(C)ccc1C(C)C ZINC000000448202 368368961 /nfs/dbraw/zinc/36/89/61/368368961.db2.gz NUQFHLKIXBFAEF-HNNXBMFYSA-N 1 0 279.424 3.200 50 0 CGAARO Cc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000000453963 368369396 /nfs/dbraw/zinc/36/93/96/368369396.db2.gz QREVFQJNGILNLB-UHFFFAOYSA-N 1 0 282.387 3.456 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000000291991 368334516 /nfs/dbraw/zinc/33/45/16/368334516.db2.gz KQZWBIAMOJVZGT-INIZCTEOSA-N 1 0 275.392 3.024 50 0 CGAARO O[C@@H]1CCC[C@@]1([NH2+]Cc1ccccc1)c1ccccc1 ZINC000000337405 368343313 /nfs/dbraw/zinc/34/33/13/368343313.db2.gz SUUCMHHUDJQGKG-QZTJIDSGSA-N 1 0 267.372 3.217 50 0 CGAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cccs1 ZINC000000808170 368396054 /nfs/dbraw/zinc/39/60/54/368396054.db2.gz KGHVRLNTUNWPCB-CYBMUJFWSA-N 1 0 289.400 3.425 50 0 CGAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)c1c[nH]c2ccccc12 ZINC000000507985 368381647 /nfs/dbraw/zinc/38/16/47/368381647.db2.gz MJCBKKPOEAMEOT-LRDDRELGSA-N 1 0 258.365 3.076 50 0 CGAARO [NH3+][C@@H](CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000000518218 368382676 /nfs/dbraw/zinc/38/26/76/368382676.db2.gz QTRWITHPFNVZEQ-NSHDSACASA-N 1 0 291.358 3.072 50 0 biogenic CGAARO CCOC(=O)[C@@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000001226148 368404191 /nfs/dbraw/zinc/40/41/91/368404191.db2.gz BDNVMTUHBXMNIJ-DOTOQJQBSA-N 1 0 289.419 3.455 50 0 CGAARO Brc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000002554109 368463930 /nfs/dbraw/zinc/46/39/30/368463930.db2.gz BTSNGVSQMHYXQZ-UHFFFAOYSA-N 1 0 266.138 3.332 50 0 CGAARO COc1ccc(C)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000003363761 368505578 /nfs/dbraw/zinc/50/55/78/368505578.db2.gz AGXPPRKBRWPXLL-UHFFFAOYSA-N 1 0 290.407 3.207 50 0 CGAARO CC[NH+](CC)CCCNC(=S)Nc1cccc(Cl)c1 ZINC000002824999 368479276 /nfs/dbraw/zinc/47/92/76/368479276.db2.gz FQRZUNCMIKOWGF-UHFFFAOYSA-N 1 0 299.871 3.358 50 0 CGAARO C[C@@H](CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000004988828 368560283 /nfs/dbraw/zinc/56/02/83/368560283.db2.gz FCKZFVZCXHEJDA-KRWDZBQOSA-N 1 0 295.430 3.397 50 0 CGAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[C@@H](C)CC ZINC000004264053 368539731 /nfs/dbraw/zinc/53/97/31/368539731.db2.gz LNMPSDGTOGKSRR-SOUVJXGZSA-N 1 0 279.424 3.328 50 0 CGAARO [NH2+]=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2 ZINC000004350610 368544641 /nfs/dbraw/zinc/54/46/41/368544641.db2.gz DTKPOBDBQAIYNS-UHFFFAOYSA-N 1 0 282.362 3.132 50 0 CGAARO CCCC[NH2+][C@H](C)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000004573437 368551185 /nfs/dbraw/zinc/55/11/85/368551185.db2.gz BGZNVMKQDDIGOY-SNVBAGLBSA-N 1 0 293.798 3.038 50 0 CGAARO Fc1ccc(N[C@@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000011842816 368596762 /nfs/dbraw/zinc/59/67/62/368596762.db2.gz BHWOEFPKJKNIIQ-CYBMUJFWSA-N 1 0 266.335 3.251 50 0 CGAARO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332538 368579632 /nfs/dbraw/zinc/57/96/32/368579632.db2.gz BYTQIQWFLRVASL-AWEZNQCLSA-N 1 0 274.408 3.201 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000010384185 368581334 /nfs/dbraw/zinc/58/13/34/368581334.db2.gz XSNYLZBFIFXSNR-NVXWUHKLSA-N 1 0 285.387 3.086 50 0 CGAARO c1ccc(Cc2ccccc2OC2CC[NH2+]CC2)cc1 ZINC000012138383 368604138 /nfs/dbraw/zinc/60/41/38/368604138.db2.gz FZBQOBOSIQUVSG-UHFFFAOYSA-N 1 0 267.372 3.408 50 0 CGAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000012481469 368614725 /nfs/dbraw/zinc/61/47/25/368614725.db2.gz SHYZLGNMPFROMT-NSHDSACASA-N 1 0 273.163 3.074 50 0 CGAARO CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+](C)C ZINC000012915795 368633992 /nfs/dbraw/zinc/63/39/92/368633992.db2.gz PPLKUVFZUHJTHU-CQSZACIVSA-N 1 0 297.830 3.438 50 0 CGAARO CCOc1cccc(C[NH2+]Cc2ccccc2OC)c1 ZINC000013720528 368663662 /nfs/dbraw/zinc/66/36/62/368663662.db2.gz WXPDDXZLYCYQOR-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO Oc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1Cl ZINC000015075923 368690147 /nfs/dbraw/zinc/69/01/47/368690147.db2.gz HRZXRCGAMFCMCI-CYBMUJFWSA-N 1 0 289.762 3.139 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCC2)o1 ZINC000015860209 368704580 /nfs/dbraw/zinc/70/45/80/368704580.db2.gz CADPDLCGZPBBLQ-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO c1ccc(COc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631730 368682624 /nfs/dbraw/zinc/68/26/24/368682624.db2.gz MHFLLKCOCWRQHV-SFHVURJKSA-N 1 0 283.371 3.396 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1ccc(Br)cc1 ZINC000019636287 368758771 /nfs/dbraw/zinc/75/87/71/368758771.db2.gz ZCULSVCFPSITPU-UHFFFAOYSA-N 1 0 299.256 3.223 50 0 CGAARO COc1ccc(CC[NH2+]Cc2cccc(F)c2)cc1 ZINC000019642982 368759814 /nfs/dbraw/zinc/75/98/14/368759814.db2.gz MEOMVRCTJZCXGY-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Clc1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000019720907 368761545 /nfs/dbraw/zinc/76/15/45/368761545.db2.gz BHGXVBJGCVZWIY-UHFFFAOYSA-N 1 0 289.762 3.401 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1OC ZINC000019735188 368761552 /nfs/dbraw/zinc/76/15/52/368761552.db2.gz AGXNIXYXFRPCQU-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CC(C)c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019770543 368764604 /nfs/dbraw/zinc/76/46/04/368764604.db2.gz XWUXPDKGNTXKLF-UHFFFAOYSA-N 1 0 277.408 3.301 50 0 CGAARO Fc1cccc(C[C@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000019838085 368770491 /nfs/dbraw/zinc/77/04/91/368770491.db2.gz ZQKRHRZEBMVPNJ-INIZCTEOSA-N 1 0 263.356 3.012 50 0 CGAARO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1c1ccc2c(c1)OCO2 ZINC000019301127 368748501 /nfs/dbraw/zinc/74/85/01/368748501.db2.gz ZLAJKSCIINOCQJ-QGZVFWFLSA-N 1 0 292.338 3.132 50 0 biogenic CGAARO COc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019360148 368749662 /nfs/dbraw/zinc/74/96/62/368749662.db2.gz NEVFMUKEKSAROE-UHFFFAOYSA-N 1 0 296.414 3.013 50 0 CGAARO c1ccc([C@H](C[NH2+]Cc2cccnc2)N2CCCC2)cc1 ZINC000020096454 368802170 /nfs/dbraw/zinc/80/21/70/368802170.db2.gz KDRWEFOILGNGME-SFHVURJKSA-N 1 0 281.403 3.008 50 0 CGAARO c1ccc([C@@H](C[NH2+]Cc2cccnc2)N2CCCC2)cc1 ZINC000020096456 368802338 /nfs/dbraw/zinc/80/23/38/368802338.db2.gz KDRWEFOILGNGME-GOSISDBHSA-N 1 0 281.403 3.008 50 0 CGAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000023280642 368817986 /nfs/dbraw/zinc/81/79/86/368817986.db2.gz HEVGFXXEGDLDCR-GOSISDBHSA-N 1 0 297.398 3.222 50 0 CGAARO CCCC[N@H+](CC)CC(=O)Nc1cccc2ncccc21 ZINC000027273475 368868978 /nfs/dbraw/zinc/86/89/78/368868978.db2.gz PIWJJIBLEWQMAA-UHFFFAOYSA-N 1 0 285.391 3.295 50 0 CGAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000031653610 368916575 /nfs/dbraw/zinc/91/65/75/368916575.db2.gz QQDHITLGDRCKOQ-SNVBAGLBSA-N 1 0 294.345 3.166 50 0 CGAARO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCCCC1 ZINC000025404810 368846503 /nfs/dbraw/zinc/84/65/03/368846503.db2.gz RHAZLCNUSFLNPF-ZDUSSCGKSA-N 1 0 283.375 3.048 50 0 CGAARO COc1ccc(N)c(C[C@@H]2c3ccccc3CC[N@H+]2C)c1 ZINC000031829667 368919434 /nfs/dbraw/zinc/91/94/34/368919434.db2.gz JXUZONMCSRNDCO-GOSISDBHSA-N 1 0 282.387 3.049 50 0 CGAARO Cc1ccc(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(C)c1 ZINC000036098889 369009490 /nfs/dbraw/zinc/00/94/90/369009490.db2.gz DWUFAFZDNWTMNA-SFHVURJKSA-N 1 0 293.451 3.300 50 0 CGAARO CCc1cc(Br)cc2c1O[C@@]1(C=C2)CC[NH2+]C1 ZINC000036141876 369011817 /nfs/dbraw/zinc/01/18/17/369011817.db2.gz QUYCEFCDOYPXPB-AWEZNQCLSA-N 1 0 294.192 3.149 50 0 CGAARO C[NH2+]CCCCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000036379774 369018414 /nfs/dbraw/zinc/01/84/14/369018414.db2.gz QQXHWTOQPLTTGP-UHFFFAOYSA-N 1 0 275.371 3.158 50 0 CGAARO COc1ccc(C)cc1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000036397850 369021068 /nfs/dbraw/zinc/02/10/68/369021068.db2.gz YIIYUEYVYNKDKU-UHFFFAOYSA-N 1 0 298.386 3.252 50 0 CGAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000036686122 369024678 /nfs/dbraw/zinc/02/46/78/369024678.db2.gz ZPVROJANKKNYRG-HNNXBMFYSA-N 1 0 292.386 3.338 50 0 CGAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000036686121 369024744 /nfs/dbraw/zinc/02/47/44/369024744.db2.gz ZPVROJANKKNYRG-OAHLLOKOSA-N 1 0 292.386 3.338 50 0 CGAARO Cc1ccsc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000039398744 369150563 /nfs/dbraw/zinc/15/05/63/369150563.db2.gz VGGWLCJRFQGPHH-LBPRGKRZSA-N 1 0 261.394 3.159 50 0 CGAARO Cc1cc(C)c(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042774965 369232418 /nfs/dbraw/zinc/23/24/18/369232418.db2.gz BRVGYHQOXZRYJE-UHFFFAOYSA-N 1 0 253.773 3.335 50 0 CGAARO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774790 369231931 /nfs/dbraw/zinc/23/19/31/369231931.db2.gz BYJMBVBXIKFYMY-NSHDSACASA-N 1 0 298.224 3.487 50 0 CGAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@H+](C)CC)cc2)n1 ZINC000048482846 369355713 /nfs/dbraw/zinc/35/57/13/369355713.db2.gz GPIJLLPEPKUQNP-UHFFFAOYSA-N 1 0 299.418 3.231 50 0 CGAARO CCc1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000053962757 369490635 /nfs/dbraw/zinc/49/06/35/369490635.db2.gz CXIRFHJZIXVROA-UHFFFAOYSA-N 1 0 289.423 3.243 50 0 CGAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000057327632 369534430 /nfs/dbraw/zinc/53/44/30/369534430.db2.gz JWFYWBDZHMAHSH-LBPRGKRZSA-N 1 0 272.323 3.115 50 0 CGAARO Cc1cccc(-c2ncc(C[NH2+]CCCOC(C)C)cn2)c1 ZINC000055405177 369516196 /nfs/dbraw/zinc/51/61/96/369516196.db2.gz DTGPOHNRLGHTTN-UHFFFAOYSA-N 1 0 299.418 3.357 50 0 CGAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCc2ccccc2)c1 ZINC000055402830 369516521 /nfs/dbraw/zinc/51/65/21/369516521.db2.gz ZLAQSJDIIVJQMY-INIZCTEOSA-N 1 0 268.404 3.496 50 0 CGAARO COc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543735 369520582 /nfs/dbraw/zinc/52/05/82/369520582.db2.gz MMNRJDAPSFQWEL-UHFFFAOYSA-N 1 0 282.387 3.017 50 0 CGAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000058162385 369557291 /nfs/dbraw/zinc/55/72/91/369557291.db2.gz HXIQLQTWGVAYKY-CQSZACIVSA-N 1 0 297.402 3.042 50 0 CGAARO [NH3+]Cc1nc2ccc(Cl)cc2c(NC2CCCC2)n1 ZINC000064038083 369650702 /nfs/dbraw/zinc/65/07/02/369650702.db2.gz RJSFJKDMOYOCLK-UHFFFAOYSA-N 1 0 276.771 3.096 50 0 CGAARO c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000064430983 369652892 /nfs/dbraw/zinc/65/28/92/369652892.db2.gz WROZTLBKHQSCCB-UHFFFAOYSA-N 1 0 281.355 3.016 50 0 CGAARO OCc1ccccc1-c1cccc(C[NH+]2CCCC2)c1 ZINC000065490087 369678455 /nfs/dbraw/zinc/67/84/55/369678455.db2.gz GTTCCVHKYQHNSH-UHFFFAOYSA-N 1 0 267.372 3.442 50 0 CGAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc3ccccc32)C1 ZINC000067642872 369721751 /nfs/dbraw/zinc/72/17/51/369721751.db2.gz VRUZTOUNLBPCBF-OAHLLOKOSA-N 1 0 296.414 3.302 50 0 CGAARO Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000069569719 369764643 /nfs/dbraw/zinc/76/46/43/369764643.db2.gz HXXQMPKPMZCOSK-UHFFFAOYSA-N 1 0 288.435 3.379 50 0 CGAARO CC(C)(C)c1nnc(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000069664729 369766260 /nfs/dbraw/zinc/76/62/60/369766260.db2.gz JQWAUYZQHSFDCB-AWEZNQCLSA-N 1 0 285.391 3.357 50 0 CGAARO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000069664733 369766887 /nfs/dbraw/zinc/76/68/87/369766887.db2.gz JQWAUYZQHSFDCB-CQSZACIVSA-N 1 0 285.391 3.357 50 0 CGAARO Fc1cccc(-c2noc3c2C[N@H+](CC2CC2)CC3)c1 ZINC000067884126 369734091 /nfs/dbraw/zinc/73/40/91/369734091.db2.gz NOIYBYJHAFOGKK-UHFFFAOYSA-N 1 0 272.323 3.249 50 0 CGAARO CC(C)(C[NH3+])Sc1ccc(Br)cc1 ZINC000071790309 369812163 /nfs/dbraw/zinc/81/21/63/369812163.db2.gz SKFOVLBLQPMVTK-UHFFFAOYSA-N 1 0 260.200 3.279 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000084636418 370014142 /nfs/dbraw/zinc/01/41/42/370014142.db2.gz DRSPDSGWUITQTF-GFCCVEGCSA-N 1 0 253.349 3.032 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccsc1 ZINC000090221528 370058998 /nfs/dbraw/zinc/05/89/98/370058998.db2.gz IKFRDASQWWKOIV-ADLMAVQZSA-N 1 0 279.430 3.336 50 0 CGAARO C[C@H](CC[NH2+][C@@H](C)c1cc2ccccc2o1)[S@](C)=O ZINC000090515921 370062403 /nfs/dbraw/zinc/06/24/03/370062403.db2.gz HYDCJDRJMBQMNG-UYSIFFEZSA-N 1 0 279.405 3.241 50 0 CGAARO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000090800526 370069676 /nfs/dbraw/zinc/06/96/76/370069676.db2.gz VGBADXSZQVYSPC-YIZWMMSDSA-N 1 0 263.381 3.186 50 0 CGAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)o1 ZINC000090802464 370070031 /nfs/dbraw/zinc/07/00/31/370070031.db2.gz WJYVHESVGMNIEM-KBPBESRZSA-N 1 0 285.391 3.167 50 0 CGAARO CCCC1CCC(C[NH2+]CCCn2cccn2)CC1 ZINC000089949979 370051808 /nfs/dbraw/zinc/05/18/08/370051808.db2.gz OHAZSNKMLYBWRY-UHFFFAOYSA-N 1 0 263.429 3.469 50 0 CGAARO CC[C@@H]([NH2+]CCc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000089947851 370052567 /nfs/dbraw/zinc/05/25/67/370052567.db2.gz CNTSMGXVRAMNIZ-MRXNPFEDSA-N 1 0 298.386 3.136 50 0 CGAARO Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000094568668 370167918 /nfs/dbraw/zinc/16/79/18/370167918.db2.gz SHXXGPZWIKOXGE-HNNXBMFYSA-N 1 0 284.359 3.024 50 0 CGAARO c1csc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000095353666 370177746 /nfs/dbraw/zinc/17/77/46/370177746.db2.gz UVPYCGXFWZWKCQ-HZPDHXFCSA-N 1 0 299.443 3.244 50 0 CGAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095381044 370181428 /nfs/dbraw/zinc/18/14/28/370181428.db2.gz HKPIHTCIJXYIDZ-MRXNPFEDSA-N 1 0 298.434 3.458 50 0 CGAARO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CCO1 ZINC000097047090 370219203 /nfs/dbraw/zinc/21/92/03/370219203.db2.gz QRNWORPWYXGXIJ-JSGCOSHPSA-N 1 0 268.426 3.217 50 0 CGAARO OC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000097394501 370241322 /nfs/dbraw/zinc/24/13/22/370241322.db2.gz VTMSDEMRWZBRHJ-ZDUSSCGKSA-N 1 0 285.334 3.025 50 0 CGAARO C[NH+](C)Cc1ccc(-c2cc(C3CC3)ncn2)cc1 ZINC000097468046 370242306 /nfs/dbraw/zinc/24/23/06/370242306.db2.gz DSDPRARMIAAPNH-UHFFFAOYSA-N 1 0 253.349 3.083 50 0 CGAARO CC(C)CC(=O)OCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095467968 370198944 /nfs/dbraw/zinc/19/89/44/370198944.db2.gz YCFRNKDCBGNXJU-QGZVFWFLSA-N 1 0 289.419 3.488 50 0 CGAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000130985051 371074165 /nfs/dbraw/zinc/07/41/65/371074165.db2.gz JLQUSVWSBNPRQF-SSDOTTSWSA-N 1 0 293.219 3.008 50 0 CGAARO Cc1cccc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)c1C 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287123756 /nfs/dbraw/zinc/12/37/56/287123756.db2.gz FKXZARZZKNFITH-UHFFFAOYSA-N 1 0 259.393 3.120 50 0 CGAARO CC(C)CNC(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000004673400 169996923 /nfs/dbraw/zinc/99/69/23/169996923.db2.gz NGUZDKZILRGMNR-UHFFFAOYSA-N 1 0 280.456 3.051 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000004700879 170001232 /nfs/dbraw/zinc/00/12/32/170001232.db2.gz GSILAONZJUFGIM-IUODEOHRSA-N 1 0 294.826 3.238 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000004731373 170007114 /nfs/dbraw/zinc/00/71/14/170007114.db2.gz XYHROWNMYDANFB-ILXRZTDVSA-N 1 0 265.784 3.296 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000004744676 170010136 /nfs/dbraw/zinc/01/01/36/170010136.db2.gz YHKALXFEHWFSMO-STQMWFEESA-N 1 0 278.371 3.132 50 0 CGAARO C[C@H](C[NH2+]Cc1ccco1)COc1ccc(F)cc1 ZINC000004808064 170020642 /nfs/dbraw/zinc/02/06/42/170020642.db2.gz UFOJQXTWEOPVPY-GFCCVEGCSA-N 1 0 263.312 3.223 50 0 CGAARO COc1cccc(C=O)c1OCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000004842745 170028990 /nfs/dbraw/zinc/02/89/90/170028990.db2.gz XVEQGUBIBFWMEU-CQSZACIVSA-N 1 0 291.391 3.009 50 0 CGAARO C[NH+](C)CCOC1c2ccccc2-c2ccccc21 ZINC000004997211 170052360 /nfs/dbraw/zinc/05/23/60/170052360.db2.gz KESXIGOGWNSOGK-UHFFFAOYSA-N 1 0 253.345 3.335 50 0 CGAARO Cc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000005268614 170081761 /nfs/dbraw/zinc/08/17/61/170081761.db2.gz XLDHXYDHPOYSHZ-UHFFFAOYSA-N 1 0 277.371 3.471 50 0 CGAARO COc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386033 170281761 /nfs/dbraw/zinc/28/17/61/170281761.db2.gz RELAAWXYYQCVPO-MCIONIFRSA-N 1 0 290.407 3.000 50 0 CGAARO CCOc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008713983 170348600 /nfs/dbraw/zinc/34/86/00/170348600.db2.gz DXYMOYGRUSDJQN-UHFFFAOYSA-N 1 0 286.375 3.243 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccnc2)cc1 ZINC000010003136 170394938 /nfs/dbraw/zinc/39/49/38/170394938.db2.gz KQTAYPBUMBZFEX-UHFFFAOYSA-N 1 0 278.359 3.070 50 0 CGAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+](C)C)cc1 ZINC000010017923 170395510 /nfs/dbraw/zinc/39/55/10/170395510.db2.gz LZTWAPUISDAYKV-SFHVURJKSA-N 1 0 296.414 3.336 50 0 CGAARO CSc1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000013718244 170581583 /nfs/dbraw/zinc/58/15/83/170581583.db2.gz UKJAFEPLDXVKSC-UHFFFAOYSA-N 1 0 253.411 3.313 50 0 CGAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccnc1 ZINC000020122497 171002808 /nfs/dbraw/zinc/00/28/08/171002808.db2.gz DQXLGSQWUKXLST-ZDUSSCGKSA-N 1 0 265.360 3.456 50 0 CGAARO Cc1ccn(CC[NH+]2CCC(Oc3ccc(C)cc3)CC2)n1 ZINC000020449290 171207519 /nfs/dbraw/zinc/20/75/19/171207519.db2.gz SDYPIOZIBBRLPG-UHFFFAOYSA-N 1 0 299.418 3.043 50 0 CGAARO Cc1ccc(CN(C)C(=O)CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020599119 171266470 /nfs/dbraw/zinc/26/64/70/171266470.db2.gz MRPZOOWJOJOOBX-INIZCTEOSA-N 1 0 288.435 3.075 50 0 CGAARO Cc1cccc(CC[N@@H+]2CC[C@](O)(c3ccccc3)C2)c1 ZINC000020859592 171276556 /nfs/dbraw/zinc/27/65/56/171276556.db2.gz OMOCQWIOJILFQC-LJQANCHMSA-N 1 0 281.399 3.131 50 0 CGAARO [NH3+]CCCCCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000021011361 171287363 /nfs/dbraw/zinc/28/73/63/171287363.db2.gz CKWFIMYEXAIQBT-UHFFFAOYSA-N 1 0 279.771 3.452 50 0 CGAARO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000022217318 171376348 /nfs/dbraw/zinc/37/63/48/171376348.db2.gz ARVMPEBHNLZTOL-SNVBAGLBSA-N 1 0 258.296 3.098 50 0 CGAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc(OC)c1 ZINC000025357367 171455520 /nfs/dbraw/zinc/45/55/20/171455520.db2.gz KNUJQQWYTZFARC-KRWDZBQOSA-N 1 0 299.370 3.317 50 0 CGAARO CCc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1 ZINC000035258853 172090836 /nfs/dbraw/zinc/09/08/36/172090836.db2.gz WGRLQSOSGFGPFD-HNNXBMFYSA-N 1 0 260.425 3.213 50 0 CGAARO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc(Cl)c1OC ZINC000035273733 172094594 /nfs/dbraw/zinc/09/45/94/172094594.db2.gz FJQIOBOKGARUKG-MFKMUULPSA-N 1 0 299.798 3.014 50 0 CGAARO CC[C@H]([NH2+]Cc1cnn(C)c1)c1cccc(Cl)c1 ZINC000036921242 172805237 /nfs/dbraw/zinc/80/52/37/172805237.db2.gz QMWWISZWVPUWJI-AWEZNQCLSA-N 1 0 263.772 3.314 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000038011459 173979169 /nfs/dbraw/zinc/97/91/69/173979169.db2.gz GBTCPESQLYXSFO-MRXNPFEDSA-N 1 0 255.365 3.267 50 0 CGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(Cl)cc1 ZINC000040267903 174218403 /nfs/dbraw/zinc/21/84/03/174218403.db2.gz HVLYTAAZCAOVQH-RDJZCZTQSA-N 1 0 298.773 3.265 50 0 CGAARO CC[N@H+](CCOc1ccc(C=O)cc1)Cc1ccccc1 ZINC000044125647 175144124 /nfs/dbraw/zinc/14/41/24/175144124.db2.gz IMAAYNVIVFBKAC-UHFFFAOYSA-N 1 0 283.371 3.400 50 0 CGAARO CC(C)=C[C@H]1[C@H](C(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000048331857 175428158 /nfs/dbraw/zinc/42/81/58/175428158.db2.gz VSOVFAXFPZPMFS-JKSUJKDBSA-N 1 0 292.467 3.214 50 0 CGAARO Cc1noc(C)c1CN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000071886753 176290299 /nfs/dbraw/zinc/29/02/99/176290299.db2.gz JTWLAWHZLCKESN-MRXNPFEDSA-N 1 0 291.439 3.132 50 0 CGAARO COc1ccc(OC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000072135488 176322442 /nfs/dbraw/zinc/32/24/42/176322442.db2.gz KTHHTUPIBPHYAD-UHFFFAOYSA-N 1 0 298.386 3.134 50 0 CGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(C)ccc1OC ZINC000072298501 176363999 /nfs/dbraw/zinc/36/39/99/176363999.db2.gz WJRMKLYLJSGZMK-INIZCTEOSA-N 1 0 299.418 3.387 50 0 CGAARO c1ccc(CC[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299970 176364720 /nfs/dbraw/zinc/36/47/20/176364720.db2.gz FYYYPNHUVQOVSP-MRXNPFEDSA-N 1 0 297.402 3.369 50 0 CGAARO CC(C)c1cnc(C[NH2+][C@@](C)(CO)C2CCCCC2)o1 ZINC000077656793 177291801 /nfs/dbraw/zinc/29/18/01/177291801.db2.gz NQHQUPPMDVHBBF-INIZCTEOSA-N 1 0 280.412 3.219 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000078553976 177353871 /nfs/dbraw/zinc/35/38/71/177353871.db2.gz MITDHQYGGJSYRT-UHFFFAOYSA-N 1 0 261.752 3.122 50 0 CGAARO COCc1csc(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000657350099 419256329 /nfs/dbraw/zinc/25/63/29/419256329.db2.gz ZWFFRRZEJADYMQ-NSHDSACASA-N 1 0 277.389 3.451 50 0 CGAARO Cc1nnc(-c2cccc(-c3ccc(F)cc3C[NH3+])c2)o1 ZINC000096151140 260563136 /nfs/dbraw/zinc/56/31/36/260563136.db2.gz SLYNRGAEWHIZDP-UHFFFAOYSA-N 1 0 283.306 3.310 50 0 CGAARO Cc1oc2ccccc2c1CN[C@@H](C)c1nccn1C ZINC000184722015 270060242 /nfs/dbraw/zinc/06/02/42/270060242.db2.gz HVGDUCGPJMAHDE-NSHDSACASA-N 1 0 269.348 3.326 50 0 CGAARO C[C@@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)[NH+]1CCCC1 ZINC000000347605 274202161 /nfs/dbraw/zinc/20/21/61/274202161.db2.gz ZGDMLUXKVUAPMH-ZDUSSCGKSA-N 1 0 298.430 3.087 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000000174658 274252638 /nfs/dbraw/zinc/25/26/38/274252638.db2.gz YPPYOQYQJOKSGG-CXAGYDPISA-N 1 0 269.344 3.005 50 0 CGAARO OC[C@]1([NH2+]Cc2cccc3[nH]ccc32)CCc2ccccc21 ZINC000095429784 275050622 /nfs/dbraw/zinc/05/06/22/275050622.db2.gz NNGQIDMCQQBBER-LJQANCHMSA-N 1 0 292.382 3.092 50 0 CGAARO c1cc(Nc2ncnc3sc4c(c32)CCC4)cc[nH+]1 ZINC000090450369 275064744 /nfs/dbraw/zinc/06/47/44/275064744.db2.gz VUMKKNQXNAGPRJ-UHFFFAOYSA-N 1 0 268.345 3.319 50 0 CGAARO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000185082475 276029445 /nfs/dbraw/zinc/02/94/45/276029445.db2.gz AXWWYMRDKMIHOK-PBHICJAKSA-N 1 0 269.392 3.459 50 0 CGAARO C[NH2+]Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000067801439 277286648 /nfs/dbraw/zinc/28/66/48/277286648.db2.gz ZUSYFZWLOBVRLZ-UHFFFAOYSA-N 1 0 257.177 3.444 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)[NH2+]CC2 ZINC000019300580 277394455 /nfs/dbraw/zinc/39/44/55/277394455.db2.gz CTOWTEDOGJLWJS-QGZVFWFLSA-N 1 0 287.334 3.078 50 0 CGAARO CC(C)OC1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000097084644 277673470 /nfs/dbraw/zinc/67/34/70/277673470.db2.gz USLABRYOPJHLAN-MOKVOYLWSA-N 1 0 257.443 3.208 50 0 CGAARO COc1ccc2[nH+]c(C)cc(N3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000006823820 278002417 /nfs/dbraw/zinc/00/24/17/278002417.db2.gz LMJXRJNCKLMDRB-STQMWFEESA-N 1 0 286.375 3.165 50 0 CGAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1cn2ccccc2n1 ZINC000096441752 278161800 /nfs/dbraw/zinc/16/18/00/278161800.db2.gz IPYKMTAWIGWYEB-KBPBESRZSA-N 1 0 275.421 3.050 50 0 CGAARO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000170088923 278391056 /nfs/dbraw/zinc/39/10/56/278391056.db2.gz HISUJKSCOSGBHZ-YPMHNXCESA-N 1 0 251.370 3.044 50 0 CGAARO CC1(C)Cc2occc2[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000090800527 278399608 /nfs/dbraw/zinc/39/96/08/278399608.db2.gz VGBADXSZQVYSPC-ORHYLEIMSA-N 1 0 263.381 3.186 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1 ZINC000012436714 278509142 /nfs/dbraw/zinc/50/91/42/278509142.db2.gz RJXDBTDFBZRPHG-IECFSIQFSA-N 1 0 293.451 3.452 50 0 CGAARO C[C@H](c1ccc(-c2ncc(F)cn2)cc1)[NH+]1CCCC1 ZINC000426719825 279594894 /nfs/dbraw/zinc/59/48/94/279594894.db2.gz IHDLJEBUILNDKB-GFCCVEGCSA-N 1 0 271.339 3.440 50 0 CGAARO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H]2CCOC2)cc1 ZINC000334449803 281004083 /nfs/dbraw/zinc/00/40/83/281004083.db2.gz QTRPCMJRZDMVFC-GDBMZVCRSA-N 1 0 277.433 3.121 50 0 CGAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000222113920 281357598 /nfs/dbraw/zinc/35/75/98/281357598.db2.gz STYHYTLKJRDBJI-RKVPGOIHSA-N 1 0 271.470 3.379 50 0 CGAARO COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N@@H+](C)CC3 ZINC000003201907 295276659 /nfs/dbraw/zinc/27/66/59/295276659.db2.gz MKXZASYAUGDDCJ-NJAFHUGGSA-N 1 0 271.404 3.383 50 0 fda CGAARO Cc1cc(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)n(C)n1 ZINC000055088423 301272167 /nfs/dbraw/zinc/27/21/67/301272167.db2.gz QZPDQBPKVPTCNX-CQSZACIVSA-N 1 0 275.396 3.368 50 0 CGAARO C[C@@H](c1ccc(-c2ccncc2F)cc1)[NH+]1CCOCC1 ZINC000534666998 328345659 /nfs/dbraw/zinc/34/56/59/328345659.db2.gz HTXJHOGHMWOIIK-ZDUSSCGKSA-N 1 0 286.350 3.281 50 0 CGAARO Fc1ccc(F)c(C2([NH2+][C@H]3CCCSC3)CC2)c1 ZINC000534662745 328350676 /nfs/dbraw/zinc/35/06/76/328350676.db2.gz PPWKQLFPAAWRAL-NSHDSACASA-N 1 0 269.360 3.439 50 0 CGAARO CC(C)CC[C@@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000381726934 336071886 /nfs/dbraw/zinc/07/18/86/336071886.db2.gz LADOLPZFBQOJGX-QGZVFWFLSA-N 1 0 261.409 3.483 50 0 CGAARO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccn1 ZINC000096500630 533972673 /nfs/dbraw/zinc/97/26/73/533972673.db2.gz PZUJCWBWZXOFPA-HRCADAONSA-N 1 0 287.451 3.385 50 0 CGAARO Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1C ZINC000012198880 525320896 /nfs/dbraw/zinc/32/08/96/525320896.db2.gz DVBLRVGQWNNTHW-SFHVURJKSA-N 1 0 298.434 3.113 50 0 CGAARO Cc1cc([C@@H]2CCC[N@H+](Cc3ccncc3Cl)C2)[nH]n1 ZINC000084111337 567030282 /nfs/dbraw/zinc/03/02/82/567030282.db2.gz QGRACUCKBBOOLG-CYBMUJFWSA-N 1 0 290.798 3.146 50 0 CGAARO C[C@H](C[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12)c1ccccc1 ZINC000299872769 567889095 /nfs/dbraw/zinc/88/90/95/567889095.db2.gz HIYCDSVCTRYFJH-LAVFITLUSA-N 1 0 273.420 3.463 50 0 CGAARO C[Si](C)(C)c1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000195788831 572525726 /nfs/dbraw/zinc/52/57/26/572525726.db2.gz UIYGROSDSAAWBE-HNNXBMFYSA-N 1 0 284.479 3.167 50 0 CGAARO COCCC[NH2+][C@@H](C)CC(C)(C)c1ccc(C)o1 ZINC000005031870 619229731 /nfs/dbraw/zinc/22/97/31/619229731.db2.gz GHWUGXLDFNKFED-LBPRGKRZSA-N 1 0 253.386 3.270 50 0 CGAARO CC(C)c1noc(CC[NH2+][C@@H](C)c2cccc(F)c2)n1 ZINC000089578841 620240281 /nfs/dbraw/zinc/24/02/81/620240281.db2.gz GMYUUWBXUXGRRR-NSHDSACASA-N 1 0 277.343 3.225 50 0 CGAARO [NH3+]CC1(Sc2ccc(Br)cc2)CC1 ZINC000085079785 625793388 /nfs/dbraw/zinc/79/33/88/625793388.db2.gz DSYUDWWTYFPDSK-UHFFFAOYSA-N 1 0 258.184 3.033 50 0 CGAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccccc2)o1 ZINC000864091447 629767035 /nfs/dbraw/zinc/76/70/35/629767035.db2.gz VUVBSIPKOBLLNK-GOEBONIOSA-N 1 0 297.402 3.010 50 0 CGAARO C/C=C/C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000095958151 640817900 /nfs/dbraw/zinc/81/79/00/640817900.db2.gz BEJSSQPWJDGUML-UZYOAWRESA-N 1 0 282.428 3.141 50 0 CGAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000019731188 641037900 /nfs/dbraw/zinc/03/79/00/641037900.db2.gz HUGDGVDVKVIHKB-MRXNPFEDSA-N 1 0 299.418 3.174 50 0 CGAARO Cc1ccc(NCCC[NH2+][C@H](C)C2CCCC2)nc1 ZINC000820735751 800455046 /nfs/dbraw/zinc/45/50/46/800455046.db2.gz KXVRHQABXOXPBJ-CQSZACIVSA-N 1 0 261.413 3.360 50 0 CGAARO CCN1C[C@@H](CNc2cc[nH+]c3c(C)c(C)ccc23)CC1=O ZINC000823102370 800465588 /nfs/dbraw/zinc/46/55/88/800465588.db2.gz GJQHCRPWBHUMIW-CQSZACIVSA-N 1 0 297.402 3.132 50 0 CGAARO Cc1nc([C@@H](C)[N@H+](C)C2CCCCC2)n(-c2cccnc2)n1 ZINC000823652670 800467521 /nfs/dbraw/zinc/46/75/21/800467521.db2.gz ZLAXYQTUQXEVNO-CYBMUJFWSA-N 1 0 299.422 3.296 50 0 CGAARO CN(C/C=C/c1ccccc1)C[C@H]1CCCC[N@@H+]1C ZINC000952863009 800684492 /nfs/dbraw/zinc/68/44/92/800684492.db2.gz UEMHYXPOHQCXSX-VGMNTSGFSA-N 1 0 258.409 3.116 50 0 CGAARO Cc1cc(CN(C)CC[C@H](C)[NH+]2CCCC2)oc1C ZINC000952869225 800685166 /nfs/dbraw/zinc/68/51/66/800685166.db2.gz MRLHTNXRFFEZBI-AWEZNQCLSA-N 1 0 264.413 3.203 50 0 CGAARO C[NH+](C)C[C@@H]1CCN(c2ccc3cccc(Cl)c3n2)C1 ZINC001506410458 937989815 /nfs/dbraw/zinc/98/98/15/937989815.db2.gz KWZREJRFEGXWLI-LBPRGKRZSA-N 1 0 289.810 3.276 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCSc2ccccc2)n1 ZINC001506424287 937990191 /nfs/dbraw/zinc/99/01/91/937990191.db2.gz INOAVRWUPRBSPO-AWEZNQCLSA-N 1 0 289.448 3.270 50 0 CGAARO COCCC[N@H+](C)C[C@@]1(c2ccccc2)CC1(C)C ZINC001529195257 938071593 /nfs/dbraw/zinc/07/15/93/938071593.db2.gz HKISUNIPFBUVRC-QGZVFWFLSA-N 1 0 261.409 3.323 50 0 CGAARO CC(C)n1cc(NC(=O)C[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001529191477 938071657 /nfs/dbraw/zinc/07/16/57/938071657.db2.gz ZWACKTORXXANSE-AWEZNQCLSA-N 1 0 292.427 3.057 50 0 CGAARO CC(C)c1nnc(C[NH2+]C2CCC(C(C)C)CC2)n1C ZINC000096003718 185061999 /nfs/dbraw/zinc/06/19/99/185061999.db2.gz UREVGYYPVCCKKU-UHFFFAOYSA-N 1 0 278.444 3.243 50 0 CGAARO CC[N@@H+]1CC[C@H]([C@](CC)(OC(C)=O)c2ccccc2)C1 ZINC000071772238 345404769 /nfs/dbraw/zinc/40/47/69/345404769.db2.gz WRNWVPCVFAXKQV-DLBZAZTESA-N 1 0 275.392 3.197 50 0 CGAARO Cc1ccoc1C(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000072281697 345408145 /nfs/dbraw/zinc/40/81/45/345408145.db2.gz HIIFXDGDUOAMSY-UHFFFAOYSA-N 1 0 285.347 3.226 50 0 CGAARO O=C(c1ccoc1)N1CCC([NH2+]C2CCCCCC2)CC1 ZINC000075771114 345522678 /nfs/dbraw/zinc/52/26/78/345522678.db2.gz DBWDNFQDPSGJPR-UHFFFAOYSA-N 1 0 290.407 3.197 50 0 CGAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000089910018 345776485 /nfs/dbraw/zinc/77/64/85/345776485.db2.gz IGGWDIYMJQVBRP-DOMZBBRYSA-N 1 0 298.390 3.283 50 0 CGAARO CC(C)c1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000095467001 345899956 /nfs/dbraw/zinc/89/99/56/345899956.db2.gz ZFNLINVVDXPKCA-ZIAGYGMSSA-N 1 0 289.423 3.366 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)cc1C ZINC000195558110 346274024 /nfs/dbraw/zinc/27/40/24/346274024.db2.gz MBLBOWYKHTVRJV-GDBMZVCRSA-N 1 0 299.418 3.174 50 0 CGAARO CC(C)[NH+](CCNc1nccc(-c2ccccn2)n1)C(C)C ZINC000097744674 185659903 /nfs/dbraw/zinc/65/99/03/185659903.db2.gz BVPKUOCIWYWAJC-UHFFFAOYSA-N 1 0 299.422 3.069 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC000257365867 346400929 /nfs/dbraw/zinc/40/09/29/346400929.db2.gz XKEAKWFAOUVJFU-HZPDHXFCSA-N 1 0 278.440 3.042 50 0 CGAARO C[C@H](CCSc1ccc(F)cc1)[NH2+]CC1(CO)CCC1 ZINC000584891410 346722272 /nfs/dbraw/zinc/72/22/72/346722272.db2.gz RSODLYQORZTJGX-CYBMUJFWSA-N 1 0 297.439 3.449 50 0 CGAARO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC(N)=O)cc1 ZINC000328588586 201947913 /nfs/dbraw/zinc/94/79/13/201947913.db2.gz JKDZYZIJBQNIIF-GJZGRUSLSA-N 1 0 276.380 3.235 50 0 CGAARO Cc1cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)ccc1F ZINC000339458885 215187327 /nfs/dbraw/zinc/18/73/27/215187327.db2.gz CJLZVAYHRGFAQY-NSHDSACASA-N 1 0 260.312 3.086 50 0 CGAARO CC[C@H]([NH2+]CCc1ccccn1)c1ccc2c(c1)OCCO2 ZINC000089947850 179889313 /nfs/dbraw/zinc/88/93/13/179889313.db2.gz CNTSMGXVRAMNIZ-INIZCTEOSA-N 1 0 298.386 3.136 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](CC)C1 ZINC000089948967 179890566 /nfs/dbraw/zinc/89/05/66/179890566.db2.gz GZWUECIEPHICFO-DGCLKSJQSA-N 1 0 298.814 3.060 50 0 CGAARO CS[C@@H](C)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000090725480 180032751 /nfs/dbraw/zinc/03/27/51/180032751.db2.gz GWEGWPHTQHABPT-WDEREUQCSA-N 1 0 266.410 3.047 50 0 CGAARO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000104620408 186010855 /nfs/dbraw/zinc/01/08/55/186010855.db2.gz PWMGLQXNLNSDGX-CHWSQXEVSA-N 1 0 294.826 3.077 50 0 CGAARO C[C@H]1C[N@H+](CCc2ccncc2)[C@@H](c2ccccc2)CO1 ZINC000110642658 186309176 /nfs/dbraw/zinc/30/91/76/186309176.db2.gz JUOAKKYALIMDJI-MAUKXSAKSA-N 1 0 282.387 3.086 50 0 CGAARO Cc1ncc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000336477784 213348539 /nfs/dbraw/zinc/34/85/39/213348539.db2.gz PJKBNFAZBKGCCI-HNNXBMFYSA-N 1 0 287.794 3.428 50 0 CGAARO Cc1cccc(C2CC([NH2+]CC[S@](=O)C(C)(C)C)C2)c1 ZINC000154212038 188129405 /nfs/dbraw/zinc/12/94/05/188129405.db2.gz LBQLTJCRUHIBMT-ALLBUHFWSA-N 1 0 293.476 3.378 50 0 CGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154887962 188167840 /nfs/dbraw/zinc/16/78/40/188167840.db2.gz SFLMJOHTRIIIBP-KRWDZBQOSA-N 1 0 298.434 3.113 50 0 CGAARO Cc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)o1 ZINC000170599064 188674312 /nfs/dbraw/zinc/67/43/12/188674312.db2.gz WTLWOKVZEPGSSX-UHFFFAOYSA-N 1 0 292.423 3.363 50 0 CGAARO CC[C@@H](C[NH2+][C@@H]1CCn2ccnc21)Oc1ccccc1C ZINC000296862009 200017748 /nfs/dbraw/zinc/01/77/48/200017748.db2.gz NOZRXFJMBHMYML-LSDHHAIUSA-N 1 0 285.391 3.084 50 0 CGAARO c1cc(CN2CCC[N@@H+](C3CCCC3)CC2)cs1 ZINC000179772269 189219312 /nfs/dbraw/zinc/21/93/12/189219312.db2.gz SCZHUXNMDOHUAC-UHFFFAOYSA-N 1 0 264.438 3.198 50 0 CGAARO C[C@H](c1cccc(-c2ccnc(N)c2)c1)[NH+]1CCCC1 ZINC000215075121 189690676 /nfs/dbraw/zinc/69/06/76/189690676.db2.gz GKRLRALBOIZVLM-CYBMUJFWSA-N 1 0 267.376 3.488 50 0 CGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000000066352 368281862 /nfs/dbraw/zinc/28/18/62/368281862.db2.gz IPWVAKCJPRPQBU-AWEZNQCLSA-N 1 0 260.381 3.116 50 0 CGAARO CC[n+]1ccc(C)c2cc([S@@](=O)C(F)(F)F)ccc21 ZINC000000241495 368323411 /nfs/dbraw/zinc/32/34/11/368323411.db2.gz SICAOEAQGSVEDG-IBGZPJMESA-N 1 0 288.314 3.083 50 0 CGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000000316984 368340436 /nfs/dbraw/zinc/34/04/36/368340436.db2.gz LUXAZHNJKKBWFF-DOTOQJQBSA-N 1 0 286.419 3.023 50 0 CGAARO COc1cc2c(cc1OC)C1(CCCCC1)C[N@H+](C)C2 ZINC000000330713 368342196 /nfs/dbraw/zinc/34/21/96/368342196.db2.gz DIWSPKIMFUUJKL-UHFFFAOYSA-N 1 0 275.392 3.351 50 0 biogenic CGAARO O[C@@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 ZINC000000337406 368342530 /nfs/dbraw/zinc/34/25/30/368342530.db2.gz SUUCMHHUDJQGKG-MSOLQXFVSA-N 1 0 267.372 3.217 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000001462698 368416100 /nfs/dbraw/zinc/41/61/00/368416100.db2.gz GBBKLVNISBEAMH-IXDOHACOSA-N 1 0 291.435 3.306 50 0 CGAARO CCCOc1cccc(NC(=O)OC2CC[NH+](C)CC2)c1 ZINC000002049845 368445876 /nfs/dbraw/zinc/44/58/76/368445876.db2.gz SBAXVWZTDUTJQG-UHFFFAOYSA-N 1 0 292.379 3.118 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000002328782 368451718 /nfs/dbraw/zinc/45/17/18/368451718.db2.gz ORFOKBUOUVKYBA-UHFFFAOYSA-N 1 0 274.408 3.236 50 0 CGAARO COc1ccccc1C(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514882 368458911 /nfs/dbraw/zinc/45/89/11/368458911.db2.gz AXZRJLGWZIDHES-UHFFFAOYSA-N 1 0 293.366 3.298 50 0 CGAARO CC(C)c1ccccc1OCCCCCC[NH2+]CCO ZINC000003315103 368502259 /nfs/dbraw/zinc/50/22/59/368502259.db2.gz SCAJMFIEICUEJB-UHFFFAOYSA-N 1 0 279.424 3.331 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2OC)cc1 ZINC000002898376 368485699 /nfs/dbraw/zinc/48/56/99/368485699.db2.gz YWOYTCMYNMSXGN-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO CCCC[NH2+]CCOCCOc1c(C)cccc1Cl ZINC000002981098 368486393 /nfs/dbraw/zinc/48/63/93/368486393.db2.gz LWBXPGOYMLGZSW-UHFFFAOYSA-N 1 0 285.815 3.434 50 0 CGAARO Clc1ccc(OCCC[NH2+]Cc2ccco2)cc1 ZINC000003003745 368487883 /nfs/dbraw/zinc/48/78/83/368487883.db2.gz NNEHZJMZULADIZ-UHFFFAOYSA-N 1 0 265.740 3.492 50 0 CGAARO Cc1ccc(OCC[NH2+]Cc2ccccc2)c(C)c1 ZINC000003002201 368487912 /nfs/dbraw/zinc/48/79/12/368487912.db2.gz MSADMIDVXOMMAV-UHFFFAOYSA-N 1 0 255.361 3.472 50 0 CGAARO Cc1ccccc1C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004024771 368526959 /nfs/dbraw/zinc/52/69/59/368526959.db2.gz BKGMTYVUVOSNDX-DOTOQJQBSA-N 1 0 287.403 3.416 50 0 biogenic,in-vitro CGAARO CCN(CC)C(=O)c1cccc(C[NH+](CC)CC)c1 ZINC000004664812 368554840 /nfs/dbraw/zinc/55/48/40/368554840.db2.gz GMAQYUXJRBKZEX-UHFFFAOYSA-N 1 0 262.397 3.010 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1cccc(Cl)c1Cl ZINC000004774901 368558781 /nfs/dbraw/zinc/55/87/81/368558781.db2.gz MLPBADJKOWVTQY-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCC3)c2cc1C ZINC000005164649 368561650 /nfs/dbraw/zinc/56/16/50/368561650.db2.gz FRLVMGSEMKKDGM-UHFFFAOYSA-N 1 0 271.360 3.396 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000004271657 368539830 /nfs/dbraw/zinc/53/98/30/368539830.db2.gz PSBARZFWRFGUFN-UHFFFAOYSA-N 1 0 299.777 3.087 50 0 CGAARO C[C@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000004428180 368545929 /nfs/dbraw/zinc/54/59/29/368545929.db2.gz CYSKFZFCHQFFTL-YHXWVGAOSA-N 1 0 263.425 3.048 50 0 CGAARO CC(C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328704 368579967 /nfs/dbraw/zinc/57/99/67/368579967.db2.gz WRCNPIQUNGJELY-UHFFFAOYSA-N 1 0 274.408 3.058 50 0 CGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000005794685 368565175 /nfs/dbraw/zinc/56/51/75/368565175.db2.gz VFUKWJKQXBTODT-OAHLLOKOSA-N 1 0 279.424 3.200 50 0 CGAARO COC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015423822 368694522 /nfs/dbraw/zinc/69/45/22/368694522.db2.gz AAFDKWLURWIPAP-UHFFFAOYSA-N 1 0 281.783 3.115 50 0 CGAARO Cc1ccccc1[C@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000121817479 370898644 /nfs/dbraw/zinc/89/86/44/370898644.db2.gz ARYSQFIALFVZJX-AWEZNQCLSA-N 1 0 265.360 3.494 50 0 CGAARO CCc1c(C)scc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016605357 368717360 /nfs/dbraw/zinc/71/73/60/368717360.db2.gz NVUUSIHIMSXXMD-UHFFFAOYSA-N 1 0 294.464 3.222 50 0 CGAARO Cc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000014189215 368676710 /nfs/dbraw/zinc/67/67/10/368676710.db2.gz XBKXPUPFTZFPKU-ZIAGYGMSSA-N 1 0 290.432 3.377 50 0 CGAARO Cc1ccccc1OCCSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000014189213 368677151 /nfs/dbraw/zinc/67/71/51/368677151.db2.gz XBKXPUPFTZFPKU-KBPBESRZSA-N 1 0 290.432 3.377 50 0 CGAARO Cc1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000014631365 368682382 /nfs/dbraw/zinc/68/23/82/368682382.db2.gz LSEHVYIJEZGXFV-LLVKDONJSA-N 1 0 284.197 3.136 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000014964802 368687325 /nfs/dbraw/zinc/68/73/25/368687325.db2.gz TXOKKCWEWMXAFP-HNNXBMFYSA-N 1 0 250.361 3.358 50 0 CGAARO C[C@H]([NH2+]Cc1cnn(C)c1)c1cccc2ccccc21 ZINC000017316348 368731135 /nfs/dbraw/zinc/73/11/35/368731135.db2.gz XCVJIXXDXCFBNJ-ZDUSSCGKSA-N 1 0 265.360 3.424 50 0 CGAARO c1c(C2CCCC2)nnn1CC1CC[NH+](C2CCC2)CC1 ZINC000019595555 368758822 /nfs/dbraw/zinc/75/88/22/368758822.db2.gz JVSHXUMNKQGWJC-UHFFFAOYSA-N 1 0 288.439 3.200 50 0 CGAARO CC(C)c1ccc([C@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019682513 368760281 /nfs/dbraw/zinc/76/02/81/368760281.db2.gz OYCVEBQMDGSXGY-AWEZNQCLSA-N 1 0 278.396 3.335 50 0 CGAARO c1cc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2[nH]1 ZINC000019737380 368763175 /nfs/dbraw/zinc/76/31/75/368763175.db2.gz LMZJQHDRIGPUGC-UHFFFAOYSA-N 1 0 280.327 3.186 50 0 CGAARO Cc1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019361663 368750452 /nfs/dbraw/zinc/75/04/52/368750452.db2.gz NGBBBABDNNOQAO-GOSISDBHSA-N 1 0 284.447 3.469 50 0 CGAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936125 368814221 /nfs/dbraw/zinc/81/42/21/368814221.db2.gz XVCWYWQVZDVTBI-CQSZACIVSA-N 1 0 297.240 3.023 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)o1)c1ccsc1 ZINC000023133367 368817424 /nfs/dbraw/zinc/81/74/24/368817424.db2.gz ADYHOOHNFXJBEH-JTQLQIEISA-N 1 0 298.795 3.027 50 0 CGAARO Cc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)o1 ZINC000023257835 368818109 /nfs/dbraw/zinc/81/81/09/368818109.db2.gz JPAIHELYEWSNCM-OAHLLOKOSA-N 1 0 274.364 3.108 50 0 CGAARO Cc1ccsc1C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000023281028 368820091 /nfs/dbraw/zinc/82/00/91/368820091.db2.gz PBDMGOBURXCKLK-CQSZACIVSA-N 1 0 261.390 3.222 50 0 CGAARO Clc1ccccc1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000030901009 368908471 /nfs/dbraw/zinc/90/84/71/368908471.db2.gz RORLZDGQWFQBDF-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)CC2(C)CC2)c(C)c1 ZINC000032578224 368935412 /nfs/dbraw/zinc/93/54/12/368935412.db2.gz NXUOFEBMOXRXAC-HZPDHXFCSA-N 1 0 291.435 3.211 50 0 CGAARO O=C(C[C@H]1C=CCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911482 368952582 /nfs/dbraw/zinc/95/25/82/368952582.db2.gz LMRFKEOEDQVXBQ-FUHWJXTLSA-N 1 0 298.430 3.124 50 0 CGAARO C[NH2+]C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000035102083 368998068 /nfs/dbraw/zinc/99/80/68/368998068.db2.gz MGUFSFOYKKOOSU-UHFFFAOYSA-N 1 0 257.333 3.013 50 0 CGAARO CCC[C@H](O)C[N@H+](CCC)Cc1cccc(OC)c1 ZINC000036100226 369009347 /nfs/dbraw/zinc/00/93/47/369009347.db2.gz MOBAJTMAVXZVLW-HNNXBMFYSA-N 1 0 265.397 3.068 50 0 CGAARO O=C(C[NH2+]C1CCCCCC1)Nc1ccc(F)cc1 ZINC000036962635 369043228 /nfs/dbraw/zinc/04/32/28/369043228.db2.gz KJNWHKKVISYEMC-UHFFFAOYSA-N 1 0 264.344 3.077 50 0 CGAARO c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000037140871 369067681 /nfs/dbraw/zinc/06/76/81/369067681.db2.gz BBRZAKQJIIXVIB-INIZCTEOSA-N 1 0 288.460 3.440 50 0 CGAARO c1nc2ccccc2n1CC[NH2+]C1CCCCCC1 ZINC000037927425 369126439 /nfs/dbraw/zinc/12/64/39/369126439.db2.gz NSXCOFWQUZITSB-UHFFFAOYSA-N 1 0 257.381 3.349 50 0 CGAARO CCOc1ccccc1N1CC[NH+](CC=C(C)C)CC1 ZINC000039987682 369151956 /nfs/dbraw/zinc/15/19/56/369151956.db2.gz LDGVWUSYZLSVSR-UHFFFAOYSA-N 1 0 274.408 3.174 50 0 CGAARO CC(C)c1cc(Cl)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770926 369230815 /nfs/dbraw/zinc/23/08/15/369230815.db2.gz DEJUTKLBMTVOMG-NSHDSACASA-N 1 0 253.773 3.452 50 0 CGAARO Clc1cccc(COCCC2CC[NH2+]CC2)c1 ZINC000042771903 369230963 /nfs/dbraw/zinc/23/09/63/369230963.db2.gz VEYWZPXSZDGDKB-UHFFFAOYSA-N 1 0 253.773 3.246 50 0 CGAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000493796127 244232494 /nfs/dbraw/zinc/23/24/94/244232494.db2.gz TVXJXEJYOIBZCF-MGVUPCTHSA-N 1 0 298.839 3.001 50 0 CGAARO CC(C)CN(C(=O)c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000053223305 369480429 /nfs/dbraw/zinc/48/04/29/369480429.db2.gz NAGMWRCXEBPILW-UHFFFAOYSA-N 1 0 292.398 3.018 50 0 CGAARO Cc1ccsc1C[N@@H+](Cc1cnc[nH]1)CC(C)C ZINC000055099904 369510940 /nfs/dbraw/zinc/51/09/40/369510940.db2.gz GDNOORUVTMEHTE-UHFFFAOYSA-N 1 0 263.410 3.438 50 0 CGAARO Fc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055543328 369518877 /nfs/dbraw/zinc/51/88/77/369518877.db2.gz KSZGBCWNMNNBRC-UHFFFAOYSA-N 1 0 270.351 3.148 50 0 CGAARO Fc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055543096 369519009 /nfs/dbraw/zinc/51/90/09/369519009.db2.gz VOONTWFRLJYNOE-UHFFFAOYSA-N 1 0 270.351 3.148 50 0 CGAARO COC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000056908377 369529943 /nfs/dbraw/zinc/52/99/43/369529943.db2.gz HHQDSXJKEVQZHB-CYBMUJFWSA-N 1 0 298.224 3.308 50 0 CGAARO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000057862447 369548420 /nfs/dbraw/zinc/54/84/20/369548420.db2.gz VCZAULWGJJJZRE-QGZVFWFLSA-N 1 0 286.419 3.128 50 0 CGAARO C[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)Cn1ccnc1 ZINC000129541847 370991466 /nfs/dbraw/zinc/99/14/66/370991466.db2.gz OUPKWFSLEXWTCY-FRRDWIJNSA-N 1 0 289.345 3.230 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000058307094 369563257 /nfs/dbraw/zinc/56/32/57/369563257.db2.gz FFRQZDNQHSYNRE-INIZCTEOSA-N 1 0 288.435 3.154 50 0 CGAARO CCN(CC)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000058393893 369567419 /nfs/dbraw/zinc/56/74/19/369567419.db2.gz YRHNBKQQSWOABH-UHFFFAOYSA-N 1 0 276.424 3.399 50 0 CGAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680886 369605950 /nfs/dbraw/zinc/60/59/50/369605950.db2.gz ABSJJRMEYARXHF-ZDUSSCGKSA-N 1 0 298.415 3.185 50 0 CGAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000065386448 369670853 /nfs/dbraw/zinc/67/08/53/369670853.db2.gz INWVMTAMIHFZOJ-QGZVFWFLSA-N 1 0 290.407 3.036 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000064666918 369659870 /nfs/dbraw/zinc/65/98/70/369659870.db2.gz WDYGLTAMMUKARO-OAHLLOKOSA-N 1 0 272.348 3.329 50 0 CGAARO Cc1ccc(NC(=O)CC[NH2+]C2CCCC2)c(C)c1 ZINC000065493403 369679541 /nfs/dbraw/zinc/67/95/41/369679541.db2.gz MGWOLRLWCCLYOE-UHFFFAOYSA-N 1 0 260.381 3.164 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(-c2ccco2)on1 ZINC000065508010 369681349 /nfs/dbraw/zinc/68/13/49/369681349.db2.gz HQNBIVZUEASUEY-LLVKDONJSA-N 1 0 278.352 3.228 50 0 CGAARO Cc1cnccc1C[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067655124 369722011 /nfs/dbraw/zinc/72/20/11/369722011.db2.gz MJDVPZMKDGBVNK-UHFFFAOYSA-N 1 0 292.386 3.208 50 0 CGAARO Cc1ccc2[nH]cc(C[N@H+](C)C[C@H]3CCCCO3)c2c1 ZINC000067968010 369738545 /nfs/dbraw/zinc/73/85/45/369738545.db2.gz OMSJAESOMLJRFE-OAHLLOKOSA-N 1 0 272.392 3.477 50 0 CGAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000072274479 369817770 /nfs/dbraw/zinc/81/77/70/369817770.db2.gz MNBOCJLWLWSQRH-HNNXBMFYSA-N 1 0 284.407 3.200 50 0 CGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC000078947921 369957553 /nfs/dbraw/zinc/95/75/53/369957553.db2.gz FZUWAYQASXMSGK-ROUUACIJSA-N 1 0 282.387 3.170 50 0 CGAARO c1ccc([C@@H](C[NH+]2CCCCC2)NCc2ccncc2)cc1 ZINC000075943911 369922030 /nfs/dbraw/zinc/92/20/30/369922030.db2.gz CQWROOYBRUOBIU-LJQANCHMSA-N 1 0 295.430 3.398 50 0 CGAARO CC(C)(C)C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000089643048 370045174 /nfs/dbraw/zinc/04/51/74/370045174.db2.gz ZJFJAAQTSCYQDP-UHFFFAOYSA-N 1 0 257.381 3.067 50 0 CGAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000085630496 370019516 /nfs/dbraw/zinc/01/95/16/370019516.db2.gz GYUUXNKKYVEWHG-JJXSEGSLSA-N 1 0 257.377 3.077 50 0 CGAARO CSCc1cc(F)ccc1C[NH2+]Cc1cccnc1 ZINC000088751793 370036825 /nfs/dbraw/zinc/03/68/25/370036825.db2.gz IQIOCARUPXFIGN-UHFFFAOYSA-N 1 0 276.380 3.374 50 0 CGAARO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C)nc2C)c1 ZINC000089626759 370044576 /nfs/dbraw/zinc/04/45/76/370044576.db2.gz GHBBSRXMHUTAKF-UHFFFAOYSA-N 1 0 297.402 3.321 50 0 CGAARO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@H]1CCCCO1 ZINC000092427729 370096786 /nfs/dbraw/zinc/09/67/86/370096786.db2.gz XYWUYWJWSGDZAZ-GFCCVEGCSA-N 1 0 271.763 3.480 50 0 CGAARO COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000089904842 370050093 /nfs/dbraw/zinc/05/00/93/370050093.db2.gz TYBUYTBFPPZYOY-AWEZNQCLSA-N 1 0 295.386 3.236 50 0 CGAARO [NH3+]C1(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCC1 ZINC000094294626 370166785 /nfs/dbraw/zinc/16/67/85/370166785.db2.gz JINULFWTEAOPPW-CQSZACIVSA-N 1 0 292.810 3.275 50 0 CGAARO c1cn(CC2CCC2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000095359860 370178991 /nfs/dbraw/zinc/17/89/91/370178991.db2.gz MSOYSEWGMRJLEA-MRXNPFEDSA-N 1 0 296.418 3.462 50 0 CGAARO COCc1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)ncn1 ZINC000097076244 370221673 /nfs/dbraw/zinc/22/16/73/370221673.db2.gz KVJJFKBCDDZGQX-AWEZNQCLSA-N 1 0 297.402 3.447 50 0 CGAARO CC(C)Oc1ccc([C@@H]2CCC[C@H]2N2CC[NH2+]CC2)cc1 ZINC000097165785 370232877 /nfs/dbraw/zinc/23/28/77/370232877.db2.gz PHIUIFWHXAUFGC-ZWKOTPCHSA-N 1 0 288.435 3.015 50 0 CGAARO COC(C)(C)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000097371083 370240218 /nfs/dbraw/zinc/24/02/18/370240218.db2.gz KTACTTYJSNZMFI-UHFFFAOYSA-N 1 0 251.345 3.086 50 0 CGAARO CC(C)CC[N@H+](C)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000097493240 370244019 /nfs/dbraw/zinc/24/40/19/370244019.db2.gz CVHRTDXJQUCAFZ-OAHLLOKOSA-N 1 0 288.435 3.332 50 0 CGAARO CNc1nc(C)cc(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000097522364 370245206 /nfs/dbraw/zinc/24/52/06/370245206.db2.gz AXTAASOWPDFRHL-LBPRGKRZSA-N 1 0 270.380 3.116 50 0 CGAARO C[C@H](CO)[NH2+][C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000095420763 370189003 /nfs/dbraw/zinc/18/90/03/370189003.db2.gz NOFKTQNGMCQLSG-SKDZVZGDSA-N 1 0 283.371 3.222 50 0 CGAARO CC(C)OCC[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000095431954 370192591 /nfs/dbraw/zinc/19/25/91/370192591.db2.gz KKJISDIHOIBJDF-MRXNPFEDSA-N 1 0 262.397 3.251 50 0 CGAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cccc(O)c1 ZINC000095448892 370194911 /nfs/dbraw/zinc/19/49/11/370194911.db2.gz JVLZGOHPAZSEFI-SJKOYZFVSA-N 1 0 289.350 3.133 50 0 CGAARO CCCCC[N@H+](Cc1nnc(C2CC2)[nH]1)C(C)C ZINC000095456066 370196340 /nfs/dbraw/zinc/19/63/40/370196340.db2.gz GDTONKFWCMIFMB-UHFFFAOYSA-N 1 0 250.390 3.083 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000095466595 370197915 /nfs/dbraw/zinc/19/79/15/370197915.db2.gz XRPWXTUCVVCVCM-AAVRWANBSA-N 1 0 295.427 3.327 50 0 CGAARO CC1(C)OC[C@H]([NH+]2CCCCC2)[C@@H](c2ccccc2)O1 ZINC000095918096 370200878 /nfs/dbraw/zinc/20/08/78/370200878.db2.gz NYILHNFZMOENDP-JKSUJKDBSA-N 1 0 275.392 3.365 50 0 CGAARO O=c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c[nH]1 ZINC000096165394 370207511 /nfs/dbraw/zinc/20/75/11/370207511.db2.gz IRBZDCZCPCZQOC-UHFFFAOYSA-N 1 0 268.360 3.028 50 0 CGAARO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130030663 371010566 /nfs/dbraw/zinc/01/05/66/371010566.db2.gz PPFZGSWESYEFCI-FIQHERPVSA-N 1 0 267.335 3.104 50 0 CGAARO CC1(C)C[C@@H]([NH2+]Cc2cnc(Cl)s2)C(C)(C)O1 ZINC000132590659 371187527 /nfs/dbraw/zinc/18/75/27/371187527.db2.gz HATXEEVXGMZLIO-SECBINFHSA-N 1 0 274.817 3.232 50 0 CGAARO CSC(C)(C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000133987037 371294482 /nfs/dbraw/zinc/29/44/82/371294482.db2.gz REZITOPCMWCHPO-NSHDSACASA-N 1 0 253.411 3.054 50 0 CGAARO C[C@H](Cc1ccccc1)NCC[NH2+][C@H](C)Cc1ccccc1 ZINC000019369253 541854312 /nfs/dbraw/zinc/85/43/12/541854312.db2.gz ITDDGZIPHVSQPV-QZTJIDSGSA-N 1 0 296.458 3.428 50 0 CGAARO C[C@@H](Cc1ccccc1)NCC[NH2+][C@@H](C)Cc1ccccc1 ZINC000019369248 541854423 /nfs/dbraw/zinc/85/44/23/541854423.db2.gz ITDDGZIPHVSQPV-ROUUACIJSA-N 1 0 296.458 3.428 50 0 CGAARO CC1(C)C[N@H+](CCc2ncc[nH]2)C[C@@H]1c1ccccc1 ZINC000426434396 372157582 /nfs/dbraw/zinc/15/75/82/372157582.db2.gz ATXDYDSIAPOTCK-OAHLLOKOSA-N 1 0 269.392 3.078 50 0 CGAARO CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000426492730 372161421 /nfs/dbraw/zinc/16/14/21/372161421.db2.gz AULXAHUWJFSGJO-SFHVURJKSA-N 1 0 292.467 3.291 50 0 CGAARO C[C@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)[NH+](C)C ZINC000426712288 372169925 /nfs/dbraw/zinc/16/99/25/372169925.db2.gz YZKDBVHSLHGNBZ-SNVBAGLBSA-N 1 0 274.389 3.137 50 0 CGAARO CCCC[N@H+](CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000170596945 372639079 /nfs/dbraw/zinc/63/90/79/372639079.db2.gz OGNRNEUVLUYPFX-UHFFFAOYSA-N 1 0 276.384 3.006 50 0 CGAARO Cc1ccc(C[N@@H+](C)Cc2[nH]cc(C)c(=O)c2C)s1 ZINC000299801128 373613615 /nfs/dbraw/zinc/61/36/15/373613615.db2.gz WKHOTLNRFNGSFH-UHFFFAOYSA-N 1 0 276.405 3.406 50 0 CGAARO Clc1ccccc1-c1cncnc1[C@H]1CCC[NH2+]C1 ZINC000299802866 373614033 /nfs/dbraw/zinc/61/40/33/373614033.db2.gz XEEBJBBNEZBZLA-NSHDSACASA-N 1 0 273.767 3.264 50 0 CGAARO CCn1cc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000177718610 373703717 /nfs/dbraw/zinc/70/37/17/373703717.db2.gz KULAALWYRSGPEZ-JTQLQIEISA-N 1 0 265.307 3.032 50 0 CGAARO CC(=O)N1CCC(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000334233634 206230988 /nfs/dbraw/zinc/23/09/88/206230988.db2.gz YGGHJBQEQBMWEB-KRWDZBQOSA-N 1 0 292.467 3.338 50 0 CGAARO Cc1nnc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)s1 ZINC000334482203 374787147 /nfs/dbraw/zinc/78/71/47/374787147.db2.gz WHRNHVDLBGRHBF-CQSZACIVSA-N 1 0 287.432 3.472 50 0 CGAARO COc1cccc2c1CC[C@H]2[NH2+]C1CC(OC(C)C)C1 ZINC000186560090 374876971 /nfs/dbraw/zinc/87/69/71/374876971.db2.gz OPJXZJGYNDLWNS-SEEARECTSA-N 1 0 275.392 3.228 50 0 CGAARO CC(C)c1cccc(N(C)C(=O)c2coc(C[NH3+])c2)c1 ZINC000187526510 375035979 /nfs/dbraw/zinc/03/59/79/375035979.db2.gz BRHWJIBXEVEKQN-UHFFFAOYSA-N 1 0 272.348 3.138 50 0 CGAARO Fc1cc(Cl)ccc1C[NH2+][C@H]1CCCOCC1 ZINC000187577115 375046423 /nfs/dbraw/zinc/04/64/23/375046423.db2.gz VVNRYTUWTGWSCD-LBPRGKRZSA-N 1 0 257.736 3.138 50 0 CGAARO Cc1cnc(C[NH2+][C@H](C)Cc2ccccc2F)s1 ZINC000188081504 375153839 /nfs/dbraw/zinc/15/38/39/375153839.db2.gz FBSOXXAEUIUOSW-SNVBAGLBSA-N 1 0 264.369 3.311 50 0 CGAARO C[C@](O)(CC[NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000189834934 375451530 /nfs/dbraw/zinc/45/15/30/375451530.db2.gz GZRCXLHJCHIBEQ-INIZCTEOSA-N 1 0 290.794 3.122 50 0 CGAARO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cncs1 ZINC000191665095 375649987 /nfs/dbraw/zinc/64/99/87/375649987.db2.gz RSARNRVGNGDEIB-ZDUSSCGKSA-N 1 0 260.362 3.016 50 0 CGAARO CC(C)[N@@H+](Cc1nc(-c2ccoc2)no1)CC1CCC1 ZINC000193213729 375842108 /nfs/dbraw/zinc/84/21/08/375842108.db2.gz VGKXIEONDPGTKH-UHFFFAOYSA-N 1 0 275.352 3.340 50 0 CGAARO C[N@@H+]1CCCN(C(=O)Nc2cccc3ccsc32)CC1 ZINC000336594445 375859887 /nfs/dbraw/zinc/85/98/87/375859887.db2.gz ZIFOYVUBPDQFAM-UHFFFAOYSA-N 1 0 289.404 3.071 50 0 CGAARO c1coc([C@@H]2[N@H+](CCc3ccncc3)CC23CCOCC3)c1 ZINC000521398727 375875283 /nfs/dbraw/zinc/87/52/83/375875283.db2.gz MOKTXRNPZPUEMJ-KRWDZBQOSA-N 1 0 298.386 3.071 50 0 CGAARO CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccccc1F ZINC000195553525 376111940 /nfs/dbraw/zinc/11/19/40/376111940.db2.gz WJYKIDWUMUDWFX-HNNXBMFYSA-N 1 0 294.370 3.097 50 0 CGAARO CCc1ccccc1C[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000215016097 376145108 /nfs/dbraw/zinc/14/51/08/376145108.db2.gz PERIPUZTUOBGNH-AWEZNQCLSA-N 1 0 269.392 3.102 50 0 CGAARO COCCOC1CC[NH+](CC[C@H](C)c2ccc(C)o2)CC1 ZINC000215445721 376148668 /nfs/dbraw/zinc/14/86/68/376148668.db2.gz VVHRBJPQDOUDNG-AWEZNQCLSA-N 1 0 295.423 3.209 50 0 CGAARO COC[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cc(C)ccc1C ZINC000215419218 376148882 /nfs/dbraw/zinc/14/88/82/376148882.db2.gz WFNJYVFKCWWZMD-INIZCTEOSA-N 1 0 299.418 3.304 50 0 CGAARO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000216007189 376156501 /nfs/dbraw/zinc/15/65/01/376156501.db2.gz WMXAWRKOHYXEQB-QWQRMKEZSA-N 1 0 285.387 3.035 50 0 CGAARO CC[N@H+](Cc1cc(C(C)=O)cn1C)[C@@H]1CCOC(C)(C)C1 ZINC000216198816 376160902 /nfs/dbraw/zinc/16/09/02/376160902.db2.gz FQZJLTVZCHTIGT-OAHLLOKOSA-N 1 0 292.423 3.007 50 0 CGAARO c1cc(C[NH+]2CCCCC2)sc1CN1CCSCC1 ZINC000216221543 376161684 /nfs/dbraw/zinc/16/16/84/376161684.db2.gz YUVMXITYCPHEHP-UHFFFAOYSA-N 1 0 296.505 3.283 50 0 CGAARO C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)[C@H]1CO ZINC000225352835 376304948 /nfs/dbraw/zinc/30/49/48/376304948.db2.gz LYPNWWYKYASGDH-HZMBPMFUSA-N 1 0 271.763 3.072 50 0 CGAARO Brc1ccccc1CCC[NH+]1CCCC1 ZINC000230532036 376520808 /nfs/dbraw/zinc/52/08/08/376520808.db2.gz NDTCROLXWUUNHA-UHFFFAOYSA-N 1 0 268.198 3.478 50 0 CGAARO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cncn1CC ZINC000240971716 376776563 /nfs/dbraw/zinc/77/65/63/376776563.db2.gz UBQUZASUZDHRKG-INIZCTEOSA-N 1 0 257.381 3.486 50 0 CGAARO CC[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)C1 ZINC000242191322 376781793 /nfs/dbraw/zinc/78/17/93/376781793.db2.gz XEODZTCLBLILDT-TWMKSMIVSA-N 1 0 293.451 3.273 50 0 CGAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2CCc2cn[nH]c2)c1 ZINC000244716124 376795199 /nfs/dbraw/zinc/79/51/99/376795199.db2.gz LIVPNFDAZIOKHG-QGZVFWFLSA-N 1 0 299.418 3.145 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]2CCCc2cccnc2)no1 ZINC000244874835 376799186 /nfs/dbraw/zinc/79/91/86/376799186.db2.gz XHZJCRSRFJPREP-MRXNPFEDSA-N 1 0 271.364 3.148 50 0 CGAARO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245462325 376822731 /nfs/dbraw/zinc/82/27/31/376822731.db2.gz GIVMPZZZWOKYDS-CHWSQXEVSA-N 1 0 280.412 3.392 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000245901490 376930679 /nfs/dbraw/zinc/93/06/79/376930679.db2.gz DSEYULQGXJHJHQ-KBPBESRZSA-N 1 0 292.448 3.144 50 0 CGAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000248714608 377385420 /nfs/dbraw/zinc/38/54/20/377385420.db2.gz KHBKKIATPQCVTG-XZDPQHSOSA-N 1 0 289.423 3.072 50 0 CGAARO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)O1 ZINC000249079305 377456365 /nfs/dbraw/zinc/45/63/65/377456365.db2.gz MGYBJHYLNKBLJD-OLMNPRSZSA-N 1 0 288.435 3.457 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000249695814 377523733 /nfs/dbraw/zinc/52/37/33/377523733.db2.gz RNBLFCHVTMMGDK-VXGBXAGGSA-N 1 0 296.798 3.022 50 0 CGAARO Cc1nccn1CCC[N@@H+](C)CCn1ccc2ccccc21 ZINC000252482331 377629138 /nfs/dbraw/zinc/62/91/38/377629138.db2.gz DDAORQGIFUOAAK-UHFFFAOYSA-N 1 0 296.418 3.168 50 0 CGAARO Nc1ccc(SC[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000252548839 377639163 /nfs/dbraw/zinc/63/91/63/377639163.db2.gz QMPGMNYEHWSANV-TZMCWYRMSA-N 1 0 277.437 3.020 50 0 CGAARO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000252537208 377638066 /nfs/dbraw/zinc/63/80/66/377638066.db2.gz KRGRTWXJMAWMNM-KGLIPLIRSA-N 1 0 287.325 3.098 50 0 CGAARO CN1CCC(C(=O)C(F)(F)F)=C1[NH2+]Nc1ccccc1 ZINC000254555169 377709041 /nfs/dbraw/zinc/70/90/41/377709041.db2.gz BRPDOZUNYASJIW-RVOOOTTKSA-N 1 0 285.269 3.122 50 0 CGAARO O=C1NCCCCC[N@H+](CC2CCCCC2)[C@H]2CCC[C@@H]12 ZINC000257180006 377793474 /nfs/dbraw/zinc/79/34/74/377793474.db2.gz JYGAGNVDQOWUBX-SJORKVTESA-N 1 0 292.467 3.338 50 0 CGAARO CSc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c(C)o1 ZINC000585110584 378396756 /nfs/dbraw/zinc/39/67/56/378396756.db2.gz VTNBLMZCYDTLTE-UHFFFAOYSA-N 1 0 298.452 3.160 50 0 CGAARO C[C@H]([NH2+]CCC1CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000585117339 378397474 /nfs/dbraw/zinc/39/74/74/378397474.db2.gz YSCUSPLUPRNRDZ-YJBOKZPZSA-N 1 0 290.451 3.084 50 0 CGAARO [NH2+]=C(NC[C@@H]1CCCO1)SC/C=C\c1ccccc1 ZINC000588080719 378398954 /nfs/dbraw/zinc/39/89/54/378398954.db2.gz VTBDTJOPUMFKQT-PODYEWJSSA-N 1 0 276.405 3.136 50 0 CGAARO Cc1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)c(=O)n1C ZINC000278682202 194100887 /nfs/dbraw/zinc/10/08/87/194100887.db2.gz ICRXMKAGIWJDSV-UHFFFAOYSA-N 1 0 284.403 3.107 50 0 CGAARO CC(C)CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)C1CC1 ZINC000282755844 379983497 /nfs/dbraw/zinc/98/34/97/379983497.db2.gz BCYSZCZVMWSNIQ-INIZCTEOSA-N 1 0 289.423 3.482 50 0 CGAARO CC(C)n1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)n1 ZINC000408513974 380013671 /nfs/dbraw/zinc/01/36/71/380013671.db2.gz ANSFONBZOAIYJI-CQSZACIVSA-N 1 0 257.381 3.185 50 0 CGAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000409421100 380030881 /nfs/dbraw/zinc/03/08/81/380030881.db2.gz HNVSRIZRHGHCMC-QGZVFWFLSA-N 1 0 296.418 3.443 50 0 CGAARO O[C@H](c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071772208 184575793 /nfs/dbraw/zinc/57/57/93/184575793.db2.gz GUVADVVPSJFACH-ZWKOTPCHSA-N 1 0 267.372 3.242 50 0 CGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300412220 542412183 /nfs/dbraw/zinc/41/21/83/542412183.db2.gz SAPJVVHQMZAWJD-XVIXHAIJSA-N 1 0 269.454 3.064 50 0 CGAARO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCCO ZINC000096421811 256760711 /nfs/dbraw/zinc/76/07/11/256760711.db2.gz RRIXJXPOMQVJMU-OCCSQVGLSA-N 1 0 253.411 3.089 50 0 CGAARO C[C@H](CCc1ccccc1)C[NH2+]C[C@H](O)c1ccco1 ZINC000095450139 184988959 /nfs/dbraw/zinc/98/89/59/184988959.db2.gz QNBOMNUSTFYIOB-ZBFHGGJFSA-N 1 0 273.376 3.172 50 0 CGAARO Oc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000034992391 285391766 /nfs/dbraw/zinc/39/17/66/285391766.db2.gz QKABKZDUXIQNCG-OAHLLOKOSA-N 1 0 255.317 3.006 50 0 CGAARO C[C@@H](CCN1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000097657115 533580999 /nfs/dbraw/zinc/58/09/99/533580999.db2.gz LGBXTUNIOBZSCY-INIZCTEOSA-N 1 0 272.436 3.350 50 0 CGAARO Cc1cccc2c(CC[NH3+])cn(Cc3ccccc3)c21 ZINC000009421983 391928410 /nfs/dbraw/zinc/92/84/10/391928410.db2.gz WZYLEAJVJMZIFE-UHFFFAOYSA-N 1 0 264.372 3.499 50 0 CGAARO CCNc1ncc(C[N@H+]([C@H](C)CC)C2CCCC2)cn1 ZINC000063871652 392140142 /nfs/dbraw/zinc/14/01/42/392140142.db2.gz VBYKBAYXVLJEDJ-CYBMUJFWSA-N 1 0 276.428 3.452 50 0 CGAARO CNC(=O)c1ccc(C[NH2+]C/C(C)=C\c2ccccc2)cc1 ZINC000096297195 392246775 /nfs/dbraw/zinc/24/67/75/392246775.db2.gz AEBLQKYCXVNZJT-QINSGFPZSA-N 1 0 294.398 3.239 50 0 CGAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000546809231 393074651 /nfs/dbraw/zinc/07/46/51/393074651.db2.gz CIFZOFMIRGREED-HNNXBMFYSA-N 1 0 292.404 3.058 50 0 CGAARO CO[C@H](CN(C)Cc1cn2c(n1)CCCC2)c1ccccc1 ZINC000253392720 393130620 /nfs/dbraw/zinc/13/06/20/393130620.db2.gz FTVLTQSUQTXUGX-QGZVFWFLSA-N 1 0 299.418 3.039 50 0 CGAARO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000585090412 542768565 /nfs/dbraw/zinc/76/85/65/542768565.db2.gz LNIVRDRYEKANSY-HOTGVXAUSA-N 1 0 295.448 3.149 50 0 CGAARO Cc1ccccc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000089690510 135059879 /nfs/dbraw/zinc/05/98/79/135059879.db2.gz XJJBKYXZADHCDP-UHFFFAOYSA-N 1 0 296.414 3.196 50 0 CGAARO C[C@@H](CCn1cccn1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000670454621 543155794 /nfs/dbraw/zinc/15/57/94/543155794.db2.gz LFQPYTCZZPTSFN-INIZCTEOSA-N 1 0 298.434 3.011 50 0 CGAARO C[NH+](C)[C@H]1CCCN(Cc2cccc(-c3ccco3)c2)C1 ZINC000670472900 543157585 /nfs/dbraw/zinc/15/75/85/543157585.db2.gz JBGMEKOUGZBWKH-KRWDZBQOSA-N 1 0 284.403 3.473 50 0 CGAARO CCN(CC)CC[N@H+](CC)C[C@H](C)c1ccccc1 ZINC000022027659 397605350 /nfs/dbraw/zinc/60/53/50/397605350.db2.gz VZJZKLRJIYJONJ-INIZCTEOSA-N 1 0 262.441 3.454 50 0 CGAARO C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000239203147 397668772 /nfs/dbraw/zinc/66/87/72/397668772.db2.gz RUYRAUWKVSWJFK-BVPBIZIASA-N 1 0 267.372 3.459 50 0 CGAARO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004724915 170006217 /nfs/dbraw/zinc/00/62/17/170006217.db2.gz VHHJIBFVHLXRRD-CQSZACIVSA-N 1 0 260.381 3.056 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1c[nH]c2ccccc12 ZINC000004812398 170021566 /nfs/dbraw/zinc/02/15/66/170021566.db2.gz MJCBKKPOEAMEOT-WBMJQRKESA-N 1 0 258.365 3.076 50 0 CGAARO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1C ZINC000004834244 170026498 /nfs/dbraw/zinc/02/64/98/170026498.db2.gz ZMSSXDRNWULHRN-QGZVFWFLSA-N 1 0 291.435 3.308 50 0 CGAARO COc1cccc(OC)c1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004837281 170027068 /nfs/dbraw/zinc/02/70/68/170027068.db2.gz SAPQUJLBCNFTLQ-ZIAGYGMSSA-N 1 0 293.407 3.061 50 0 CGAARO COc1cc(C(C)=O)ccc1OCC[NH+]1CCC(C)CC1 ZINC000004841183 170027553 /nfs/dbraw/zinc/02/75/53/170027553.db2.gz ZTVWXVVQRLSBTB-UHFFFAOYSA-N 1 0 291.391 3.009 50 0 CGAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000004956183 170045383 /nfs/dbraw/zinc/04/53/83/170045383.db2.gz LOSBVWVGKPNPKG-AWEZNQCLSA-N 1 0 286.419 3.236 50 0 CGAARO CC[NH+](CC)CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000006462730 170202963 /nfs/dbraw/zinc/20/29/63/170202963.db2.gz WAJAAVDDARYAEM-UHFFFAOYSA-N 1 0 283.803 3.193 50 0 CGAARO CCC[NH+]1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000006698650 170227815 /nfs/dbraw/zinc/22/78/15/170227815.db2.gz NYCFZIZYKAFFGI-UHFFFAOYSA-N 1 0 295.814 3.336 50 0 CGAARO CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000006726805 170233869 /nfs/dbraw/zinc/23/38/69/170233869.db2.gz CWUQNXPPQFEXBH-UHFFFAOYSA-N 1 0 299.777 3.085 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000006743585 170238382 /nfs/dbraw/zinc/23/83/82/170238382.db2.gz FAIPALISURVKKH-SFHVURJKSA-N 1 0 299.414 3.435 50 0 CGAARO C[NH+](C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008091133 170318755 /nfs/dbraw/zinc/31/87/55/170318755.db2.gz GPNUAWXIIWCHDM-UHFFFAOYSA-N 1 0 290.194 3.067 50 0 CGAARO Clc1ccccc1CSC1=NN/C(=C2\C=CC=[NH+]2)O1 ZINC000009582365 170382246 /nfs/dbraw/zinc/38/22/46/170382246.db2.gz CXEWIIRPRJLXKZ-QXMHVHEDSA-N 1 0 291.763 3.274 50 0 CGAARO COc1ccc(C(CC[NH3+])c2ccc(OC)cc2)cc1 ZINC000011629982 170429202 /nfs/dbraw/zinc/42/92/02/170429202.db2.gz WFCUYNRWFOGDKK-UHFFFAOYSA-N 1 0 271.360 3.185 50 0 CGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606470 170705511 /nfs/dbraw/zinc/70/55/11/170705511.db2.gz IEABTCNVQWOLJQ-HNNXBMFYSA-N 1 0 288.435 3.122 50 0 CGAARO Cc1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000020168435 171040842 /nfs/dbraw/zinc/04/08/42/171040842.db2.gz GTNBMOPAKKZKSY-HZPDHXFCSA-N 1 0 277.408 3.182 50 0 CGAARO CC[C@H](C)c1ccccc1OCCCCN1CC[NH2+]CC1 ZINC000020272583 171127491 /nfs/dbraw/zinc/12/74/91/171127491.db2.gz PGLGPHADCKPJSS-INIZCTEOSA-N 1 0 290.451 3.264 50 0 CGAARO Cc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000020514380 171231642 /nfs/dbraw/zinc/23/16/42/171231642.db2.gz WFELFRIJKKTWAC-UHFFFAOYSA-N 1 0 286.444 3.374 50 0 CGAARO CCc1noc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C)cc2)n1 ZINC000020908708 171279062 /nfs/dbraw/zinc/27/90/62/171279062.db2.gz CROOVDAOKHVUTH-CHWSQXEVSA-N 1 0 273.380 3.222 50 0 CGAARO Cc1cc2nc(C3CC[NH2+]CC3)oc2cc1Cl ZINC000034924854 171893735 /nfs/dbraw/zinc/89/37/35/171893735.db2.gz KUIHYDOXRHAQST-UHFFFAOYSA-N 1 0 250.729 3.257 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccco1 ZINC000035018959 171937277 /nfs/dbraw/zinc/93/72/77/171937277.db2.gz PHYBBIAPSUJKPW-ZDUSSCGKSA-N 1 0 267.332 3.316 50 0 CGAARO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cnn1C ZINC000035274296 172094508 /nfs/dbraw/zinc/09/45/08/172094508.db2.gz LNGSIXVBEOYIQD-JTQLQIEISA-N 1 0 295.333 3.181 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075793 174086408 /nfs/dbraw/zinc/08/64/08/174086408.db2.gz ZTGHSBWEUOHIDJ-GFCCVEGCSA-N 1 0 294.826 3.249 50 0 CGAARO FC(F)(F)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000038580832 174148775 /nfs/dbraw/zinc/14/87/75/174148775.db2.gz WLYHXVFBJRMGJP-UHFFFAOYSA-N 1 0 259.271 3.084 50 0 CGAARO COC(=O)c1oc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1C ZINC000040086063 174187263 /nfs/dbraw/zinc/18/72/63/174187263.db2.gz NEIFLRKJYWSSRW-MRXNPFEDSA-N 1 0 299.370 3.494 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cccc1Cl ZINC000046857426 175399850 /nfs/dbraw/zinc/39/98/50/175399850.db2.gz PJJXVWJSEYPLJF-NSHDSACASA-N 1 0 298.789 3.083 50 0 CGAARO C[NH+]1CCC(CCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000071385367 176147221 /nfs/dbraw/zinc/14/72/21/176147221.db2.gz AEEKCPXDVWHEEE-UHFFFAOYSA-N 1 0 295.814 3.193 50 0 CGAARO COc1cccc(-c2ccc3c(CC[NH3+])c[nH]c3c2)c1 ZINC000071598549 176222687 /nfs/dbraw/zinc/22/26/87/176222687.db2.gz DRRHILLACIIIPY-UHFFFAOYSA-N 1 0 266.344 3.345 50 0 CGAARO CCC[NH+]1CCC(Nc2nc(C)cc(C3CCC3)n2)CC1 ZINC000071750410 176259388 /nfs/dbraw/zinc/25/93/88/176259388.db2.gz AKRFCDUIRGSFPN-UHFFFAOYSA-N 1 0 288.439 3.339 50 0 CGAARO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000071792607 176263493 /nfs/dbraw/zinc/26/34/93/176263493.db2.gz FOSVUXJJGBFYSV-UHFFFAOYSA-N 1 0 294.395 3.016 50 0 CGAARO COc1ccc(OC)c([C@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC000077386030 177261373 /nfs/dbraw/zinc/26/13/73/177261373.db2.gz KQYYOIMPCUIDRZ-ZDUSSCGKSA-N 1 0 284.359 3.093 50 0 CGAARO Cc1csc(N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000077406555 177263714 /nfs/dbraw/zinc/26/37/14/177263714.db2.gz ZRKLFKCQBKHGFR-ZDUSSCGKSA-N 1 0 267.442 3.008 50 0 CGAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000001475838 416444405 /nfs/dbraw/zinc/44/44/05/416444405.db2.gz ZMYPNJFMGYZGEG-MRXNPFEDSA-N 1 0 291.435 3.282 50 0 CGAARO c1cc([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676726 543857731 /nfs/dbraw/zinc/85/77/31/543857731.db2.gz DTCOQFMHFPHCRR-LSDHHAIUSA-N 1 0 289.423 3.081 50 0 CGAARO C[C@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)[NH+]1CCCC1 ZINC000000347606 274467347 /nfs/dbraw/zinc/46/73/47/274467347.db2.gz ZGDMLUXKVUAPMH-CYBMUJFWSA-N 1 0 298.430 3.087 50 0 CGAARO c1ccc(CO[C@@H]2CCCC[C@H]2[NH2+]C2CCOCC2)cc1 ZINC000090602998 275067313 /nfs/dbraw/zinc/06/73/13/275067313.db2.gz KFMLOWQHEPPZAR-QZTJIDSGSA-N 1 0 289.419 3.283 50 0 CGAARO CC1(C)C[C@@H]([NH3+])c2cc(Br)ccc2O1 ZINC000011848962 275856006 /nfs/dbraw/zinc/85/60/06/275856006.db2.gz PXJLFYGCARIYEH-SECBINFHSA-N 1 0 256.143 3.010 50 0 CGAARO C[N@H+]1CC=C(c2ccc(Br)cc2)CC1 ZINC000013604473 277023626 /nfs/dbraw/zinc/02/36/26/277023626.db2.gz ZLTVWHVXRJSJMU-UHFFFAOYSA-N 1 0 252.155 3.168 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)[NH2+]CC2 ZINC000004832313 277394981 /nfs/dbraw/zinc/39/49/81/277394981.db2.gz MAHCADRFWTWORG-SFHVURJKSA-N 1 0 283.371 3.247 50 0 CGAARO COc1ccc(-c2nc3c(s2)[C@H]([NH3+])CCC3)cc1 ZINC000050329838 277397335 /nfs/dbraw/zinc/39/73/35/277397335.db2.gz VLWOIPRIEFHMTF-LLVKDONJSA-N 1 0 260.362 3.155 50 0 CGAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000757083 278301370 /nfs/dbraw/zinc/30/13/70/278301370.db2.gz UPGAKBQSTUYKIB-WLYUNCDWSA-N 1 0 253.430 3.296 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142114 279054902 /nfs/dbraw/zinc/05/49/02/279054902.db2.gz ZKSAMAMMTQJPPQ-MNOVXSKESA-N 1 0 275.318 3.237 50 0 CGAARO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000022168349 279634056 /nfs/dbraw/zinc/63/40/56/279634056.db2.gz RVVLOQAOXHQBNA-AWEZNQCLSA-N 1 0 292.835 3.460 50 0 CGAARO CC1=C[C@H](C)C2(COC(C[NH+]3CCCCC3)OC2)[C@@H](C)C1 ZINC000000238663 281691089 /nfs/dbraw/zinc/69/10/89/281691089.db2.gz OZHBBEXUFVAWPO-VYMRPNJYSA-N 1 0 293.451 3.454 50 0 CGAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000361748584 293646410 /nfs/dbraw/zinc/64/64/10/293646410.db2.gz BMQBMZYPFSAMMS-MRVWCRGKSA-N 1 0 280.437 3.376 50 0 CGAARO COCC[C@@H](C)[NH2+]CCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000534585529 328315288 /nfs/dbraw/zinc/31/52/88/328315288.db2.gz LYNKHXHJIGDNPB-CYBMUJFWSA-N 1 0 289.423 3.127 50 0 CGAARO COc1ccc2oc(C[NH2+][C@H](C)CC(C)(C)OC)nc2c1 ZINC000534637842 328334537 /nfs/dbraw/zinc/33/45/37/328334537.db2.gz QXXOZNBFAKSEHG-LLVKDONJSA-N 1 0 292.379 3.130 50 0 CGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000195561031 336056228 /nfs/dbraw/zinc/05/62/28/336056228.db2.gz PSKGIZNSTKUMHS-XBFCOCLRSA-N 1 0 277.412 3.497 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000005578633 534086422 /nfs/dbraw/zinc/08/64/22/534086422.db2.gz ZGBITCLDOGNTLC-SJLPKXTDSA-N 1 0 299.414 3.394 50 0 CGAARO O[C@H](C[C@@H]1CCC[N@@H+]1CCc1ccncc1)c1ccccc1 ZINC000096441730 534433414 /nfs/dbraw/zinc/43/34/14/534433414.db2.gz SPXQQVJGVNOMGZ-RBUKOAKNSA-N 1 0 296.414 3.212 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)o1 ZINC000035255542 525792045 /nfs/dbraw/zinc/79/20/45/525792045.db2.gz UJQAIFYCDWMSKX-UHFFFAOYSA-N 1 0 267.332 3.268 50 0 CGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000238852858 566965519 /nfs/dbraw/zinc/96/55/19/566965519.db2.gz HLJWXVNLMPURGL-DYEKYZERSA-N 1 0 261.365 3.330 50 0 CGAARO CC[C@@H]1C=CCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000952990728 615551205 /nfs/dbraw/zinc/55/12/05/615551205.db2.gz SSXQPIICOBXPPB-GOSISDBHSA-N 1 0 298.430 3.043 50 0 CGAARO CC[C@H]1C=CC[N@@H+]1C1CCN(c2cccc(OC)c2)CC1 ZINC000952971584 615877410 /nfs/dbraw/zinc/87/74/10/615877410.db2.gz FGKITYXNBKHVIR-HNNXBMFYSA-N 1 0 286.419 3.314 50 0 CGAARO CC(=O)c1ccc(N2Cc3ccccc3CC2=[NH2+])cc1 ZINC000001806941 617720362 /nfs/dbraw/zinc/72/03/62/617720362.db2.gz OEFRFEHHLPUBSI-UHFFFAOYSA-N 1 0 264.328 3.429 50 0 CGAARO CN1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000002811179 618598339 /nfs/dbraw/zinc/59/83/39/618598339.db2.gz ITLZPMWDOBMQAY-UHFFFAOYSA-N 1 0 286.341 3.231 50 0 CGAARO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000019792547 618972228 /nfs/dbraw/zinc/97/22/28/618972228.db2.gz SSCYVKJWHZNIJD-HNNXBMFYSA-N 1 0 272.392 3.151 50 0 CGAARO O=C(Nc1cccc2ccccc21)N[C@@H]1C[NH+]2CCC1CC2 ZINC000005006400 619227851 /nfs/dbraw/zinc/22/78/51/619227851.db2.gz IKADEPQOPOIEBP-QGZVFWFLSA-N 1 0 295.386 3.056 50 0 CGAARO CCC[C@@H]1CCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000185859348 625478571 /nfs/dbraw/zinc/47/85/71/625478571.db2.gz LJRBODPSIZECND-OAHLLOKOSA-N 1 0 299.418 3.051 50 0 CGAARO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000952974763 636776164 /nfs/dbraw/zinc/77/61/64/636776164.db2.gz BZJWYIGSPQCARB-MRXNPFEDSA-N 1 0 288.435 3.357 50 0 CGAARO C/C=C(\C)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000000278465 640921216 /nfs/dbraw/zinc/92/12/16/640921216.db2.gz AZDYIFVRAZPHHA-LFYBBSHMSA-N 1 0 261.365 3.028 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCCC1CCC1 ZINC000585124092 799677592 /nfs/dbraw/zinc/67/75/92/799677592.db2.gz QFCDRQGUEHSYDY-AWEZNQCLSA-N 1 0 255.402 3.121 50 0 CGAARO Cc1ncsc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000585093629 799677505 /nfs/dbraw/zinc/67/75/05/799677505.db2.gz PJXNLNYCZUQSAL-ZFWWWQNUSA-N 1 0 287.432 3.348 50 0 CGAARO Cc1c(C[NH+]2CCSCC2)[nH]c2ccc(F)cc12 ZINC000826604134 800477071 /nfs/dbraw/zinc/47/70/71/800477071.db2.gz CWIIXMVFHAPRBM-UHFFFAOYSA-N 1 0 264.369 3.164 50 0 CGAARO Cc1ccsc1-c1noc([C@@H]2CCCCN2C)n1 ZINC000952876244 800686176 /nfs/dbraw/zinc/68/61/76/800686176.db2.gz IFJFWHVMDRGLON-JTQLQIEISA-N 1 0 263.366 3.263 50 0 CGAARO CCCCc1ccc(CN[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000952873410 800686315 /nfs/dbraw/zinc/68/63/15/800686315.db2.gz WOCYYDGOMTVTBV-LBPRGKRZSA-N 1 0 272.396 3.307 50 0 CGAARO C[C@H](CCc1ccccc1)[N@H+](C)C[C@H](O)c1cccc(N)c1 ZINC000042414575 928203857 /nfs/dbraw/zinc/20/38/57/928203857.db2.gz ZDFFMQPSABQZAT-BEFAXECRSA-N 1 0 298.430 3.255 50 0 CGAARO Cc1cccc2[nH]c(C3CC[NH+](C[C@H]4CCOC4)CC3)nc21 ZINC000072163733 928798544 /nfs/dbraw/zinc/79/85/44/928798544.db2.gz MDPNEHNQATYGGJ-CQSZACIVSA-N 1 0 299.418 3.087 50 0 CGAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)c2ccsc2)CC1 ZINC000409420894 932026212 /nfs/dbraw/zinc/02/62/12/932026212.db2.gz AKUUMYDEPDMNNL-UHFFFAOYSA-N 1 0 289.404 3.039 50 0 CGAARO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc2ccc(F)cc12 ZINC001506395793 937989485 /nfs/dbraw/zinc/98/94/85/937989485.db2.gz HJQFURXFGWMREF-CYBMUJFWSA-N 1 0 287.382 3.070 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]CCc1sccc1C ZINC001506404891 937989536 /nfs/dbraw/zinc/98/95/36/937989536.db2.gz SCIQVYCDFPKWQW-ZDUSSCGKSA-N 1 0 277.437 3.036 50 0 CGAARO Cc1ccccc1OCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC001506415782 937989775 /nfs/dbraw/zinc/98/97/75/937989775.db2.gz CMFICBLEDJDUCZ-QGZVFWFLSA-N 1 0 296.414 3.242 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cccc(SC)c1 ZINC001506406584 937989866 /nfs/dbraw/zinc/98/98/66/937989866.db2.gz LUNBHRNYYPTWBZ-CYBMUJFWSA-N 1 0 289.448 3.346 50 0 CGAARO Cc1nnc(N(C)C[C@@H]2CC[N@H+](C)C2(C)C)c2ccccc12 ZINC001506406609 937989925 /nfs/dbraw/zinc/98/99/25/937989925.db2.gz MFBCLMGLFUMTDC-AWEZNQCLSA-N 1 0 298.434 3.105 50 0 CGAARO Cc1ccc2c(C)cc(N[C@@H]3CC[N@@H+](C)C3)nc2c1C ZINC001506429713 937990048 /nfs/dbraw/zinc/99/00/48/937990048.db2.gz WCVJWVDTTWORFA-CQSZACIVSA-N 1 0 269.392 3.276 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001506427004 937990184 /nfs/dbraw/zinc/99/01/84/937990184.db2.gz WEPHOLLZYUACGK-AWEZNQCLSA-N 1 0 296.418 3.414 50 0 CGAARO c1ccc(CCCC[NH2+]C2CSCCSC2)cc1 ZINC001506420518 937990206 /nfs/dbraw/zinc/99/02/06/937990206.db2.gz HGFWFNMVWGUGED-UHFFFAOYSA-N 1 0 281.490 3.448 50 0 CGAARO CCc1cnc(C)nc1NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001529145275 938071130 /nfs/dbraw/zinc/07/11/30/938071130.db2.gz GCHLYXXSYFBNEX-QGZVFWFLSA-N 1 0 298.434 3.371 50 0 CGAARO CC/C(C)=C/CC[N@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001529159252 938071473 /nfs/dbraw/zinc/07/14/73/938071473.db2.gz RDEFVXXEWAQOAN-AAWPKVBNSA-N 1 0 280.456 3.312 50 0 CGAARO CCCc1ccc(C[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)o1 ZINC001529172344 938071495 /nfs/dbraw/zinc/07/14/95/938071495.db2.gz FNNJLWYABIUQII-NMWPEEMBSA-N 1 0 277.408 3.213 50 0 CGAARO C[N@H+](Cc1cc(F)ccc1Cl)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529191968 938071703 /nfs/dbraw/zinc/07/17/03/938071703.db2.gz LETMEZPOEDAKIZ-HGSJOUDDSA-N 1 0 297.801 3.460 50 0 CGAARO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096456832 230377520 /nfs/dbraw/zinc/37/75/20/230377520.db2.gz VYJXPQCHAAUMFC-GTNSWQLSSA-N 1 0 289.350 3.324 50 0 CGAARO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCn1ccnc1 ZINC000096489348 230382337 /nfs/dbraw/zinc/38/23/37/230382337.db2.gz SHAIJNLQZZLJEH-ZFWWWQNUSA-N 1 0 255.365 3.030 50 0 CGAARO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000095968359 185046924 /nfs/dbraw/zinc/04/69/24/185046924.db2.gz VJXIMLANCGEADC-KOLCDFICSA-N 1 0 291.819 3.244 50 0 CGAARO c1c[nH]c(C[NH2+][C@@H](CC2CCC2)c2ccccc2)n1 ZINC000095994174 185059368 /nfs/dbraw/zinc/05/93/68/185059368.db2.gz CHXQJRNXCBJECS-HNNXBMFYSA-N 1 0 255.365 3.431 50 0 CGAARO Clc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000096032180 185067729 /nfs/dbraw/zinc/06/77/29/185067729.db2.gz HGZUKNZHCSZNBV-GFCCVEGCSA-N 1 0 276.767 3.386 50 0 CGAARO C[C@H](COc1ccc(F)cc1)[NH2+][C@@H](C)c1ccncc1 ZINC000097032666 185156548 /nfs/dbraw/zinc/15/65/48/185156548.db2.gz GPXJGQCQQHVPIO-OLZOCXBDSA-N 1 0 274.339 3.339 50 0 CGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000000220327 136396433 /nfs/dbraw/zinc/39/64/33/136396433.db2.gz WNNUQIOCQMNFFA-WBVHZDCISA-N 1 0 258.409 3.387 50 0 CGAARO c1[nH]c2ccccc2c1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000002901941 344858161 /nfs/dbraw/zinc/85/81/61/344858161.db2.gz LXGSJPHFGXKUIG-UHFFFAOYSA-N 1 0 294.354 3.229 50 0 CGAARO CC(=O)O[C@H]1C[C@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000005378794 344861400 /nfs/dbraw/zinc/86/14/00/344861400.db2.gz CNNCIVWTZOLSDH-STQMWFEESA-N 1 0 255.402 3.085 50 0 CGAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccccc1Cl ZINC000022078163 344894217 /nfs/dbraw/zinc/89/42/17/344894217.db2.gz IZHZCEUUWHTUJU-DOMZBBRYSA-N 1 0 264.800 3.009 50 0 CGAARO Fc1ccccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000023281214 344897817 /nfs/dbraw/zinc/89/78/17/344897817.db2.gz MNZNVDYPBCFPFZ-OAHLLOKOSA-N 1 0 274.383 3.304 50 0 CGAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274485 345408204 /nfs/dbraw/zinc/40/82/04/345408204.db2.gz CYMFWTIYFNNGRB-QAPCUYQASA-N 1 0 281.403 3.007 50 0 CGAARO CS[C@H]1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000075922219 345528425 /nfs/dbraw/zinc/52/84/25/345528425.db2.gz MXDFCPMFTORGAW-NEPJUHHUSA-N 1 0 256.440 3.167 50 0 CGAARO Cn1cc(C[NH2+]Cc2cc3cc(F)ccc3s2)cn1 ZINC000097197972 185559510 /nfs/dbraw/zinc/55/95/10/185559510.db2.gz ZEOLQWXDQREWHC-UHFFFAOYSA-N 1 0 275.352 3.064 50 0 CGAARO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccncc2)cc1 ZINC000081197922 345700828 /nfs/dbraw/zinc/70/08/28/345700828.db2.gz YPXSQHUOJXMENA-QZTJIDSGSA-N 1 0 282.387 3.400 50 0 CGAARO Fc1ccccc1[C@@H]1CC[N@@H+]1CCc1ccncc1 ZINC000081649443 345716348 /nfs/dbraw/zinc/71/63/48/345716348.db2.gz KQXLGDJMHCGKHY-INIZCTEOSA-N 1 0 256.324 3.210 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1nnc2n1CCCC2 ZINC000089895754 345776697 /nfs/dbraw/zinc/77/66/97/345776697.db2.gz OFJRYXXVFYPYQM-LSDHHAIUSA-N 1 0 298.434 3.286 50 0 CGAARO O[C@](Cc1ccccc1)(C[NH+]1CCCC1)c1ccccc1 ZINC000096027129 345901829 /nfs/dbraw/zinc/90/18/29/345901829.db2.gz SBHQFACFWZTPNT-LJQANCHMSA-N 1 0 281.399 3.213 50 0 CGAARO C[NH2+][C@]1(c2ccccc2C(F)(F)F)CCCCC1=O ZINC000096027237 345902015 /nfs/dbraw/zinc/90/20/15/345902015.db2.gz LETHPPJNGNSLDJ-ZDUSSCGKSA-N 1 0 271.282 3.263 50 0 CGAARO CC(C)CCn1ccc(NC2CC[NH+](C(C)C)CC2)n1 ZINC000097238365 345908074 /nfs/dbraw/zinc/90/80/74/345908074.db2.gz ZLMBXXGKVKYOSJ-UHFFFAOYSA-N 1 0 278.444 3.214 50 0 CGAARO CC1(C)CCCC[C@@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000119785319 345995233 /nfs/dbraw/zinc/99/52/33/345995233.db2.gz BDWNUELHYXDPIC-LBPRGKRZSA-N 1 0 275.352 3.388 50 0 CGAARO CC[C@](C)(NC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000155543738 346154040 /nfs/dbraw/zinc/15/40/40/346154040.db2.gz ZQMFVTPSQLXFNJ-SFHVURJKSA-N 1 0 288.435 3.208 50 0 CGAARO COCc1cc(C[NH2+][C@H](C)C[C@@H]2CCCO2)ccc1F ZINC000170670411 346197107 /nfs/dbraw/zinc/19/71/07/346197107.db2.gz YJHXHVRVCMFZRN-DOMZBBRYSA-N 1 0 281.371 3.019 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)cc1C ZINC000195558112 346274156 /nfs/dbraw/zinc/27/41/56/346274156.db2.gz MBLBOWYKHTVRJV-GOEBONIOSA-N 1 0 299.418 3.174 50 0 CGAARO C[N@H+](CCc1cccs1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248138514 346374403 /nfs/dbraw/zinc/37/44/03/346374403.db2.gz SNUSJZDXGBPEMR-BFHYXJOUSA-N 1 0 265.422 3.036 50 0 CGAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000409421133 346605333 /nfs/dbraw/zinc/60/53/33/346605333.db2.gz MTFIZHYSGQYSBZ-HNNXBMFYSA-N 1 0 287.407 3.033 50 0 CGAARO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000585137340 346725447 /nfs/dbraw/zinc/72/54/47/346725447.db2.gz TWZZKICHDUBPMU-JTQLQIEISA-N 1 0 296.798 3.368 50 0 CGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000091707916 180231131 /nfs/dbraw/zinc/23/11/31/180231131.db2.gz WLTYXDBTRSUIAJ-SFHVURJKSA-N 1 0 288.435 3.321 50 0 CGAARO Cc1ccc(C[NH+]2CCC(c3nc(C)no3)CC2)s1 ZINC000091834623 180266802 /nfs/dbraw/zinc/26/68/02/180266802.db2.gz AKGPUKPYGABXHG-UHFFFAOYSA-N 1 0 277.393 3.128 50 0 CGAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000106744678 186134563 /nfs/dbraw/zinc/13/45/63/186134563.db2.gz ASQSWICOWUXMKR-CHWSQXEVSA-N 1 0 294.826 3.077 50 0 CGAARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000107145138 186160943 /nfs/dbraw/zinc/16/09/43/186160943.db2.gz MXDFCPMFTORGAW-NWDGAFQWSA-N 1 0 256.440 3.167 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000108115433 186205452 /nfs/dbraw/zinc/20/54/52/186205452.db2.gz NTZRUHQFHQAWEP-MGPQQGTHSA-N 1 0 278.396 3.014 50 0 CGAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1cn2ccccc2n1 ZINC000110642430 186308726 /nfs/dbraw/zinc/30/87/26/186308726.db2.gz IPYKMTAWIGWYEB-ZIAGYGMSSA-N 1 0 275.421 3.050 50 0 CGAARO COc1cccc([C@H](O)C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000131166361 187546475 /nfs/dbraw/zinc/54/64/75/187546475.db2.gz ZMMNFJLYRZATHY-KBXCAEBGSA-N 1 0 285.387 3.122 50 0 CGAARO FC(F)(F)c1cc(Br)c2c(c1)C[NH2+]CC2 ZINC000091366390 282915480 /nfs/dbraw/zinc/91/54/80/282915480.db2.gz DVJAPXLHVNGTIU-UHFFFAOYSA-N 1 0 280.087 3.114 50 0 CGAARO C[C@@H](C[NH+](C)C)N(C(=O)c1ccccc1)c1ccccc1 ZINC000002021073 295881225 /nfs/dbraw/zinc/88/12/25/295881225.db2.gz DIZFACPPEWMLEL-HNNXBMFYSA-N 1 0 282.387 3.284 50 0 CGAARO Cc1cccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000178408041 189113851 /nfs/dbraw/zinc/11/38/51/189113851.db2.gz LHYKJOLCAZVUJM-FQEVSTJZSA-N 1 0 287.428 3.364 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000183724526 189366457 /nfs/dbraw/zinc/36/64/57/189366457.db2.gz AOZMQPWXMVOZKT-ZDUSSCGKSA-N 1 0 268.360 3.210 50 0 CGAARO COCc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000183728158 189366524 /nfs/dbraw/zinc/36/65/24/189366524.db2.gz KNSJZUVVSQHFQX-CQSZACIVSA-N 1 0 270.376 3.421 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccs2)cc1OC ZINC000000360132 368348531 /nfs/dbraw/zinc/34/85/31/368348531.db2.gz WISANEWFZGRLER-UHFFFAOYSA-N 1 0 263.362 3.055 50 0 CGAARO Cc1ccc(-n2ncc3c2ncnc3NC(C)C)c(C)c1 ZINC000000425591 368362601 /nfs/dbraw/zinc/36/26/01/368362601.db2.gz HUTAQGAUASDEJF-UHFFFAOYSA-N 1 0 281.363 3.253 50 0 CGAARO CCC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC[NH+](C)C)(C3)C2 ZINC000000499194 368379953 /nfs/dbraw/zinc/37/99/53/368379953.db2.gz DQKPQHOBMBCXJN-CBHXASLJSA-N 1 0 279.424 3.088 50 0 CGAARO [NH3+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572829 368388705 /nfs/dbraw/zinc/38/87/05/368388705.db2.gz CUGXLVXNFZFUFF-CYBMUJFWSA-N 1 0 262.150 3.497 50 0 CGAARO Cc1cc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)ccc1Cl ZINC000001469933 368416657 /nfs/dbraw/zinc/41/66/57/368416657.db2.gz XKWDOTOHUYKZSX-KBPBESRZSA-N 1 0 297.826 3.263 50 0 CGAARO CC[C@H](c1noc(CC[NH+](CC)CC)n1)c1ccccc1 ZINC000001567482 368419736 /nfs/dbraw/zinc/41/97/36/368419736.db2.gz OLTAWOVKGWWERU-HNNXBMFYSA-N 1 0 287.407 3.496 50 0 in-man CGAARO Clc1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000001237507 368405126 /nfs/dbraw/zinc/40/51/26/368405126.db2.gz VDQBXGIKLLSJSC-LLVKDONJSA-N 1 0 295.795 3.440 50 0 CGAARO C[NH+](C)CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000002707265 368472178 /nfs/dbraw/zinc/47/21/78/368472178.db2.gz GIUAEVKRLUBRSQ-FMIVXFBMSA-N 1 0 288.435 3.065 50 0 CGAARO COc1cccc(NC(=O)C[NH2+][C@H](C)CCC(C)C)c1 ZINC000003266358 368499392 /nfs/dbraw/zinc/49/93/92/368499392.db2.gz IBYCYQCQPINKOI-CYBMUJFWSA-N 1 0 278.396 3.048 50 0 CGAARO COc1ccc(C[NH2+]C(C)(C)C)cc1Br ZINC000002883670 368483723 /nfs/dbraw/zinc/48/37/23/368483723.db2.gz HTGQHVQVRQVYPT-UHFFFAOYSA-N 1 0 272.186 3.346 50 0 CGAARO CC(C)[NH2+]CCOCCOc1c(Cl)cccc1Cl ZINC000002981084 368486488 /nfs/dbraw/zinc/48/64/88/368486488.db2.gz JMDAKFKSIAJCKB-UHFFFAOYSA-N 1 0 292.206 3.387 50 0 CGAARO COCCC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000003003786 368488432 /nfs/dbraw/zinc/48/84/32/368488432.db2.gz GUGYCUUXEYHLGL-UHFFFAOYSA-N 1 0 279.424 3.297 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000003864478 368521325 /nfs/dbraw/zinc/52/13/25/368521325.db2.gz UGFKGDCZWPHAQX-BRSBDYLESA-N 1 0 297.483 3.311 50 0 biogenic CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cccc(Cl)c1 ZINC000004673375 368555956 /nfs/dbraw/zinc/55/59/56/368555956.db2.gz QCNOWCQRHCKIHS-GFCCVEGCSA-N 1 0 281.783 3.371 50 0 CGAARO CCOC(=O)C1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000004690139 368556952 /nfs/dbraw/zinc/55/69/52/368556952.db2.gz QXVZWCVVZBYGDE-UHFFFAOYSA-N 1 0 275.392 3.024 50 0 CGAARO C[C@H](CC[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000004988829 368560187 /nfs/dbraw/zinc/56/01/87/368560187.db2.gz FCKZFVZCXHEJDA-QGZVFWFLSA-N 1 0 295.430 3.397 50 0 CGAARO C[C@@H]([C@H](O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000004428179 368546323 /nfs/dbraw/zinc/54/63/23/368546323.db2.gz CYSKFZFCHQFFTL-QMCVRULOSA-N 1 0 263.425 3.048 50 0 CGAARO Cc1c([C@H](C)[NH2+]C2CCC2)cnn1-c1ccccc1 ZINC000011817268 368597147 /nfs/dbraw/zinc/59/71/47/368597147.db2.gz HOZCHFGFGRULQL-LBPRGKRZSA-N 1 0 255.365 3.384 50 0 CGAARO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000010540220 368583973 /nfs/dbraw/zinc/58/39/73/368583973.db2.gz LKWXHZKVBVXYFL-UHFFFAOYSA-N 1 0 294.826 3.192 50 0 CGAARO Clc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000012359734 368609560 /nfs/dbraw/zinc/60/95/60/368609560.db2.gz QPXZSTSEYCYKLI-UHFFFAOYSA-N 1 0 261.756 3.128 50 0 CGAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000013745273 368665575 /nfs/dbraw/zinc/66/55/75/368665575.db2.gz WMEZMZUHVYDFNQ-UHFFFAOYSA-N 1 0 286.419 3.086 50 0 CGAARO CSc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000013670909 368660879 /nfs/dbraw/zinc/66/08/79/368660879.db2.gz KKMHONJNHYLKOM-UHFFFAOYSA-N 1 0 292.448 3.014 50 0 CGAARO C[C@H]1C[N@H+](Cc2ccccc2)Cc2ccccc2O1 ZINC000015001969 368687910 /nfs/dbraw/zinc/68/79/10/368687910.db2.gz IYSYEILZOPXXHL-AWEZNQCLSA-N 1 0 253.345 3.470 50 0 CGAARO O[C@H](C[NH2+]C1CCCC1)COc1cccc2ccccc21 ZINC000017201208 368729863 /nfs/dbraw/zinc/72/98/63/368729863.db2.gz XFGDOVZEPVVRGF-MRXNPFEDSA-N 1 0 285.387 3.112 50 0 CGAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000017245389 368730192 /nfs/dbraw/zinc/73/01/92/368730192.db2.gz GVEMSOPLYLTIQY-NVXWUHKLSA-N 1 0 299.414 3.311 50 0 CGAARO COc1ccc(OC)c(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000019720837 368761989 /nfs/dbraw/zinc/76/19/89/368761989.db2.gz KWRYZXFVBBUOAC-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127213690 370950120 /nfs/dbraw/zinc/95/01/20/370950120.db2.gz INTHERKCYBJFMN-RVMXOQNASA-N 1 0 279.346 3.248 50 0 CGAARO Oc1ccc(C[NH+]2CCCCCC2)c2cccnc12 ZINC000019897735 368776302 /nfs/dbraw/zinc/77/63/02/368776302.db2.gz XRTMJBANLXBOSA-UHFFFAOYSA-N 1 0 256.349 3.316 50 0 CGAARO O[C@@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC23CCC3)CC1 ZINC000019229115 368745771 /nfs/dbraw/zinc/74/57/71/368745771.db2.gz ZZAPDSQVUPAWDJ-MOPGFXCFSA-N 1 0 299.458 3.492 50 0 CGAARO CCOc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019359821 368750190 /nfs/dbraw/zinc/75/01/90/368750190.db2.gz KSHMLZIJNLIQMN-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO COc1ccc(C[N@H+](C)CCc2ccccn2)c(C)c1C ZINC000023115273 368816852 /nfs/dbraw/zinc/81/68/52/368816852.db2.gz DIJAHGRQFZWALT-UHFFFAOYSA-N 1 0 284.403 3.382 50 0 CGAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC=CCC1 ZINC000024189610 368828713 /nfs/dbraw/zinc/82/87/13/368828713.db2.gz GJGDXYVMUMRGIG-MRXNPFEDSA-N 1 0 298.430 3.255 50 0 CGAARO COc1ccc2[nH]cc(CC[NH2+]Cc3ccco3)c2c1 ZINC000019944009 368787561 /nfs/dbraw/zinc/78/75/61/368787561.db2.gz JIJHHZDWYPRRIX-UHFFFAOYSA-N 1 0 270.332 3.102 50 0 CGAARO CC[NH+](CC)CCNc1nc2c(cc(F)cc2F)s1 ZINC000026424033 368857772 /nfs/dbraw/zinc/85/77/72/368857772.db2.gz PYOXVCFRUDVFEV-UHFFFAOYSA-N 1 0 285.363 3.328 50 0 CGAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000030640858 368905069 /nfs/dbraw/zinc/90/50/69/368905069.db2.gz KCEUPXMTSKLBOK-ZDUSSCGKSA-N 1 0 283.375 3.281 50 0 CGAARO CCc1ccc([C@@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000032108699 368924494 /nfs/dbraw/zinc/92/44/94/368924494.db2.gz LQSOEPAYZCMLMT-KRWDZBQOSA-N 1 0 255.361 3.072 50 0 CGAARO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2ccccc2)c(C)c1 ZINC000035111664 368997624 /nfs/dbraw/zinc/99/76/24/368997624.db2.gz QLSIKEPNDHIEEJ-GOSISDBHSA-N 1 0 269.388 3.435 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CCCCC1 ZINC000035132877 369000253 /nfs/dbraw/zinc/00/02/53/369000253.db2.gz NXLDDMTXCQKZDI-NWDGAFQWSA-N 1 0 280.437 3.236 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036096899 369008637 /nfs/dbraw/zinc/00/86/37/369008637.db2.gz PJDZEFDKOJSNAL-WBVHZDCISA-N 1 0 293.451 3.463 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000037163112 369074308 /nfs/dbraw/zinc/07/43/08/369074308.db2.gz PLVWIHGBFNUOAD-JTQLQIEISA-N 1 0 287.388 3.077 50 0 CGAARO Fc1cc(F)cc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000042774020 369232573 /nfs/dbraw/zinc/23/25/73/369232573.db2.gz MPPIKAWVPADAMP-CQSZACIVSA-N 1 0 255.308 3.014 50 0 CGAARO Clc1ccc(OC2CC[NH2+]CC2)c2ncccc12 ZINC000042775720 369232077 /nfs/dbraw/zinc/23/20/77/369232077.db2.gz ZFQLDFDYUOXZMH-UHFFFAOYSA-N 1 0 262.740 3.019 50 0 CGAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccn1C ZINC000049537686 369407532 /nfs/dbraw/zinc/40/75/32/369407532.db2.gz FZQLHDPONUDIQE-ZDUSSCGKSA-N 1 0 258.365 3.193 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC000057159523 369532216 /nfs/dbraw/zinc/53/22/16/369532216.db2.gz HPDMUTXWACQDJW-MRXNPFEDSA-N 1 0 274.408 3.024 50 0 CGAARO CCOC(=O)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000057541780 369540665 /nfs/dbraw/zinc/54/06/65/369540665.db2.gz DRBYREBQTXOEPR-JTQLQIEISA-N 1 0 295.688 3.312 50 0 CGAARO CCOC(=O)CC[N@@H+](Cc1cc(C)ccc1C)CC1CC1 ZINC000058162307 369557340 /nfs/dbraw/zinc/55/73/40/369557340.db2.gz HJYSJSRFQWOLTE-UHFFFAOYSA-N 1 0 289.419 3.469 50 0 CGAARO CC[NH+](CC)CCOc1ccccc1NC(=O)C1CCC1 ZINC000058393261 369567680 /nfs/dbraw/zinc/56/76/80/369567680.db2.gz XQDDYBFTZJBEPF-UHFFFAOYSA-N 1 0 290.407 3.146 50 0 CGAARO CC1(c2cccc(Br)c2)CC[NH2+]CC1 ZINC000062951015 369633058 /nfs/dbraw/zinc/63/30/58/369633058.db2.gz PEAKDUGSNWJNOK-UHFFFAOYSA-N 1 0 254.171 3.090 50 0 CGAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1ccoc1 ZINC000065387819 369670794 /nfs/dbraw/zinc/67/07/94/369670794.db2.gz LUVHNWRGRPBSMF-UHFFFAOYSA-N 1 0 268.320 3.354 50 0 CGAARO C/C=C(\C)C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000065404006 369674050 /nfs/dbraw/zinc/67/40/50/369674050.db2.gz RMWLTYFWWAMPGS-LZWSPWQCSA-N 1 0 260.381 3.029 50 0 CGAARO COC[C@@H](C)[NH2+]CCc1c(OC)ccc2ccccc21 ZINC000065404561 369674732 /nfs/dbraw/zinc/67/47/32/369674732.db2.gz VUJJHORLIRHWHH-CYBMUJFWSA-N 1 0 273.376 3.015 50 0 CGAARO CC(C)[N@H+](C)CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000065565906 369684335 /nfs/dbraw/zinc/68/43/35/369684335.db2.gz BJOTYSRGPUGQAZ-UHFFFAOYSA-N 1 0 282.387 3.217 50 0 CGAARO Clc1cccc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000068592403 369745071 /nfs/dbraw/zinc/74/50/71/369745071.db2.gz QSBAZMORFIMCHS-LBPRGKRZSA-N 1 0 289.766 3.247 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460266 369760480 /nfs/dbraw/zinc/76/04/80/369760480.db2.gz NVWCMVPHPUKQHQ-QWHCGFSZSA-N 1 0 296.374 3.022 50 0 CGAARO Clc1ccc(-c2nccn2CCc2c[nH]cn2)cc1 ZINC000067713992 369725396 /nfs/dbraw/zinc/72/53/96/369725396.db2.gz DHCNTDPVQZDBLI-UHFFFAOYSA-N 1 0 272.739 3.169 50 0 CGAARO C[NH+](C)Cc1ccccc1Oc1ccc(CO)cc1 ZINC000067851239 369733720 /nfs/dbraw/zinc/73/37/20/369733720.db2.gz OYSRCXCIJWYJGB-UHFFFAOYSA-N 1 0 257.333 3.033 50 0 CGAARO C[NH+](C)Cc1ccccc1Oc1cccc(CO)c1 ZINC000067883891 369733968 /nfs/dbraw/zinc/73/39/68/369733968.db2.gz ADLOSBQRNHCBOI-UHFFFAOYSA-N 1 0 257.333 3.033 50 0 CGAARO CC(C)c1csc(-c2nccn2CCC[NH+](C)C)n1 ZINC000067956339 369736384 /nfs/dbraw/zinc/73/63/84/369736384.db2.gz BYYYDFITBOLWDS-UHFFFAOYSA-N 1 0 278.425 3.082 50 0 CGAARO CCc1cc(CN2CCCC[C@H]2CC[NH+]2CCCC2)on1 ZINC000072475179 369822738 /nfs/dbraw/zinc/82/27/38/369822738.db2.gz YTAMBMBUOZUICS-INIZCTEOSA-N 1 0 291.439 3.077 50 0 CGAARO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC000078947925 369957659 /nfs/dbraw/zinc/95/76/59/369957659.db2.gz FZUWAYQASXMSGK-QZTJIDSGSA-N 1 0 282.387 3.170 50 0 CGAARO C1=C(CC[NH2+]C2CCN(Cc3ccncc3)CC2)CCC1 ZINC000090798578 370070008 /nfs/dbraw/zinc/07/00/08/370070008.db2.gz SYCBSIAJQIKZTO-UHFFFAOYSA-N 1 0 285.435 3.136 50 0 CGAARO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000089913466 370050895 /nfs/dbraw/zinc/05/08/95/370050895.db2.gz PDEROXNMUPNULT-NHYWBVRUSA-N 1 0 277.389 3.141 50 0 CGAARO CN(Cc1cnc(C2CCCC2)s1)CC(C)(C)C[NH3+] ZINC000097095742 370225151 /nfs/dbraw/zinc/22/51/51/370225151.db2.gz CYJVHMGVGYBJKB-UHFFFAOYSA-N 1 0 281.469 3.217 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000097109566 370225950 /nfs/dbraw/zinc/22/59/50/370225950.db2.gz RRYYDZMYLCLQFU-OAHLLOKOSA-N 1 0 292.386 3.460 50 0 CGAARO Cc1nnc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)n1C1CC1 ZINC000097110012 370226289 /nfs/dbraw/zinc/22/62/89/370226289.db2.gz XVPMPDGTNJZDNM-QWHCGFSZSA-N 1 0 284.407 3.203 50 0 CGAARO COc1cccc([C@@H]2CC[N@H+](CCCSC)C2)c1OC ZINC000097492571 370243463 /nfs/dbraw/zinc/24/34/63/370243463.db2.gz QJSRFEJYEHGLRF-CYBMUJFWSA-N 1 0 295.448 3.246 50 0 CGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2nonc21 ZINC000097578563 370247277 /nfs/dbraw/zinc/24/72/77/370247277.db2.gz FAEPHHHELWAJDN-AWEZNQCLSA-N 1 0 298.346 3.165 50 0 CGAARO COc1cccc([C@H]2CCCCN2Cc2c[nH]cn2)c1 ZINC000097655545 370249737 /nfs/dbraw/zinc/24/97/37/370249737.db2.gz KCCNYYXHOUYPEX-MRXNPFEDSA-N 1 0 271.364 3.146 50 0 CGAARO COc1cc(C[NH2+][C@H](CC(C)C)c2ccccn2)ccn1 ZINC000095419996 370186840 /nfs/dbraw/zinc/18/68/40/370186840.db2.gz VHFBUPZFGMWHFP-MRXNPFEDSA-N 1 0 285.391 3.362 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)ccn1 ZINC000095420004 370186921 /nfs/dbraw/zinc/18/69/21/370186921.db2.gz BIUKYGCHFJYQHQ-OAHLLOKOSA-N 1 0 272.323 3.006 50 0 CGAARO c1ccc(CC[NH2+][C@@H]2CSCCc3ccccc32)nc1 ZINC000095419163 370187099 /nfs/dbraw/zinc/18/70/99/370187099.db2.gz IDVFNDGUHPXHCP-QGZVFWFLSA-N 1 0 284.428 3.244 50 0 CGAARO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1c(C)nn(C)c1C ZINC000095419701 370187251 /nfs/dbraw/zinc/18/72/51/370187251.db2.gz LMSIKJHKZSUSSN-CVEARBPZSA-N 1 0 299.418 3.081 50 0 CGAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCCO)CC2 ZINC000095423115 370190232 /nfs/dbraw/zinc/19/02/32/370190232.db2.gz QNYYZSIWGOVDQD-SFHVURJKSA-N 1 0 297.398 3.143 50 0 CGAARO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cnn1C ZINC000095440003 370194388 /nfs/dbraw/zinc/19/43/88/370194388.db2.gz BGYSUVLXPBOPGY-GFCCVEGCSA-N 1 0 269.392 3.068 50 0 CGAARO CCC[C@@H](C)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000095450144 370196540 /nfs/dbraw/zinc/19/65/40/370196540.db2.gz USIHUBCJHGWPLL-WBVHZDCISA-N 1 0 288.435 3.376 50 0 CGAARO CSc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000095503204 370201939 /nfs/dbraw/zinc/20/19/39/370201939.db2.gz KJPXFWRLRBTIKG-ZDUSSCGKSA-N 1 0 293.436 3.014 50 0 CGAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc3ncccc3c1)C2 ZINC000102232165 370300439 /nfs/dbraw/zinc/30/04/39/370300439.db2.gz HCWQITYPVNVONV-DZFIZOCASA-N 1 0 295.430 3.007 50 0 CGAARO COC1([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)CCCC1 ZINC000421829382 371653793 /nfs/dbraw/zinc/65/37/93/371653793.db2.gz HSCIZTNQKBXRGL-RDJZCZTQSA-N 1 0 291.435 3.090 50 0 CGAARO Cc1[nH]nc(C(C)C)c1-c1cccc(CN2CCOCC2)c1 ZINC000426383153 372156124 /nfs/dbraw/zinc/15/61/24/372156124.db2.gz SIKRJZUWZDSRPL-UHFFFAOYSA-N 1 0 299.418 3.341 50 0 CGAARO COc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1F ZINC000426509545 372161197 /nfs/dbraw/zinc/16/11/97/372161197.db2.gz STBCZGNHGZIOFP-UHFFFAOYSA-N 1 0 286.350 3.492 50 0 CGAARO Cc1cccc(CNC(=O)CC[C@H](C)[NH+]2CCCC2)c1C ZINC000426510152 372161222 /nfs/dbraw/zinc/16/12/22/372161222.db2.gz ONQMMIWLJGBBKA-HNNXBMFYSA-N 1 0 288.435 3.184 50 0 CGAARO C[N@H+](Cc1cc(C(F)(F)F)ccc1F)CC(C)(C)CO ZINC000449430698 373709402 /nfs/dbraw/zinc/70/94/02/373709402.db2.gz WIUOWVQESCAPNU-UHFFFAOYSA-N 1 0 293.304 3.295 50 0 CGAARO C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CC(C)(C)CO ZINC000449431839 373709966 /nfs/dbraw/zinc/70/99/66/373709966.db2.gz ZHQISWYIGUFSKB-UHFFFAOYSA-N 1 0 293.304 3.295 50 0 CGAARO CCOC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000179728387 373909614 /nfs/dbraw/zinc/90/96/14/373909614.db2.gz KQHKOAGBTQZECV-UHFFFAOYSA-N 1 0 299.418 3.088 50 0 CGAARO Cc1ccc(Br)cc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000190698668 375532181 /nfs/dbraw/zinc/53/21/81/375532181.db2.gz RMQMBCKVNLHCKF-NEPJUHHUSA-N 1 0 298.224 3.272 50 0 CGAARO CC[C@@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CCCO1 ZINC000191486474 375633684 /nfs/dbraw/zinc/63/36/84/375633684.db2.gz OSUQLHSUGOLRDF-MNOVXSKESA-N 1 0 288.185 3.089 50 0 CGAARO CC(C)=CCN1CCC([NH2+]C/C=C/c2ccco2)CC1 ZINC000195546947 376111352 /nfs/dbraw/zinc/11/13/52/376111352.db2.gz PAHJCHIDKKNJDU-HWKANZROSA-N 1 0 274.408 3.313 50 0 CGAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558632 376111842 /nfs/dbraw/zinc/11/18/42/376111842.db2.gz IJEUWPKURIVJEB-WCFLWFBJSA-N 1 0 280.437 3.163 50 0 CGAARO Cc1nc(CN(C)CC(C)(C)C[NH+]2CCCC2)cs1 ZINC000215121061 376147588 /nfs/dbraw/zinc/14/75/88/376147588.db2.gz VQPJYLJDJBKZFR-UHFFFAOYSA-N 1 0 281.469 3.005 50 0 CGAARO Cn1ccc2cc(C[N@@H+]3CCOC4(CCCC4)C3)ccc21 ZINC000215514356 376148449 /nfs/dbraw/zinc/14/84/49/376148449.db2.gz RZPVWNJHZQOKKA-UHFFFAOYSA-N 1 0 284.403 3.323 50 0 CGAARO COCCOC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000216079578 376157050 /nfs/dbraw/zinc/15/70/50/376157050.db2.gz SBKMJGBAMVSVKY-UHFFFAOYSA-N 1 0 295.448 3.036 50 0 CGAARO CCc1ccc(CN(C)Cc2c(C)nc3ccccn32)nc1 ZINC000216168541 376159103 /nfs/dbraw/zinc/15/91/03/376159103.db2.gz HNSAOVBNHHWTIL-UHFFFAOYSA-N 1 0 294.402 3.232 50 0 CGAARO CCCn1ncc(CN(C)[C@H](C)c2cccnc2)c1C ZINC000216157466 376159550 /nfs/dbraw/zinc/15/95/50/376159550.db2.gz LXVVKIPCIDKRNR-CYBMUJFWSA-N 1 0 272.396 3.190 50 0 CGAARO C[N@H+](CCC1(O)CCCC1)Cc1cccc2cc[nH]c21 ZINC000216379161 376163558 /nfs/dbraw/zinc/16/35/58/376163558.db2.gz VCAAOBNDBQQWTF-UHFFFAOYSA-N 1 0 272.392 3.295 50 0 CGAARO CCc1ncc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cn1 ZINC000223151288 376248149 /nfs/dbraw/zinc/24/81/49/376248149.db2.gz KKRGAMUGHUIJLE-AWEZNQCLSA-N 1 0 299.418 3.111 50 0 CGAARO CC(C)CC[NH2+]C1CCN(Cc2ccsc2)CC1 ZINC000225413799 376308357 /nfs/dbraw/zinc/30/83/57/376308357.db2.gz BFTSYSXNQLBPGJ-UHFFFAOYSA-N 1 0 266.454 3.348 50 0 CGAARO Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@H]3C(C)C)nc12 ZINC000225395873 376306520 /nfs/dbraw/zinc/30/65/20/376306520.db2.gz ORCJAYNXDBJJAY-INIZCTEOSA-N 1 0 299.418 3.013 50 0 CGAARO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000242339117 376781393 /nfs/dbraw/zinc/78/13/93/376781393.db2.gz ZFAMIJAOYNIUAO-GDBMZVCRSA-N 1 0 298.386 3.153 50 0 CGAARO c1coc(CCC[N@@H+]2CCOc3ccccc3C2)c1 ZINC000244734937 376794755 /nfs/dbraw/zinc/79/47/55/376794755.db2.gz NOFBJVGOWPEEHI-UHFFFAOYSA-N 1 0 257.333 3.107 50 0 CGAARO Fc1ccc([C@H]2CC[N@@H+]2CCc2ccccn2)cc1 ZINC000244735076 376796411 /nfs/dbraw/zinc/79/64/11/376796411.db2.gz NSSSYJAJARIFBC-MRXNPFEDSA-N 1 0 256.324 3.210 50 0 CGAARO Fc1ccc(/C=C/C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000245731523 376894923 /nfs/dbraw/zinc/89/49/23/376894923.db2.gz FFCZFXVVVCFKIB-RWAOMAIQSA-N 1 0 293.407 3.045 50 0 CGAARO C[C@H](CN(C)Cc1ccc2ncccc2c1)[NH+]1CCCC1 ZINC000252480455 377626243 /nfs/dbraw/zinc/62/62/43/377626243.db2.gz CANQOOTVSZBZHS-OAHLLOKOSA-N 1 0 283.419 3.151 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000252513272 377635204 /nfs/dbraw/zinc/63/52/04/377635204.db2.gz XZOVXEARMQFIAA-BSDSXHPESA-N 1 0 283.415 3.091 50 0 CGAARO Cc1cc(C[NH+]2CCC(c3cccs3)CC2)on1 ZINC000575607241 377921708 /nfs/dbraw/zinc/92/17/08/377921708.db2.gz MTCORGSCWRJFDG-UHFFFAOYSA-N 1 0 262.378 3.424 50 0 CGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2sccc2c1 ZINC000262762110 377908159 /nfs/dbraw/zinc/90/81/59/377908159.db2.gz QURREHYUOWPQQC-FZMZJTMJSA-N 1 0 288.416 3.243 50 0 CGAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCC(C)(C)C2)C1 ZINC000344469283 378173962 /nfs/dbraw/zinc/17/39/62/378173962.db2.gz UVTHTYBOOCXGFW-CABCVRRESA-N 1 0 280.456 3.049 50 0 CGAARO C[C@@]12CC[C@@H](C1)C(C)(C)[N@H+](Cc1nnc(C3CC3)o1)C2 ZINC000583651716 378339167 /nfs/dbraw/zinc/33/91/67/378339167.db2.gz RRGGDDVCAYSDIH-BLLLJJGKSA-N 1 0 275.396 3.348 50 0 CGAARO CCS[C@H]1CCC[C@H]1[NH2+]CCc1csc(C)n1 ZINC000348479508 378964147 /nfs/dbraw/zinc/96/41/47/378964147.db2.gz OUYAVRMXXGILGK-OLZOCXBDSA-N 1 0 270.467 3.258 50 0 CGAARO C[C@H](c1nc(-c2cscn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000278747921 194136395 /nfs/dbraw/zinc/13/63/95/194136395.db2.gz QWGXLZPBLVVKRZ-KXUCPTDWSA-N 1 0 278.381 3.127 50 0 CGAARO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1nsc2ccccc21 ZINC000408525482 380016749 /nfs/dbraw/zinc/01/67/49/380016749.db2.gz GBAFUKMOJRSYLG-ZSBIGDGJSA-N 1 0 276.405 3.030 50 0 CGAARO CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000251738381 542347674 /nfs/dbraw/zinc/34/76/74/542347674.db2.gz SYOZACZHKPMCKL-MGLUKCQKSA-N 1 0 250.430 3.170 50 0 CGAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCC1 ZINC000004279607 285307438 /nfs/dbraw/zinc/30/74/38/285307438.db2.gz IVSJAROWKRYGQL-GOSISDBHSA-N 1 0 297.398 3.189 50 0 CGAARO CC[NH+]1CCC(CC(=O)N[C@H](C)C2=CCCCC2)CC1 ZINC000095371532 184957205 /nfs/dbraw/zinc/95/72/05/184957205.db2.gz SPBLFSPDFMBLFU-CQSZACIVSA-N 1 0 278.440 3.114 50 0 CGAARO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccs1 ZINC000095421414 184976875 /nfs/dbraw/zinc/97/68/75/184976875.db2.gz DZBFPDDNVCREBY-CYBMUJFWSA-N 1 0 288.416 3.105 50 0 CGAARO Cc1ccc2c(c1)[C@H]([NH2+]CCCc1cnn(C)c1)CCCO2 ZINC000095421675 184976985 /nfs/dbraw/zinc/97/69/85/184976985.db2.gz FXOFHBQHGONJFT-QGZVFWFLSA-N 1 0 299.418 3.165 50 0 CGAARO CC(C)CC(=O)OCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095467967 184995008 /nfs/dbraw/zinc/99/50/08/184995008.db2.gz YCFRNKDCBGNXJU-KRWDZBQOSA-N 1 0 289.419 3.488 50 0 CGAARO CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662738 391952890 /nfs/dbraw/zinc/95/28/90/391952890.db2.gz ATSJDSWRVWTGNM-ZDUSSCGKSA-N 1 0 280.437 3.191 50 0 CGAARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000069630119 392173844 /nfs/dbraw/zinc/17/38/44/392173844.db2.gz NACBVWGUOURYQI-BLLLJJGKSA-N 1 0 288.366 3.109 50 0 CGAARO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCCCCO ZINC000096421812 392252461 /nfs/dbraw/zinc/25/24/61/392252461.db2.gz RRIXJXPOMQVJMU-JSGCOSHPSA-N 1 0 253.411 3.089 50 0 CGAARO C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000096421680 392252659 /nfs/dbraw/zinc/25/26/59/392252659.db2.gz RISXDOIQQIWKJQ-ROUUACIJSA-N 1 0 294.398 3.034 50 0 CGAARO OCc1ccccc1C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000372971439 392651599 /nfs/dbraw/zinc/65/15/99/392651599.db2.gz CIKOABQJEKODPV-QGZVFWFLSA-N 1 0 287.403 3.051 50 0 CGAARO COc1cc2c(cc1C[N@H+](C)CCc1ccccn1)CCC2 ZINC000215158946 392986982 /nfs/dbraw/zinc/98/69/82/392986982.db2.gz RLDWWHAKGKCHNK-UHFFFAOYSA-N 1 0 296.414 3.253 50 0 CGAARO CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000242038562 393037357 /nfs/dbraw/zinc/03/73/57/393037357.db2.gz VMEBZONBCVZZPH-JYJNAYRXSA-N 1 0 280.456 3.146 50 0 CGAARO C[N@@H+]1CC[C@]2(C1)CCCN(c1nc3ccccc3s1)C2 ZINC000670457016 543155231 /nfs/dbraw/zinc/15/52/31/543155231.db2.gz OZRVLSDBLGEWQI-INIZCTEOSA-N 1 0 287.432 3.218 50 0 CGAARO Clc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000670464050 543156625 /nfs/dbraw/zinc/15/66/25/543156625.db2.gz ITEUCDUUHNQBTK-SNVBAGLBSA-N 1 0 265.744 3.036 50 0 CGAARO Cc1ccccc1OCCCCCC[NH+]1CCN(C)CC1 ZINC000022029539 397605537 /nfs/dbraw/zinc/60/55/37/397605537.db2.gz ONGOLOCOEJYHOW-UHFFFAOYSA-N 1 0 290.451 3.182 50 0 CGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(F)c1 ZINC000239328921 397668846 /nfs/dbraw/zinc/66/88/46/397668846.db2.gz JVHNIHNMWCWAFX-KGLIPLIRSA-N 1 0 290.382 3.276 50 0 CGAARO COc1ccc(-c2c[nH+]ccc2N)c(-n2nc(C)cc2C)c1 ZINC000032540566 286263834 /nfs/dbraw/zinc/26/38/34/286263834.db2.gz KIFFFDPCHUWMDZ-UHFFFAOYSA-N 1 0 294.358 3.142 50 0 CGAARO c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000090453703 165236896 /nfs/dbraw/zinc/23/68/96/165236896.db2.gz LGQCTESZNAVOTH-SWLSCSKDSA-N 1 0 285.416 3.094 50 0 CGAARO CC[NH+](CC)CCNC(=O)Nc1c(C)cccc1Cl ZINC000002159884 169777660 /nfs/dbraw/zinc/77/76/60/169777660.db2.gz PPLBBMRSTIIKLJ-UHFFFAOYSA-N 1 0 283.803 3.112 50 0 CGAARO CCOc1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000004745778 170010629 /nfs/dbraw/zinc/01/06/29/170010629.db2.gz CFTULVCEAKZFAT-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004942889 170043657 /nfs/dbraw/zinc/04/36/57/170043657.db2.gz VJNNOQGSQMESLE-ZDUSSCGKSA-N 1 0 279.767 3.461 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000004989363 170050035 /nfs/dbraw/zinc/05/00/35/170050035.db2.gz DWGYSHSLCSXWCB-UKRRQHHQSA-N 1 0 277.408 3.415 50 0 CGAARO Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc12 ZINC000004993279 170051353 /nfs/dbraw/zinc/05/13/53/170051353.db2.gz GBDCUFKFQDTYCB-UHFFFAOYSA-N 1 0 292.382 3.435 50 0 CGAARO COc1cccc(OCCCC[NH2+]C(C)(C)C)c1 ZINC000004997383 170052271 /nfs/dbraw/zinc/05/22/71/170052271.db2.gz LZYKTIUAYFBIPQ-UHFFFAOYSA-N 1 0 251.370 3.242 50 0 CGAARO c1ccc(-c2nnc(C[NH+]3CCCCCC3)o2)cc1 ZINC000005452028 170100295 /nfs/dbraw/zinc/10/02/95/170100295.db2.gz UTCJFTCDESUEGM-UHFFFAOYSA-N 1 0 257.337 3.113 50 0 CGAARO CCC(=O)O[C@@](CC)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000005497947 170104890 /nfs/dbraw/zinc/10/48/90/170104890.db2.gz GVNNTSYXCWHSKN-WBVHZDCISA-N 1 0 275.392 3.197 50 0 CGAARO COc1cccc(C[N@H+](C)C2CCCCC2)c1OC ZINC000005719635 170132633 /nfs/dbraw/zinc/13/26/33/170132633.db2.gz YAQFUCKZHJZHSD-UHFFFAOYSA-N 1 0 263.381 3.468 50 0 CGAARO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCCCCC1 ZINC000005777779 170139712 /nfs/dbraw/zinc/13/97/12/170139712.db2.gz WQCXXEXLBNPQMH-QGZVFWFLSA-N 1 0 299.414 3.456 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1CNc1[nH]c(=S)nc2ccccc21 ZINC000006350234 170194766 /nfs/dbraw/zinc/19/47/66/170194766.db2.gz ISDPFHRQASNMSW-LLVKDONJSA-N 1 0 288.420 3.189 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000006744089 170238937 /nfs/dbraw/zinc/23/89/37/170238937.db2.gz QKNYKKGZMVNWIS-GOSISDBHSA-N 1 0 299.414 3.435 50 0 CGAARO C[NH+](C)C[C@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000007816513 170303978 /nfs/dbraw/zinc/30/39/78/170303978.db2.gz OXWINSKYHKYYND-SFHVURJKSA-N 1 0 296.414 3.038 50 0 CGAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[NH+]1CCCC1 ZINC000008584528 170342215 /nfs/dbraw/zinc/34/22/15/170342215.db2.gz VPGMRSJOXHUOLH-UHFFFAOYSA-N 1 0 276.767 3.086 50 0 CGAARO Cc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008700833 170346599 /nfs/dbraw/zinc/34/65/99/170346599.db2.gz BGEZXJYWYOMTJB-UHFFFAOYSA-N 1 0 256.349 3.153 50 0 CGAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000008727357 170349983 /nfs/dbraw/zinc/34/99/83/170349983.db2.gz FTYGKUVHBYFRFL-CQSZACIVSA-N 1 0 286.419 3.201 50 0 CGAARO C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000012370487 170480599 /nfs/dbraw/zinc/48/05/99/170480599.db2.gz LCAGYYAWWFGGQU-UHFFFAOYSA-N 1 0 266.266 3.487 50 0 CGAARO COCCC[NH2+]C[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000019738580 170851622 /nfs/dbraw/zinc/85/16/22/170851622.db2.gz KMQCJWYHMCPKKI-CQSZACIVSA-N 1 0 265.397 3.203 50 0 CGAARO C[C@H]([NH3+])c1ccc(-n2cnc3ccccc32)c(F)c1 ZINC000019872923 170902631 /nfs/dbraw/zinc/90/26/31/170902631.db2.gz LJEUPXPVFYQMCI-JTQLQIEISA-N 1 0 255.296 3.184 50 0 CGAARO CCCC[NH2+]Cc1cc(Br)ccc1F ZINC000019906904 170919155 /nfs/dbraw/zinc/91/91/55/170919155.db2.gz RGRPZOYHRWCMEX-UHFFFAOYSA-N 1 0 260.150 3.478 50 0 CGAARO Cc1cccc(C)c1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167194 171040517 /nfs/dbraw/zinc/04/05/17/171040517.db2.gz SDNGLFJQUUNUGS-HOTGVXAUSA-N 1 0 277.408 3.182 50 0 CGAARO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000020928040 171280293 /nfs/dbraw/zinc/28/02/93/171280293.db2.gz RGEKSGSRGHLZBH-HNNXBMFYSA-N 1 0 291.778 3.172 50 0 CGAARO Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1F ZINC000024643581 171438467 /nfs/dbraw/zinc/43/84/67/171438467.db2.gz NKJOHNWIPMQFCH-UHFFFAOYSA-N 1 0 286.350 3.448 50 0 CGAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@H]1CCSC1 ZINC000032520407 171731873 /nfs/dbraw/zinc/73/18/73/171731873.db2.gz BNZIGBVZQQFVCX-OLZOCXBDSA-N 1 0 259.459 3.049 50 0 CGAARO FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000035223356 172067062 /nfs/dbraw/zinc/06/70/62/172067062.db2.gz VRMCUVTYDXMADF-NSHDSACASA-N 1 0 291.725 3.210 50 0 CGAARO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccs1 ZINC000035736805 172389644 /nfs/dbraw/zinc/38/96/44/172389644.db2.gz CRHCNUFSDTWGJL-YPMHNXCESA-N 1 0 274.389 3.015 50 0 CGAARO [NH3+]CCc1ccccc1-c1ccc(-c2cc[nH]n2)cc1 ZINC000067739936 175787985 /nfs/dbraw/zinc/78/79/85/175787985.db2.gz ATPWWTQKRFNOAT-UHFFFAOYSA-N 1 0 263.344 3.245 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067742521 175788733 /nfs/dbraw/zinc/78/87/33/175788733.db2.gz COPVYBARKKXJID-SECBINFHSA-N 1 0 283.828 3.448 50 0 CGAARO CC[NH+](CC)[C@@H]1CCN(c2nccc(C3CCCC3)n2)C1 ZINC000071750481 176259653 /nfs/dbraw/zinc/25/96/53/176259653.db2.gz CRFCIENAKDPJSL-OAHLLOKOSA-N 1 0 288.439 3.055 50 0 CGAARO COc1cccc(N2CC[C@H](C[NH2+]C3CCCC3)C2)c1 ZINC000071924596 176301791 /nfs/dbraw/zinc/30/17/91/176301791.db2.gz MDTYUCJGQRZDPF-CQSZACIVSA-N 1 0 274.408 3.054 50 0 CGAARO COc1ccccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000072166787 176331877 /nfs/dbraw/zinc/33/18/77/176331877.db2.gz NXRKESIIIAGHPE-UHFFFAOYSA-N 1 0 298.386 3.134 50 0 CGAARO CS[C@@H](C)CC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000072170010 176332562 /nfs/dbraw/zinc/33/25/62/176332562.db2.gz ALMSBYLDWCLNOA-AWEZNQCLSA-N 1 0 289.448 3.446 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)s1 ZINC000072242433 176349364 /nfs/dbraw/zinc/34/93/64/176349364.db2.gz CXWVKAWWPDSFNH-INIZCTEOSA-N 1 0 298.415 3.179 50 0 CGAARO CC(C)[N@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CC1 ZINC000072274596 176356086 /nfs/dbraw/zinc/35/60/86/176356086.db2.gz ONYAGGDRWABANM-UHFFFAOYSA-N 1 0 290.392 3.224 50 0 CGAARO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(C2CCC2)o1 ZINC000685939535 544110014 /nfs/dbraw/zinc/11/00/14/544110014.db2.gz DSMDHPVUAWZQQN-MRVWCRGKSA-N 1 0 275.396 3.490 50 0 CGAARO Brc1ccc2c(c1)[nH]cc2C1=CC[NH2+]CC1 ZINC000050165974 273474941 /nfs/dbraw/zinc/47/49/41/273474941.db2.gz UOLMBYHWTRHLNQ-UHFFFAOYSA-N 1 0 277.165 3.307 50 0 CGAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc2sccc2c1 ZINC000262762120 274238754 /nfs/dbraw/zinc/23/87/54/274238754.db2.gz QURREHYUOWPQQC-RISCZKNCSA-N 1 0 288.416 3.243 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000071857567 274278289 /nfs/dbraw/zinc/27/82/89/274278289.db2.gz LREUFWQPTRHVSA-YJBOKZPZSA-N 1 0 281.403 3.007 50 0 CGAARO [NH3+]C[C@H]1Cc2cccc(-c3ccnc4ccccc43)c2O1 ZINC000067880525 274953488 /nfs/dbraw/zinc/95/34/88/274953488.db2.gz NMXAOQKCSGQNGN-CYBMUJFWSA-N 1 0 276.339 3.164 50 0 CGAARO CCC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)cc1C ZINC000216236402 276033249 /nfs/dbraw/zinc/03/32/49/276033249.db2.gz RQSNVDGJIYVFLW-OAHLLOKOSA-N 1 0 263.381 3.005 50 0 CGAARO CC[NH+](CC)CCOCCOc1c(C)cccc1C ZINC000002894671 276100424 /nfs/dbraw/zinc/10/04/24/276100424.db2.gz KCRSWSACPBTVCD-UHFFFAOYSA-N 1 0 265.397 3.041 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717509 276109876 /nfs/dbraw/zinc/10/98/76/276109876.db2.gz KMIZQKVCYRSLAL-UHFFFAOYSA-N 1 0 287.407 3.157 50 0 CGAARO COC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000130364075 277188007 /nfs/dbraw/zinc/18/80/07/277188007.db2.gz RICFMOGIINFQES-WDEREUQCSA-N 1 0 265.319 3.266 50 0 CGAARO C1CCC2(CC1)C[C@H]([NH2+][C@H]1CCCSC1)CCO2 ZINC000167469802 277759256 /nfs/dbraw/zinc/75/92/56/277759256.db2.gz XSBWOHONZAQMMA-KGLIPLIRSA-N 1 0 269.454 3.354 50 0 CGAARO Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2c(n1O)CCCC2 ZINC000103719147 278581408 /nfs/dbraw/zinc/58/14/08/278581408.db2.gz TUXGHJVMBJSITQ-UHFFFAOYSA-N 1 0 291.758 3.148 50 0 CGAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CCCc2occc21 ZINC000192968077 279371625 /nfs/dbraw/zinc/37/16/25/279371625.db2.gz FDXMKCXODCSMOY-BNOWGMLFSA-N 1 0 275.348 3.352 50 0 CGAARO Cc1cc(=O)c2ccccc2n1C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000095367699 280303427 /nfs/dbraw/zinc/30/34/27/280303427.db2.gz BZMUTWJEONFAKA-HNNXBMFYSA-N 1 0 284.403 3.040 50 0 CGAARO Oc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688796 280453818 /nfs/dbraw/zinc/45/38/18/280453818.db2.gz PBHDVNKOSVXBHD-MRXNPFEDSA-N 1 0 264.328 3.109 50 0 biogenic CGAARO Cc1ccc2cccc(NC(=O)C34CCC[NH+]3CCC4)c2n1 ZINC000253630173 281145171 /nfs/dbraw/zinc/14/51/71/281145171.db2.gz VANOMLDDMHCZFG-UHFFFAOYSA-N 1 0 295.386 3.110 50 0 CGAARO [NH3+]CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005782580 295235318 /nfs/dbraw/zinc/23/53/18/295235318.db2.gz RSGDDSXMTCZCNG-UHFFFAOYSA-N 1 0 271.404 3.492 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000169159259 321912284 /nfs/dbraw/zinc/91/22/84/321912284.db2.gz YKFPAHJGPZRWQF-CZUORRHYSA-N 1 0 253.345 3.341 50 0 CGAARO COC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534640386 328335966 /nfs/dbraw/zinc/33/59/66/328335966.db2.gz NVQLRIMEBYYIKS-NSHDSACASA-N 1 0 253.773 3.040 50 0 CGAARO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccccn1)CCCO2 ZINC000089466898 327170322 /nfs/dbraw/zinc/17/03/22/327170322.db2.gz DVVPZJOKPZZCOX-QGZVFWFLSA-N 1 0 298.386 3.136 50 0 CGAARO c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000306790046 333009914 /nfs/dbraw/zinc/00/99/14/333009914.db2.gz UZRZIWUMJJIJRL-QZTJIDSGSA-N 1 0 278.399 3.255 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)o1 ZINC000096486394 534088552 /nfs/dbraw/zinc/08/85/52/534088552.db2.gz XFXAXXZJSPTZPG-MFKMUULPSA-N 1 0 265.378 3.251 50 0 CGAARO COc1ccc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019872467 524211883 /nfs/dbraw/zinc/21/18/83/524211883.db2.gz OJKFIMNBRYKVMV-HNNXBMFYSA-N 1 0 291.778 3.172 50 0 CGAARO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194942807 534814349 /nfs/dbraw/zinc/81/43/49/534814349.db2.gz XPMXERUNQHAHPQ-LBPRGKRZSA-N 1 0 287.407 3.026 50 0 CGAARO CC(=O)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000002845501 527326577 /nfs/dbraw/zinc/32/65/77/527326577.db2.gz FEKLZNRDNAZOBS-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CC(C)Cc1nsc(N(CC[NH+](C)C)C2CCCC2)n1 ZINC000225813205 528685051 /nfs/dbraw/zinc/68/50/51/528685051.db2.gz ADAOYIIGPGDQOY-UHFFFAOYSA-N 1 0 296.484 3.047 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000004981242 537069920 /nfs/dbraw/zinc/06/99/20/537069920.db2.gz MEPQVZPPPLLVQK-JKSUJKDBSA-N 1 0 288.435 3.396 50 0 CGAARO c1csc(-c2nnc(C[NH+]3C[C@H]4CC=CC[C@@H]4C3)o2)c1 ZINC000084445105 567030475 /nfs/dbraw/zinc/03/04/75/567030475.db2.gz OOYHSKJUMXOXQO-VXGBXAGGSA-N 1 0 287.388 3.196 50 0 CGAARO COCc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000119569808 619283322 /nfs/dbraw/zinc/28/33/22/619283322.db2.gz OMLOPAFFKBSIDL-ZDUSSCGKSA-N 1 0 299.370 3.413 50 0 CGAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000863983903 629721591 /nfs/dbraw/zinc/72/15/91/629721591.db2.gz MVRJFQXSWZMZOT-RVZJWNSFSA-N 1 0 269.454 3.012 50 0 CGAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000952973710 636775888 /nfs/dbraw/zinc/77/58/88/636775888.db2.gz FROSYFDSUGDCKR-UHFFFAOYSA-N 1 0 297.324 3.378 50 0 CGAARO CC(C)[NH+]1CCC(Nc2nc3cc(F)ccc3o2)CC1 ZINC000114446465 638218778 /nfs/dbraw/zinc/21/87/78/638218778.db2.gz SBHVDRJGPQDJRA-UHFFFAOYSA-N 1 0 277.343 3.252 50 0 CGAARO C[C@H](C[N@@H+]1CCC[C@@H](c2ccccc2)C1)n1ccnc1 ZINC000020869532 641044931 /nfs/dbraw/zinc/04/49/31/641044931.db2.gz ISLITEYWWXXSMI-NVXWUHKLSA-N 1 0 269.392 3.324 50 0 CGAARO CCN(Cc1ccncc1)C1C[NH+](CC2CCCCC2)C1 ZINC000581776633 799674251 /nfs/dbraw/zinc/67/42/51/799674251.db2.gz YHTFUMVNEXNCCV-UHFFFAOYSA-N 1 0 287.451 3.168 50 0 CGAARO CC/C(=C\C(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1ccc(C)cc1 ZINC000585086681 799676098 /nfs/dbraw/zinc/67/60/98/799676098.db2.gz TZEUOOXRENWJPS-PBYBUVHISA-N 1 0 286.419 3.127 50 0 CGAARO CCC[C@H]1C=CC[N@@H+]1Cc1cnn(-c2ccccc2OC)c1 ZINC000822804589 800463765 /nfs/dbraw/zinc/46/37/65/800463765.db2.gz GKBBLLCMQCIDGO-INIZCTEOSA-N 1 0 297.402 3.421 50 0 CGAARO Cc1c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)ccn1C ZINC000828187396 800481494 /nfs/dbraw/zinc/48/14/94/800481494.db2.gz RVTBIDMNDSRRGX-UHFFFAOYSA-N 1 0 297.402 3.182 50 0 CGAARO OCc1cccc(C[NH2+][C@H]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000828827620 800483172 /nfs/dbraw/zinc/48/31/72/800483172.db2.gz SUQGDGCCQHIOFM-CWBGTKBPSA-N 1 0 285.431 3.483 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1cnccc1Cl ZINC000952873512 800685820 /nfs/dbraw/zinc/68/58/20/800685820.db2.gz XWVCUBDKQWEBBZ-CYBMUJFWSA-N 1 0 281.831 3.041 50 0 CGAARO CC(C)[C@H]1C[C@]([NH3+])(C(=O)Nc2cccnc2)c2ccccc21 ZINC000952879475 800686043 /nfs/dbraw/zinc/68/60/43/800686043.db2.gz ITYDTUAFQNACFK-CRAIPNDOSA-N 1 0 295.386 3.018 50 0 CGAARO CC(C)(C)c1ccc(OCCOCC[NH+]2CCCC2)cc1 ZINC000005383889 928125269 /nfs/dbraw/zinc/12/52/69/928125269.db2.gz KISXYIDXQVEBEQ-UHFFFAOYSA-N 1 0 291.435 3.475 50 0 CGAARO Fc1ccccc1OC1CC[NH+](Cc2ccoc2)CC1 ZINC001506406420 937989821 /nfs/dbraw/zinc/98/98/21/937989821.db2.gz IHKCHURWVPWXEK-UHFFFAOYSA-N 1 0 275.323 3.462 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCSc2ccccc2)n1 ZINC001506424293 937990063 /nfs/dbraw/zinc/99/00/63/937990063.db2.gz INOAVRWUPRBSPO-CQSZACIVSA-N 1 0 289.448 3.270 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)c1ncc(Cl)cc1F ZINC001529112867 938071063 /nfs/dbraw/zinc/07/10/63/938071063.db2.gz STXUEGGBMSOGKS-UHFFFAOYSA-N 1 0 285.794 3.185 50 0 CGAARO CC/C(C)=C/CC[N@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC001529159253 938071445 /nfs/dbraw/zinc/07/14/45/938071445.db2.gz RDEFVXXEWAQOAN-HNRFISLBSA-N 1 0 280.456 3.312 50 0 CGAARO O[C@H](C[C@H]1CCC[N@@H+]1CCc1ccncc1)c1ccccc1 ZINC000096441732 230373203 /nfs/dbraw/zinc/37/32/03/230373203.db2.gz SPXQQVJGVNOMGZ-RTBURBONSA-N 1 0 296.414 3.212 50 0 CGAARO Cc1cccc([C@@H](C)[NH2+]CCCn2ccnc2)c1C ZINC000096476307 230379518 /nfs/dbraw/zinc/37/95/18/230379518.db2.gz WXHTWFLCJWQHRH-OAHLLOKOSA-N 1 0 257.381 3.241 50 0 CGAARO CC(C)[C@H](C)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000095962557 185044434 /nfs/dbraw/zinc/04/44/34/185044434.db2.gz SMPVQRWRTBSDFA-ZDUSSCGKSA-N 1 0 275.371 3.488 50 0 CGAARO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095968332 185046156 /nfs/dbraw/zinc/04/61/56/185046156.db2.gz VSLIYFHEASXTKQ-SWLSCSKDSA-N 1 0 268.376 3.059 50 0 CGAARO CC(C)=CC[N@H+](C)CCOC(=O)c1cscc1C ZINC000096013274 185065479 /nfs/dbraw/zinc/06/54/79/185065479.db2.gz JKQXFVCJUIRXLN-UHFFFAOYSA-N 1 0 267.394 3.111 50 0 CGAARO C[N@H+](CCc1ccncc1)Cc1nc2c(s1)CCCC2 ZINC000096447131 529937641 /nfs/dbraw/zinc/93/76/41/529937641.db2.gz ZRCLMTPDYLHXBS-UHFFFAOYSA-N 1 0 287.432 3.091 50 0 CGAARO C[C@@H]([NH2+]CCO)[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000002496799 344856946 /nfs/dbraw/zinc/85/69/46/344856946.db2.gz OHQOVQBFELGAJG-JKSUJKDBSA-N 1 0 283.415 3.425 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OC)cc1 ZINC000072298478 345408738 /nfs/dbraw/zinc/40/87/38/345408738.db2.gz PZVGOUOLNIKLFU-MRXNPFEDSA-N 1 0 285.391 3.079 50 0 CGAARO CC[C@H]1C[N@H+](Cc2cccc(N(C)C)c2)CCS1 ZINC000076072756 345532163 /nfs/dbraw/zinc/53/21/63/345532163.db2.gz UQZSEQOUFUDERE-HNNXBMFYSA-N 1 0 264.438 3.080 50 0 CGAARO CC(C)Oc1cc(Br)ccc1[C@@H](C)[NH3+] ZINC000132046161 346069212 /nfs/dbraw/zinc/06/92/12/346069212.db2.gz DSXPLGRXWGQXCN-MRVPVSSYSA-N 1 0 258.159 3.256 50 0 CGAARO CC1(C)[C@H](OC[C@H](O)C[NH2+]C2CCCC2)[C@]2(C)CC[C@H]1C2 ZINC000135964959 346089497 /nfs/dbraw/zinc/08/94/97/346089497.db2.gz HHPXYCVBIPXNRJ-JXSMBQFASA-N 1 0 295.467 3.111 50 0 CGAARO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1cccs1 ZINC000155915541 346156018 /nfs/dbraw/zinc/15/60/18/346156018.db2.gz GQJMFMFZZDLTCB-LBPRGKRZSA-N 1 0 281.421 3.127 50 0 CGAARO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1cccs1 ZINC000155915653 346156318 /nfs/dbraw/zinc/15/63/18/346156318.db2.gz GQJMFMFZZDLTCB-GFCCVEGCSA-N 1 0 281.421 3.127 50 0 CGAARO CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC000170599722 346194385 /nfs/dbraw/zinc/19/43/85/346194385.db2.gz HWIZVTDPTLYHPI-KGLIPLIRSA-N 1 0 284.407 3.103 50 0 CGAARO C[NH2+]Cc1ccc(CNC(=O)c2coc3ccccc23)cc1 ZINC000195543008 346273227 /nfs/dbraw/zinc/27/32/27/346273227.db2.gz PWTDIZKORDGVQK-UHFFFAOYSA-N 1 0 294.354 3.082 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584889717 346722186 /nfs/dbraw/zinc/72/21/86/346722186.db2.gz FUXRPDQOWHUJEV-OAHLLOKOSA-N 1 0 283.419 3.421 50 0 CGAARO Cc1c(C[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)cnn1C ZINC000584899991 346723055 /nfs/dbraw/zinc/72/30/55/346723055.db2.gz RNBUOVGTIQFNKU-ZDUSSCGKSA-N 1 0 296.418 3.321 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000585134945 346724693 /nfs/dbraw/zinc/72/46/93/346724693.db2.gz PYIHIHDTMYXQRA-VIFPVBQESA-N 1 0 276.361 3.031 50 0 CGAARO CC(C)C(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000089775637 179864641 /nfs/dbraw/zinc/86/46/41/179864641.db2.gz ZOQXHHAJQGGIDX-UHFFFAOYSA-N 1 0 294.483 3.439 50 0 CGAARO c1ccc(CO[C@H]2CCCC[C@H]2[NH2+]C2CCOCC2)cc1 ZINC000090602999 180011293 /nfs/dbraw/zinc/01/12/93/180011293.db2.gz KFMLOWQHEPPZAR-MSOLQXFVSA-N 1 0 289.419 3.283 50 0 CGAARO Brc1ccc(CCC[NH+]2CCCC2)cc1 ZINC000091302013 180129341 /nfs/dbraw/zinc/12/93/41/180129341.db2.gz DCXLRBFSAZIKOH-UHFFFAOYSA-N 1 0 268.198 3.478 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000105425960 186057015 /nfs/dbraw/zinc/05/70/15/186057015.db2.gz AMSJWIKUJBVXHM-UHFFFAOYSA-N 1 0 299.418 3.040 50 0 CGAARO OCCC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091860506 180275431 /nfs/dbraw/zinc/27/54/31/180275431.db2.gz JKHBIXLFHHREGG-UHFFFAOYSA-N 1 0 295.426 3.451 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000092470759 180392858 /nfs/dbraw/zinc/39/28/58/180392858.db2.gz GSNHQDNGQVONHH-CYBMUJFWSA-N 1 0 289.350 3.351 50 0 CGAARO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCCCC2)CCS1 ZINC000106920745 186151506 /nfs/dbraw/zinc/15/15/06/186151506.db2.gz TYUOTQBZHAMQAJ-UKRRQHHQSA-N 1 0 298.496 3.041 50 0 CGAARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2)C1 ZINC000110641678 186308284 /nfs/dbraw/zinc/30/82/84/186308284.db2.gz ZKWKUCCKOHWCBC-NWDGAFQWSA-N 1 0 270.829 3.451 50 0 CGAARO Fc1ccc(C2(C[NH2+]Cc3ncc[nH]3)CC2)c(Cl)c1 ZINC000154252841 188131302 /nfs/dbraw/zinc/13/13/02/188131302.db2.gz FDTVOCMESXSRBG-UHFFFAOYSA-N 1 0 279.746 3.024 50 0 CGAARO c1ccc(N[C@H]2CCC[N@@H+](CCc3ccncc3)C2)cc1 ZINC000154894249 188168129 /nfs/dbraw/zinc/16/81/29/188168129.db2.gz WVIIHAQZPVDNQK-SFHVURJKSA-N 1 0 281.403 3.201 50 0 CGAARO Fc1cccnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000176835321 189011002 /nfs/dbraw/zinc/01/10/02/189011002.db2.gz FQYDKIRRWMENLD-UHFFFAOYSA-N 1 0 299.393 3.340 50 0 CGAARO C[NH+](C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000002043 368269830 /nfs/dbraw/zinc/26/98/30/368269830.db2.gz OJFSXZCBGQGRNV-MRXNPFEDSA-N 1 0 290.794 3.403 50 0 fda CGAARO CC[C@@]1(C)C[C@](CC[NH3+])(c2ccccc2OC)CCO1 ZINC000000171725 368308433 /nfs/dbraw/zinc/30/84/33/368308433.db2.gz PIZPJDAJWPLXFJ-DLBZAZTESA-N 1 0 277.408 3.261 50 0 biogenic CGAARO COc1ccc(C[NH2+]Cc2cc(OC)ccc2OC)cc1 ZINC000000172173 368308542 /nfs/dbraw/zinc/30/85/42/368308542.db2.gz DSTLUOCIHATZDD-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000255010 368325439 /nfs/dbraw/zinc/32/54/39/368325439.db2.gz ZVZSXJQBIPCAHD-TXEJJXNPSA-N 1 0 296.361 3.271 50 0 CGAARO COc1ccc2c(c1)c(C)cc[n+]2Cc1ccccc1 ZINC000000285911 368333411 /nfs/dbraw/zinc/33/34/11/368333411.db2.gz BZHNJIYGLDGGNL-UHFFFAOYSA-N 1 0 264.348 3.493 50 0 CGAARO C[C@H](C[NH+]1CCC(C)CC1)OC(=O)c1cccs1 ZINC000000808187 368396011 /nfs/dbraw/zinc/39/60/11/368396011.db2.gz TXRDBDWBHMVYCY-GFCCVEGCSA-N 1 0 267.394 3.025 50 0 CGAARO [NH3+][C@H](CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000002000133 368443144 /nfs/dbraw/zinc/44/31/44/368443144.db2.gz AOMKRXHPZSCKRA-OAHLLOKOSA-N 1 0 269.344 3.090 50 0 CGAARO CC(=O)c1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000002009074 368443701 /nfs/dbraw/zinc/44/37/01/368443701.db2.gz UDOGRGCITVUWOQ-AWEZNQCLSA-N 1 0 275.392 3.390 50 0 CGAARO Cc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002482182 368456221 /nfs/dbraw/zinc/45/62/21/368456221.db2.gz SWFCZJWHIKUDAX-UHFFFAOYSA-N 1 0 269.344 3.056 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002451118 368456274 /nfs/dbraw/zinc/45/62/74/368456274.db2.gz QKUXWVGNBFJJTP-AWEZNQCLSA-N 1 0 279.424 3.112 50 0 CGAARO Cc1cc(OCCCCC[NH2+]CCO)cc(C)c1Cl ZINC000002901953 368485540 /nfs/dbraw/zinc/48/55/40/368485540.db2.gz CPCLOFLASZPHDE-UHFFFAOYSA-N 1 0 285.815 3.088 50 0 CGAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000004026862 368527039 /nfs/dbraw/zinc/52/70/39/368527039.db2.gz KUYBDOWEEWZIMG-KKUMJFAQSA-N 1 0 265.784 3.296 50 0 biogenic CGAARO Cc1c([C@@H](C)[NH2+]C2CCC2)cnn1-c1ccccc1 ZINC000011817267 368597422 /nfs/dbraw/zinc/59/74/22/368597422.db2.gz HOZCHFGFGRULQL-GFCCVEGCSA-N 1 0 255.365 3.384 50 0 CGAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)CN1CCc2ccccc21 ZINC000011805277 368595958 /nfs/dbraw/zinc/59/59/58/368595958.db2.gz MOHKXPBCSUDNLK-INIZCTEOSA-N 1 0 291.398 3.100 50 0 CGAARO CSCCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012195016 368605081 /nfs/dbraw/zinc/60/50/81/368605081.db2.gz BKHQYQKPAZNUKQ-AWEZNQCLSA-N 1 0 298.496 3.043 50 0 CGAARO c1cc(COc2ccc(C[NH2+]C3CC3)cc2)cc2c1OCO2 ZINC000015356909 368694114 /nfs/dbraw/zinc/69/41/14/368694114.db2.gz JFOJFPUORSWLSD-UHFFFAOYSA-N 1 0 297.354 3.246 50 0 CGAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000016353855 368711506 /nfs/dbraw/zinc/71/15/06/368711506.db2.gz KTSANESHJMQZPS-CQSZACIVSA-N 1 0 276.424 3.038 50 0 CGAARO CCCC[n+]1cc(-c2ccc(C)cc2)n2c1CCC2 ZINC000016955704 368723985 /nfs/dbraw/zinc/72/39/85/368723985.db2.gz JDPXRDFVWNFOST-UHFFFAOYSA-N 1 0 255.385 3.497 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000016994380 368725157 /nfs/dbraw/zinc/72/51/57/368725157.db2.gz VWTPLFUVVFAARL-NVXWUHKLSA-N 1 0 291.435 3.226 50 0 CGAARO Brc1c(O[C@@H]2CC[NH2+]C2)ccc2ccccc21 ZINC000014632259 368683897 /nfs/dbraw/zinc/68/38/97/368683897.db2.gz BRAMEEWPRNLUAX-LLVKDONJSA-N 1 0 292.176 3.343 50 0 CGAARO c1ccc(Oc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632223 368684327 /nfs/dbraw/zinc/68/43/27/368684327.db2.gz KFLZZGCJBPDOII-MRXNPFEDSA-N 1 0 255.317 3.220 50 0 CGAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000014967203 368687384 /nfs/dbraw/zinc/68/73/84/368687384.db2.gz PHYMOCXBGILPDH-AWEZNQCLSA-N 1 0 273.376 3.142 50 0 CGAARO Cc1ccc(C)c(OCCCC[NH+]2CCOCC2)c1C ZINC000019770613 368764572 /nfs/dbraw/zinc/76/45/72/368764572.db2.gz RICHJLYMJYYAIY-UHFFFAOYSA-N 1 0 277.408 3.103 50 0 CGAARO C1=CC[C@H](C[NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC000019790119 368766899 /nfs/dbraw/zinc/76/68/99/368766899.db2.gz HTFRZBDEHDGYDN-INIZCTEOSA-N 1 0 262.441 3.293 50 0 CGAARO COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019872465 368773773 /nfs/dbraw/zinc/77/37/73/368773773.db2.gz OJKFIMNBRYKVMV-OAHLLOKOSA-N 1 0 291.778 3.172 50 0 CGAARO c1ccc(CCC[C@@H]2C[N@@H+](C3CCC3)CCO2)cc1 ZINC000019299910 368747760 /nfs/dbraw/zinc/74/77/60/368747760.db2.gz AZEVCRCQPVFSTR-QGZVFWFLSA-N 1 0 259.393 3.263 50 0 CGAARO C1CCC2(CC1)NCC[NH+]=C2NC1CCCCCC1 ZINC000022938547 368814426 /nfs/dbraw/zinc/81/44/26/368814426.db2.gz DFNBJWLXUNUTHT-UHFFFAOYSA-N 1 0 263.429 3.003 50 0 biogenic CGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1cccs1 ZINC000023127966 368816697 /nfs/dbraw/zinc/81/66/97/368816697.db2.gz PVHQAJZXLJGQQX-UHFFFAOYSA-N 1 0 292.448 3.133 50 0 CGAARO Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)o1 ZINC000023257837 368818044 /nfs/dbraw/zinc/81/80/44/368818044.db2.gz JPAIHELYEWSNCM-HNNXBMFYSA-N 1 0 274.364 3.108 50 0 CGAARO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1 ZINC000023281184 368820197 /nfs/dbraw/zinc/82/01/97/368820197.db2.gz KVEUNZRHYDQFFJ-UHFFFAOYSA-N 1 0 255.361 3.370 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000023283534 368820481 /nfs/dbraw/zinc/82/04/81/368820481.db2.gz RYSCDVYACDVDPI-ZDUSSCGKSA-N 1 0 259.349 3.399 50 0 CGAARO c1ccc2c(c1)cccc2C[NH2+][C@H]1CN2CCC1CC2 ZINC000019945978 368787615 /nfs/dbraw/zinc/78/76/15/368787615.db2.gz DIIHGPYNGXGAAV-SFHVURJKSA-N 1 0 266.388 3.024 50 0 CGAARO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@@H]1CCc2ccccc21 ZINC000029483587 368897249 /nfs/dbraw/zinc/89/72/49/368897249.db2.gz VHZWBUWTUPJULM-QGZVFWFLSA-N 1 0 298.361 3.384 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH2+]C2CCCCCC2)c1 ZINC000032123155 368926637 /nfs/dbraw/zinc/92/66/37/368926637.db2.gz IAUFPKYMAJZIBT-MRXNPFEDSA-N 1 0 277.408 3.047 50 0 CGAARO O=C(CC[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000032870683 368949247 /nfs/dbraw/zinc/94/92/47/368949247.db2.gz LGURCYMHMVBQRN-UHFFFAOYSA-N 1 0 268.360 3.264 50 0 CGAARO [NH3+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000033487080 368964791 /nfs/dbraw/zinc/96/47/91/368964791.db2.gz VEGUIFKLZDKBJV-UHFFFAOYSA-N 1 0 254.171 3.220 50 0 CGAARO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccccc3F)C2)cc1 ZINC000035834876 369005331 /nfs/dbraw/zinc/00/53/31/369005331.db2.gz DZNVYUUHYWVVLD-MRXNPFEDSA-N 1 0 298.361 3.417 50 0 CGAARO c1ccc(COc2cccc3c2CC[C@]2(CC[NH2+]C2)O3)cc1 ZINC000036142073 369011690 /nfs/dbraw/zinc/01/16/90/369011690.db2.gz ZZLYCIYHHLTRAT-LJQANCHMSA-N 1 0 295.382 3.323 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1C ZINC000036398774 369021932 /nfs/dbraw/zinc/02/19/32/369021932.db2.gz XDHQBIZRSSEWNK-BBWFWOEESA-N 1 0 291.435 3.306 50 0 CGAARO Cc1ccsc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648349 369094495 /nfs/dbraw/zinc/09/44/95/369094495.db2.gz BKYLYIXDELBSQO-LLVKDONJSA-N 1 0 292.370 3.030 50 0 CGAARO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000037975599 369128046 /nfs/dbraw/zinc/12/80/46/369128046.db2.gz ZXUIETDAYMWIIP-VXGBXAGGSA-N 1 0 280.799 3.002 50 0 CGAARO [NH3+]C[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000038526553 369146649 /nfs/dbraw/zinc/14/66/49/369146649.db2.gz ZWIQYOYNKDZSIM-AWEZNQCLSA-N 1 0 252.789 3.216 50 0 CGAARO c1cnc2c(c1)cccc2OCC[C@H]1CCCC[NH2+]1 ZINC000042773407 369232384 /nfs/dbraw/zinc/23/23/84/369232384.db2.gz BYGLIGZZDARNQD-CQSZACIVSA-N 1 0 256.349 3.146 50 0 CGAARO Brc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042772893 369230807 /nfs/dbraw/zinc/23/08/07/369230807.db2.gz VJCNLPWQZZOECJ-UHFFFAOYSA-N 1 0 284.197 3.218 50 0 CGAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000047416138 369315012 /nfs/dbraw/zinc/31/50/12/369315012.db2.gz XCOJODUFUVCFFS-CHWSQXEVSA-N 1 0 294.464 3.154 50 0 CGAARO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccn(C)c(=O)c1 ZINC000051857907 369456697 /nfs/dbraw/zinc/45/66/97/369456697.db2.gz HPCDPJSWKHDUKA-HNNXBMFYSA-N 1 0 296.414 3.186 50 0 CGAARO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2)s1 ZINC000052132554 369466304 /nfs/dbraw/zinc/46/63/04/369466304.db2.gz FHAZAUZVBLFBHY-GFCCVEGCSA-N 1 0 288.416 3.348 50 0 CGAARO 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C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CC=CCC1 ZINC000097744720 370252133 /nfs/dbraw/zinc/25/21/33/370252133.db2.gz NADWVSADDRRVBD-AWEZNQCLSA-N 1 0 255.365 3.122 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793887 370451862 /nfs/dbraw/zinc/45/18/62/370451862.db2.gz CQXQAIDOZIYLOU-PWSUYJOCSA-N 1 0 271.307 3.118 50 0 CGAARO CC[NH+]1CCC(N(C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000012973136 541852495 /nfs/dbraw/zinc/85/24/95/541852495.db2.gz KPFJGYPCEJSXLH-UHFFFAOYSA-N 1 0 295.814 3.288 50 0 CGAARO CC(C)C[N@H+](Cc1cncnc1)[C@@H]1CCCc2cccnc21 ZINC000155223860 371914710 /nfs/dbraw/zinc/91/47/10/371914710.db2.gz VMGBCIJHHWDBGE-QGZVFWFLSA-N 1 0 296.418 3.407 50 0 CGAARO CCc1n[nH]c(C)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426726902 372169177 /nfs/dbraw/zinc/16/91/77/372169177.db2.gz OKULVLSLTVCGTN-CQSZACIVSA-N 1 0 299.418 3.341 50 0 CGAARO C[C@H](CN(C)CC[C@H]1CCCC[N@@H+]1C)c1nccs1 ZINC000344371249 217171911 /nfs/dbraw/zinc/17/19/11/217171911.db2.gz FLWZGJUBMGLTBT-ZIAGYGMSSA-N 1 0 281.469 3.053 50 0 CGAARO C[C@H](CC[NH2+][C@@H](C)c1cc2ccccc2o1)[S@](C)=O ZINC000170062281 372634804 /nfs/dbraw/zinc/63/48/04/372634804.db2.gz HYDCJDRJMBQMNG-UFYHVXEKSA-N 1 0 279.405 3.241 50 0 CGAARO C[N@H+](CCc1ccccn1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244852962 189913357 /nfs/dbraw/zinc/91/33/57/189913357.db2.gz VCSHSPWDGBIPOC-KRWDZBQOSA-N 1 0 295.430 3.082 50 0 CGAARO c1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000345030901 217390566 /nfs/dbraw/zinc/39/05/66/217390566.db2.gz TWCTYIGWYUIACW-OAHLLOKOSA-N 1 0 269.344 3.006 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(N)c2cc(C)ccc2n1 ZINC000299762071 373609800 /nfs/dbraw/zinc/60/98/00/373609800.db2.gz VLCNXJPDEKQEKE-CYBMUJFWSA-N 1 0 284.407 3.285 50 0 CGAARO COc1cncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000289490766 197373728 /nfs/dbraw/zinc/37/37/28/197373728.db2.gz SNXWSPNKWQVEHC-GFCCVEGCSA-N 1 0 288.313 3.253 50 0 CGAARO CC[N@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000077242804 541912354 /nfs/dbraw/zinc/91/23/54/541912354.db2.gz SIIMWSGGAAKXRS-UHFFFAOYSA-N 1 0 281.352 3.279 50 0 CGAARO c1csc(-c2nnc(C[NH+]3C[C@@H]4CCC[C@H]4C3)o2)c1 ZINC000089800094 541954440 /nfs/dbraw/zinc/95/44/40/541954440.db2.gz APZBGXCLHMJWFX-QWRGUYRKSA-N 1 0 275.377 3.030 50 0 CGAARO Cc1cncc([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000184356919 374517611 /nfs/dbraw/zinc/51/76/11/374517611.db2.gz PDSUPHCZKNHNNL-CQSZACIVSA-N 1 0 282.387 3.218 50 0 CGAARO COCCOC1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000191070109 375571173 /nfs/dbraw/zinc/57/11/73/375571173.db2.gz FYHREKNPPGNJQG-DOTOQJQBSA-N 1 0 281.440 3.106 50 0 CGAARO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C2 ZINC000192437985 375749250 /nfs/dbraw/zinc/74/92/50/375749250.db2.gz RSFDQLCZLKBDFR-XJKSGUPXSA-N 1 0 282.387 3.298 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000536649115 376109867 /nfs/dbraw/zinc/10/98/67/376109867.db2.gz BKJODGWJLAIIOT-GFCCVEGCSA-N 1 0 275.421 3.413 50 0 CGAARO OCCC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000195546056 376112284 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/nfs/dbraw/zinc/22/37/76/376223776.db2.gz OYLIHUPAWXZBTM-TZMCWYRMSA-N 1 0 294.395 3.330 50 0 CGAARO CCc1nn(C)cc1C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000225457120 376310984 /nfs/dbraw/zinc/31/09/84/376310984.db2.gz VGLBZSFQANOPEU-UHFFFAOYSA-N 1 0 294.402 3.129 50 0 CGAARO CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000225468384 376313219 /nfs/dbraw/zinc/31/32/19/376313219.db2.gz MQKZMEYFRFKSJV-AWEZNQCLSA-N 1 0 293.794 3.258 50 0 CGAARO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000235718483 376648894 /nfs/dbraw/zinc/64/88/94/376648894.db2.gz LAJDLJYEBXLCSU-GXTWGEPZSA-N 1 0 272.392 3.144 50 0 CGAARO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000240321573 376773729 /nfs/dbraw/zinc/77/37/29/376773729.db2.gz FALNEBSWWCHARB-CDMJZVDBSA-N 1 0 296.361 3.318 50 0 CGAARO COc1ccc(C)cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000241409067 376779308 /nfs/dbraw/zinc/77/93/08/376779308.db2.gz NEIOANRKRSDRSP-AWEZNQCLSA-N 1 0 290.407 3.207 50 0 CGAARO CN(CCSc1ccccc1)Cc1nnc(C2CC2)o1 ZINC000244795154 376796047 /nfs/dbraw/zinc/79/60/47/376796047.db2.gz RAOYKUCXDUPQDN-UHFFFAOYSA-N 1 0 289.404 3.171 50 0 CGAARO Cc1nc([C@@H](C)N(C)CCn2cc(Cl)cn2)c(C)s1 ZINC000244795651 376796464 /nfs/dbraw/zinc/79/64/64/376796464.db2.gz RKVZNOZCBRAZHG-SECBINFHSA-N 1 0 298.843 3.303 50 0 CGAARO c1cc2cc(C[N@@H+](C[C@H]3CCOC3)C3CC3)ccc2[nH]1 ZINC000244882605 376798262 /nfs/dbraw/zinc/79/82/62/376798262.db2.gz XUWJQBBQAVVDEB-CQSZACIVSA-N 1 0 270.376 3.169 50 0 CGAARO CC(C)c1cc(C[N@H+](C)CCC[C@H]2CCCO2)on1 ZINC000244673653 376793975 /nfs/dbraw/zinc/79/39/75/376793975.db2.gz HTHUBFURXSSOTN-ZDUSSCGKSA-N 1 0 266.385 3.189 50 0 CGAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccs1 ZINC000248690517 377380734 /nfs/dbraw/zinc/38/07/34/377380734.db2.gz ASSIVOISBUEJCK-UNJBNNCHSA-N 1 0 263.406 3.356 50 0 CGAARO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000248705096 377385327 /nfs/dbraw/zinc/38/53/27/377385327.db2.gz HICNCZLMQPSFKT-MXYBEHONSA-N 1 0 261.365 3.196 50 0 CGAARO COc1ccccc1C1CC[NH+](CCCn2cccn2)CC1 ZINC000252489998 377631069 /nfs/dbraw/zinc/63/10/69/377631069.db2.gz KHAMDEIWTCNJHS-UHFFFAOYSA-N 1 0 299.418 3.161 50 0 CGAARO CCN1CCC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494061 377632641 /nfs/dbraw/zinc/63/26/41/377632641.db2.gz NKALHNAMXKCQNS-OAHLLOKOSA-N 1 0 250.430 3.029 50 0 CGAARO CC[C@H](C[N@@H+]1CCN(C(C)=O)CC1(C)C)c1ccccc1 ZINC000253419065 377691154 /nfs/dbraw/zinc/69/11/54/377691154.db2.gz HRYICMXIYYPAIY-MRXNPFEDSA-N 1 0 288.435 3.123 50 0 CGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000253537099 377697527 /nfs/dbraw/zinc/69/75/27/377697527.db2.gz XMZFWSOZERFXKY-CQSZACIVSA-N 1 0 299.418 3.170 50 0 CGAARO Cc1noc([C@@H]2CC[C@H](C[NH2+]CC(C(C)C)C(C)C)O2)n1 ZINC000408516299 380013791 /nfs/dbraw/zinc/01/37/91/380013791.db2.gz VAKWNDOOQZWWJF-HIFRSBDPSA-N 1 0 295.427 3.116 50 0 CGAARO CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103241 260035530 /nfs/dbraw/zinc/03/55/30/260035530.db2.gz UWHOCPHFSGDGNK-MRXNPFEDSA-N 1 0 273.376 3.443 50 0 CGAARO COc1ccc(C[NH2+]CC[C@H]2CCOC(C)(C)C2)cc1 ZINC000001787444 533663328 /nfs/dbraw/zinc/66/33/28/533663328.db2.gz LGVHUYKGQMFWRQ-AWEZNQCLSA-N 1 0 277.408 3.380 50 0 biogenic CGAARO CCOC(=O)c1n[nH]cc1C[N@H+]([C@H](C)CC)C1CCCC1 ZINC000055041996 392095621 /nfs/dbraw/zinc/09/56/21/392095621.db2.gz SETKBYYAZHHKFI-GFCCVEGCSA-N 1 0 293.411 3.130 50 0 CGAARO CC[C@@H]1CCC[C@@H](C[N@H+](C)C2CCS(=O)CC2)C1 ZINC000097108479 392260649 /nfs/dbraw/zinc/26/06/49/392260649.db2.gz JPSBEXWPBVBWBQ-VBCSKYIJSA-N 1 0 271.470 3.046 50 0 CGAARO Cc1ccc([C@](C)(O)C[NH2+][C@H]2CCCc3occc32)o1 ZINC000192900265 392864390 /nfs/dbraw/zinc/86/43/90/392864390.db2.gz UUAQQNPGXPIJDT-XJKSGUPXSA-N 1 0 275.348 3.056 50 0 CGAARO Cc1c2cccc(C)c2[nH]c1CN1CCC[N@@H+](C)C[C@@H]1C ZINC000216494841 392990679 /nfs/dbraw/zinc/99/06/79/392990679.db2.gz FRUMEPCNRJSWLN-AWEZNQCLSA-N 1 0 285.435 3.311 50 0 CGAARO COc1cc(C[N@H+](C)CCc2scnc2C)ccc1F ZINC000216523522 392991449 /nfs/dbraw/zinc/99/14/49/392991449.db2.gz UKEKWKSVLWHWER-UHFFFAOYSA-N 1 0 294.395 3.274 50 0 CGAARO c1ccc2c(c1)C[C@H](Cc1ccc3c(c1)C[NH2+]CC3)CO2 ZINC000091468609 285516085 /nfs/dbraw/zinc/51/60/85/285516085.db2.gz IAECSLZIZKWMHG-HNNXBMFYSA-N 1 0 279.383 3.126 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]2C2CCSCC2)on1 ZINC000252507845 393124744 /nfs/dbraw/zinc/12/47/44/393124744.db2.gz WUSPEWKZOAGXOY-GFCCVEGCSA-N 1 0 252.383 3.016 50 0 CGAARO CC(C)[N@@H+]1CCCC[C@H]1CCNC(=O)CCC(F)(F)F ZINC000670438888 543154550 /nfs/dbraw/zinc/15/45/50/543154550.db2.gz SOPIDBYCCFYSAP-LBPRGKRZSA-N 1 0 294.361 3.098 50 0 CGAARO C[N@@H+]1CCCCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000670437725 543154612 /nfs/dbraw/zinc/15/46/12/543154612.db2.gz RHHXSNSYEBFKJC-CYBMUJFWSA-N 1 0 256.353 3.019 50 0 CGAARO Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000670458556 543156779 /nfs/dbraw/zinc/15/67/79/543156779.db2.gz QEZFZOWZANITFM-AWEZNQCLSA-N 1 0 287.325 3.361 50 0 CGAARO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC1(CO)CCC1 ZINC000670461269 543157012 /nfs/dbraw/zinc/15/70/12/543157012.db2.gz BAUDTEMTHDJXLZ-UHFFFAOYSA-N 1 0 287.325 3.300 50 0 CGAARO COc1ccc2[nH+]c(C)cc(N3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000101468457 397644954 /nfs/dbraw/zinc/64/49/54/397644954.db2.gz LMJXRJNCKLMDRB-BETUJISGSA-N 1 0 286.375 3.165 50 0 CGAARO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000002120089 169775527 /nfs/dbraw/zinc/77/55/27/169775527.db2.gz XHNPNIGLSMAPQO-UHFFFAOYSA-N 1 0 271.360 3.396 50 0 biogenic CGAARO CC(C)[NH2+]CCOCCOc1ccc(C(C)C)cc1 ZINC000002975080 169846588 /nfs/dbraw/zinc/84/65/88/169846588.db2.gz AYQIJELFQBKLER-UHFFFAOYSA-N 1 0 265.397 3.203 50 0 CGAARO Cc1ccc(C)c(OCC[NH2+]C[C@H]2CCCO2)c1Cl ZINC000004842251 170028337 /nfs/dbraw/zinc/02/83/37/170028337.db2.gz DTHGFDJLDNHOMZ-CYBMUJFWSA-N 1 0 283.799 3.104 50 0 CGAARO C[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000004850683 170030139 /nfs/dbraw/zinc/03/01/39/170030139.db2.gz MLZYAGDALNIAQK-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO c1cc(OCCOCC[NH+]2CCCCC2)cc2c1CCC2 ZINC000004868963 170034093 /nfs/dbraw/zinc/03/40/93/170034093.db2.gz HTXROQLEQGMKDA-UHFFFAOYSA-N 1 0 289.419 3.057 50 0 CGAARO Clc1ccc(Cl)c(OCC[NH+]2CCCC2)c1 ZINC000005024235 170056972 /nfs/dbraw/zinc/05/69/72/170056972.db2.gz WFAJSRLAIMTPDY-UHFFFAOYSA-N 1 0 260.164 3.468 50 0 CGAARO CCOc1c(Cl)cc(C[NH2+]CC(C)C)cc1OC ZINC000005064207 170062859 /nfs/dbraw/zinc/06/28/59/170062859.db2.gz DBWYIFHQMNDFPV-UHFFFAOYSA-N 1 0 271.788 3.493 50 0 CGAARO Cc1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@@H](C)C3)c2c1 ZINC000005478265 170103633 /nfs/dbraw/zinc/10/36/33/170103633.db2.gz AWHFPIIUURGLSB-CYBMUJFWSA-N 1 0 270.376 3.391 50 0 CGAARO CC[C@H](C)[NH2+]Cc1cc(Br)ccc1OC ZINC000005907913 170153796 /nfs/dbraw/zinc/15/37/96/170153796.db2.gz DGWKDOTVDYDRSH-VIFPVBQESA-N 1 0 272.186 3.346 50 0 CGAARO C[NH+](CCOc1ccccc1)CCOc1ccccc1 ZINC000006079069 170174765 /nfs/dbraw/zinc/17/47/65/170174765.db2.gz DZBVWSMYZGNMCK-UHFFFAOYSA-N 1 0 271.360 3.076 50 0 CGAARO COc1cc(C)ccc1OCCC[NH2+]C1CCCC1 ZINC000008750397 170354376 /nfs/dbraw/zinc/35/43/76/170354376.db2.gz XFPGSYZYPYFKGF-UHFFFAOYSA-N 1 0 263.381 3.305 50 0 CGAARO Fc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000009513728 170380085 /nfs/dbraw/zinc/38/00/85/170380085.db2.gz RAVWGPCATNEYIP-CHWSQXEVSA-N 1 0 294.395 3.208 50 0 CGAARO [NH3+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000009646650 170383507 /nfs/dbraw/zinc/38/35/07/170383507.db2.gz XAJMJYPAJNLKIS-UHFFFAOYSA-N 1 0 252.111 3.168 50 0 CGAARO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000010017788 170395246 /nfs/dbraw/zinc/39/52/46/170395246.db2.gz PGTYURBANDVOPC-KRWDZBQOSA-N 1 0 282.387 3.028 50 0 CGAARO COc1ccccc1OCCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000016527121 170701298 /nfs/dbraw/zinc/70/12/98/170701298.db2.gz UGXGDJLLVSDCMC-CABCVRRESA-N 1 0 277.408 3.442 50 0 CGAARO CC1=C(CC[NH+]2CCN(C)CC2)C(C)(C)CCC1 ZINC000019608982 170830685 /nfs/dbraw/zinc/83/06/85/170830685.db2.gz YHIDSGVAXWMPRJ-UHFFFAOYSA-N 1 0 250.430 3.151 50 0 CGAARO Cc1cccc(C)c1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167192 171040780 /nfs/dbraw/zinc/04/07/80/171040780.db2.gz SDNGLFJQUUNUGS-HZPDHXFCSA-N 1 0 277.408 3.182 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccco2)cc1Cl ZINC000020928063 171280561 /nfs/dbraw/zinc/28/05/61/171280561.db2.gz CIVKQIQBPQXKTF-UHFFFAOYSA-N 1 0 251.713 3.231 50 0 CGAARO CCCOc1ccc(C[NH2+][C@H](C)CC)cc1OC ZINC000020931060 171280925 /nfs/dbraw/zinc/28/09/25/171280925.db2.gz NCFJHEPAUMXSEO-GFCCVEGCSA-N 1 0 251.370 3.372 50 0 CGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000021670687 171319053 /nfs/dbraw/zinc/31/90/53/171319053.db2.gz PWMGLQXNLNSDGX-STQMWFEESA-N 1 0 294.826 3.077 50 0 CGAARO c1ccc([C@H]2NCC[NH+]=C2NC2CCCCCC2)cc1 ZINC000021883568 171335956 /nfs/dbraw/zinc/33/59/56/171335956.db2.gz GXNDJWXUTYLMRI-MRXNPFEDSA-N 1 0 271.408 3.042 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]CCN1CCCCC1 ZINC000022045037 171350803 /nfs/dbraw/zinc/35/08/03/171350803.db2.gz HCARPNGFUIAUHZ-INIZCTEOSA-N 1 0 260.425 3.083 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000027579790 171523365 /nfs/dbraw/zinc/52/33/65/171523365.db2.gz NROYLFLWMSYSMA-UHFFFAOYSA-N 1 0 294.826 3.334 50 0 in-vitro CGAARO CC1(C)CC(NC(=O)CCc2ccsc2)CC(C)(C)[NH2+]1 ZINC000029787702 171609307 /nfs/dbraw/zinc/60/93/07/171609307.db2.gz FCTBFTQBKMAVCS-UHFFFAOYSA-N 1 0 294.464 3.106 50 0 CGAARO Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1cccs1 ZINC000035159889 172017837 /nfs/dbraw/zinc/01/78/37/172017837.db2.gz GHHMNXZUPHARLI-UHFFFAOYSA-N 1 0 294.807 3.438 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2F)o1 ZINC000035255547 172085415 /nfs/dbraw/zinc/08/54/15/172085415.db2.gz XNYGYLVWWBQBNC-UHFFFAOYSA-N 1 0 285.322 3.407 50 0 CGAARO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035553098 172260361 /nfs/dbraw/zinc/26/03/61/172260361.db2.gz DCNHBMPRIJUYSR-GFCCVEGCSA-N 1 0 252.770 3.495 50 0 CGAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075792 174086388 /nfs/dbraw/zinc/08/63/88/174086388.db2.gz ZTGHSBWEUOHIDJ-LBPRGKRZSA-N 1 0 294.826 3.249 50 0 CGAARO C[C@H]1CCC[N@H+](CCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000040145629 174195013 /nfs/dbraw/zinc/19/50/13/174195013.db2.gz SFZZFUJWBJHBSB-LBPRGKRZSA-N 1 0 295.814 3.193 50 0 CGAARO CCN(CC)c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042771280 174871115 /nfs/dbraw/zinc/87/11/15/174871115.db2.gz IVCDJSHWRARVMT-OAHLLOKOSA-N 1 0 276.424 3.301 50 0 CGAARO C[C@@H]1CCCC[C@]12NCC[NH+]=C2NC1CCCCCC1 ZINC000046153228 175393474 /nfs/dbraw/zinc/39/34/74/175393474.db2.gz LNHWJMWIWYDAME-PBHICJAKSA-N 1 0 277.456 3.249 50 0 biogenic CGAARO Cc1ccccc1CNC1=[NH+]CCN[C@@]12CCC[C@H](C)C2 ZINC000046153146 175393629 /nfs/dbraw/zinc/39/36/29/175393629.db2.gz MUFPWKRBROLHAW-KBXCAEBGSA-N 1 0 285.435 3.035 50 0 biogenic CGAARO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc2ccccc21 ZINC000069816639 175855715 /nfs/dbraw/zinc/85/57/15/175855715.db2.gz DZEKVCNRIFSBGC-HIFRSBDPSA-N 1 0 292.386 3.097 50 0 CGAARO C/C=C1\C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000071404345 176155531 /nfs/dbraw/zinc/15/55/31/176155531.db2.gz TWRIMOCPODQOBZ-GGWMKZFJSA-N 1 0 294.398 3.309 50 0 CGAARO Fc1ccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000071759147 176260896 /nfs/dbraw/zinc/26/08/96/176260896.db2.gz VHHOHJUDGWIMJG-HNNXBMFYSA-N 1 0 287.382 3.394 50 0 CGAARO CCN(Cc1nc(C2CC2)no1)Cc1cccc(C)c1 ZINC000048056207 416445181 /nfs/dbraw/zinc/44/51/81/416445181.db2.gz RRBMFVMBILXYIZ-UHFFFAOYSA-N 1 0 271.364 3.278 50 0 CGAARO FCC1(CF)CC([NH2+]C[C@@H](c2ccco2)N2CCCC2)C1 ZINC000657816071 419366685 /nfs/dbraw/zinc/36/66/85/419366685.db2.gz HSGNCLJWTNCPAQ-AWEZNQCLSA-N 1 0 298.377 3.094 50 0 CGAARO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)C(C)(C)C(F)F ZINC000657993853 419486546 /nfs/dbraw/zinc/48/65/46/419486546.db2.gz LYFINCQUYMDSDW-NSHDSACASA-N 1 0 294.349 3.037 50 0 CGAARO C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000013669932 260074960 /nfs/dbraw/zinc/07/49/60/260074960.db2.gz APPLKGQVARMUQH-OAHLLOKOSA-N 1 0 286.419 3.155 50 0 CGAARO O[C@@H](C[NH2+]Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000095883364 260557955 /nfs/dbraw/zinc/55/79/55/260557955.db2.gz RZAXFKGKFNQOES-HNNXBMFYSA-N 1 0 293.313 3.111 50 0 CGAARO Cc1csc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)n1 ZINC000521396543 262591636 /nfs/dbraw/zinc/59/16/36/262591636.db2.gz XSJWYEUICDWNAZ-AWEZNQCLSA-N 1 0 273.405 3.226 50 0 CGAARO C[C@H](CNC(=O)NC1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000072044364 274488720 /nfs/dbraw/zinc/48/87/20/274488720.db2.gz VMJDJERPTKFZCN-OAHLLOKOSA-N 1 0 295.471 3.129 50 0 CGAARO Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[NH2+]CC1 ZINC000022055590 274727447 /nfs/dbraw/zinc/72/74/47/274727447.db2.gz FHPIXVHJEIZKJW-UHFFFAOYSA-N 1 0 298.415 3.097 50 0 world CGAARO Cc1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000008752988 274794909 /nfs/dbraw/zinc/79/49/09/274794909.db2.gz IAFPFTDOCKXRGK-QGZVFWFLSA-N 1 0 297.402 3.419 50 0 CGAARO CC(C)c1nn(C)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037303506 275772429 /nfs/dbraw/zinc/77/24/29/275772429.db2.gz MUKUBAGDESCKJT-HNNXBMFYSA-N 1 0 285.391 3.157 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1CN1c2cccc3cccc(c23)C1=O ZINC000095382548 276170976 /nfs/dbraw/zinc/17/09/76/276170976.db2.gz QCDGRCDDKAHUMI-CQSZACIVSA-N 1 0 280.371 3.284 50 0 CGAARO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]C1CCCCC1 ZINC000095946234 277124725 /nfs/dbraw/zinc/12/47/25/277124725.db2.gz FZROXFBKPYYLSG-UONOGXRCSA-N 1 0 253.386 3.031 50 0 CGAARO COc1coc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1=O ZINC000252489046 278078082 /nfs/dbraw/zinc/07/80/82/278078082.db2.gz JEAANAMIOOLACV-INIZCTEOSA-N 1 0 299.370 3.158 50 0 CGAARO Cc1ccc([C@]2(CC[NH3+])CCO[C@@H](C(C)C)C2)cc1 ZINC000004043694 278863005 /nfs/dbraw/zinc/86/30/05/278863005.db2.gz HPVXHZLIZADOQV-IAGOWNOFSA-N 1 0 261.409 3.417 50 0 biogenic CGAARO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(O)c1)C[C@@H](C)O2 ZINC000011968613 281071659 /nfs/dbraw/zinc/07/16/59/281071659.db2.gz RHXBNXBKMXKYJP-CQSZACIVSA-N 1 0 283.371 3.484 50 0 CGAARO Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000047218880 281332140 /nfs/dbraw/zinc/33/21/40/281332140.db2.gz SVVHDHYXOWBXMA-ZDUSSCGKSA-N 1 0 255.365 3.153 50 0 CGAARO C[C@H](C[NH+](C)C)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000000056567 289520798 /nfs/dbraw/zinc/52/07/98/289520798.db2.gz INTCGJHAECYOBW-VQIMIIECSA-N 1 0 283.415 3.315 50 0 CGAARO C[C@H](c1ccc(-c2ncn(C)n2)cc1)[NH+]1CCCCC1 ZINC000426512306 290217224 /nfs/dbraw/zinc/21/72/24/290217224.db2.gz QYGQULUKZUQRNN-CYBMUJFWSA-N 1 0 270.380 3.029 50 0 CGAARO [NH3+]C1(CC(=O)N(Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000094294502 303356674 /nfs/dbraw/zinc/35/66/74/303356674.db2.gz ZJDFWJLANPASEC-UHFFFAOYSA-N 1 0 292.810 3.103 50 0 CGAARO Cc1cccc2oc(C[NH2+][C@@H]3CCCSC3)nc21 ZINC000534577673 328310825 /nfs/dbraw/zinc/31/08/25/328310825.db2.gz RLQBFHVWCPAXNZ-LLVKDONJSA-N 1 0 262.378 3.121 50 0 CGAARO CC[N@H+](C)C1(CNc2cnc3ccccc3n2)CCCC1 ZINC000534663968 328351537 /nfs/dbraw/zinc/35/15/37/328351537.db2.gz CAJYLXLLOKCRAO-UHFFFAOYSA-N 1 0 284.407 3.306 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)o1 ZINC000075103999 327123070 /nfs/dbraw/zinc/12/30/70/327123070.db2.gz IQUFAHUFAOHFBZ-BUXKBTBVSA-N 1 0 277.389 3.176 50 0 CGAARO O=C(C[C@H]1CCC[N@@H+]1Cc1cccnc1)c1ccc(F)cc1 ZINC000089794008 327173303 /nfs/dbraw/zinc/17/33/03/327173303.db2.gz UDUQDFDGOPCHMV-QGZVFWFLSA-N 1 0 298.361 3.458 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257790 330245216 /nfs/dbraw/zinc/24/52/16/330245216.db2.gz ZSECNMBCGSHNHK-RYUDHWBXSA-N 1 0 289.345 3.248 50 0 CGAARO Clc1cccc(N2CC[C@H]([NH2+]Cc3cccnc3)C2)c1 ZINC000096456835 534644787 /nfs/dbraw/zinc/64/47/87/534644787.db2.gz GWJUAAVANXWEQY-HNNXBMFYSA-N 1 0 287.794 3.104 50 0 CGAARO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1O ZINC000095972497 525211600 /nfs/dbraw/zinc/21/16/00/525211600.db2.gz QLSWBYHDANQBJF-AWEZNQCLSA-N 1 0 290.407 3.212 50 0 CGAARO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000052861726 526669018 /nfs/dbraw/zinc/66/90/18/526669018.db2.gz XKLJWEFLYVSTPC-JTQLQIEISA-N 1 0 297.811 3.473 50 0 CGAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000023114984 572335008 /nfs/dbraw/zinc/33/50/08/572335008.db2.gz KMBMKBBNGXLQPY-KRWDZBQOSA-N 1 0 255.361 3.187 50 0 CGAARO CC1(C)CC(CC(=O)N[C@@H]2C=CCCC2)CC(C)(C)[NH2+]1 ZINC000952976510 614518130 /nfs/dbraw/zinc/51/81/30/614518130.db2.gz WMXKSZGXGRJWTM-CQSZACIVSA-N 1 0 278.440 3.158 50 0 CGAARO CCCN1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000952984493 614659346 /nfs/dbraw/zinc/65/93/46/614659346.db2.gz UWMWVCIMQQKRBD-MRXNPFEDSA-N 1 0 271.408 3.132 50 0 CGAARO C[N@H+](Cc1cccnc1N)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952964532 616082199 /nfs/dbraw/zinc/08/21/99/616082199.db2.gz NZDZKANTWQXMBE-LJQANCHMSA-N 1 0 295.430 3.464 50 0 CGAARO CC(C)[NH2+]Cc1cc(-c2cccc(Br)c2)n[nH]1 ZINC000050479162 618107882 /nfs/dbraw/zinc/10/78/82/618107882.db2.gz ZQHRCGRTZAUXFA-UHFFFAOYSA-N 1 0 294.196 3.337 50 0 CGAARO Fc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002899332 618652795 /nfs/dbraw/zinc/65/27/95/618652795.db2.gz UPLJTOSKPPXANM-UHFFFAOYSA-N 1 0 251.345 3.471 50 0 CGAARO Cc1cc2c3ccccc3[nH]c2c(N2CC[NH+](C)CC2)c1 ZINC000003893667 618914512 /nfs/dbraw/zinc/91/45/12/618914512.db2.gz ZSGUQCGAGSZCST-UHFFFAOYSA-N 1 0 279.387 3.381 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)Nc1ccccc1 ZINC000581813015 799675018 /nfs/dbraw/zinc/67/50/18/799675018.db2.gz IQZXFXYUUZBAHT-UHFFFAOYSA-N 1 0 298.390 3.281 50 0 CGAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc2nsnc2c1 ZINC000820978119 800455700 /nfs/dbraw/zinc/45/57/00/800455700.db2.gz RWSBMHBBQGEHAZ-ZETCQYMHSA-N 1 0 275.299 3.122 50 0 CGAARO CCn1ccc2ccc(C[N@H+](CC)[C@H](C)CCO)cc21 ZINC000952869130 800684761 /nfs/dbraw/zinc/68/47/61/800684761.db2.gz XOGPLAKFOHULEO-CQSZACIVSA-N 1 0 274.408 3.254 50 0 CGAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1c(Cl)cncc1Cl ZINC000952861519 800684976 /nfs/dbraw/zinc/68/49/76/800684976.db2.gz HRHPYJXLIIAEOH-JTQLQIEISA-N 1 0 299.205 3.153 50 0 CGAARO CN1CCCC[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000952876106 800685854 /nfs/dbraw/zinc/68/58/54/800685854.db2.gz ZHZPDLOJUPDFFT-GFCCVEGCSA-N 1 0 279.290 3.172 50 0 CGAARO Cc1cccc(C[N@@H+](C)C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000952873773 800685875 /nfs/dbraw/zinc/68/58/75/800685875.db2.gz OGYFCRVHRGLKMG-MRXNPFEDSA-N 1 0 260.425 3.159 50 0 CGAARO C[C@H](/C=C/c1cccs1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000952878084 800686020 /nfs/dbraw/zinc/68/60/20/800686020.db2.gz YTBKRCFRSOFTAY-MUBLQREKSA-N 1 0 293.432 3.425 50 0 CGAARO CCc1ccc(C[NH2+]Cc2cc3cc(OC)ccc3[nH]2)nc1 ZINC000952869690 800686032 /nfs/dbraw/zinc/68/60/32/800686032.db2.gz LHWBXYXLTKKDFP-UHFFFAOYSA-N 1 0 295.386 3.424 50 0 CGAARO COC(=O)C(C)(C)[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000952884370 800687193 /nfs/dbraw/zinc/68/71/93/800687193.db2.gz ZJAZPCMCWWSXRU-KBPBESRZSA-N 1 0 293.432 3.022 50 0 CGAARO CC(C)(C)[N@@H+]1CC[C@@H](CNc2nncc3ccccc32)C1 ZINC000821740604 928074708 /nfs/dbraw/zinc/07/47/08/928074708.db2.gz VQLVZJMCNNPAEZ-ZDUSSCGKSA-N 1 0 284.407 3.162 50 0 CGAARO Cc1cccc2[nH]c(C3CC[NH+](C[C@@H]4CCOC4)CC3)nc21 ZINC000072163732 928799155 /nfs/dbraw/zinc/79/91/55/928799155.db2.gz MDPNEHNQATYGGJ-AWEZNQCLSA-N 1 0 299.418 3.087 50 0 CGAARO CCCO[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC001529191933 938071507 /nfs/dbraw/zinc/07/15/07/938071507.db2.gz KABQEKGPZTVNLN-QGZVFWFLSA-N 1 0 295.398 3.486 50 0 CGAARO Cc1cccc([C@H]2CCC[N@H+](CCc3ncc[nH]3)C2)c1 ZINC001529186794 938071565 /nfs/dbraw/zinc/07/15/65/938071565.db2.gz JZXWULCXGADVTM-INIZCTEOSA-N 1 0 269.392 3.140 50 0 CGAARO CCc1cnc(C)nc1NCCC[N@H+](C)C1CCCC1 ZINC001529190993 938071600 /nfs/dbraw/zinc/07/16/00/938071600.db2.gz RCFVCCVJXBAVBB-UHFFFAOYSA-N 1 0 276.428 3.024 50 0 CGAARO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096456828 230377677 /nfs/dbraw/zinc/37/76/77/230377677.db2.gz VYJXPQCHAAUMFC-APPDUMDISA-N 1 0 289.350 3.324 50 0 CGAARO OCC[C@@H]1CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000097743390 230387328 /nfs/dbraw/zinc/38/73/28/230387328.db2.gz AABQBUNFYDJPBT-INIZCTEOSA-N 1 0 289.419 3.355 50 0 CGAARO C[C@]12CC3CC(C[NH+]4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000095531966 185004800 /nfs/dbraw/zinc/00/48/00/185004800.db2.gz KKYFMJUEKBLGHW-HPZPOOBXSA-N 1 0 263.425 3.315 50 0 CGAARO Cc1nc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cs1 ZINC000095978235 185051609 /nfs/dbraw/zinc/05/16/09/185051609.db2.gz NGAIPXGIYJYBHN-SKDRFNHKSA-N 1 0 282.434 3.115 50 0 CGAARO COc1cccc(Cc2cnc([C@H]3CCCC[NH2+]3)o2)c1 ZINC000096032187 185067130 /nfs/dbraw/zinc/06/71/30/185067130.db2.gz WCGSUMAQJPCBNY-OAHLLOKOSA-N 1 0 272.348 3.089 50 0 CGAARO C[C@H]([NH2+]CCCc1cc(F)cc(F)c1)c1cnccn1 ZINC000097032899 185156275 /nfs/dbraw/zinc/15/62/75/185156275.db2.gz YRJCNTJCZMVHAE-NSHDSACASA-N 1 0 277.318 3.038 50 0 CGAARO CC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@H]1CCCO1 ZINC000097035058 185157654 /nfs/dbraw/zinc/15/76/54/185157654.db2.gz VCGPBNRDPPYQHL-DGCLKSJQSA-N 1 0 288.313 3.148 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125518929 187189198 /nfs/dbraw/zinc/18/91/98/187189198.db2.gz RHWVCWYURZNZNS-QGZVFWFLSA-N 1 0 268.360 3.427 50 0 CGAARO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1 ZINC000007786522 529835117 /nfs/dbraw/zinc/83/51/17/529835117.db2.gz QKBSZIWYHOFIPJ-UHFFFAOYSA-N 1 0 294.826 3.221 50 0 CGAARO CC(C)c1nnc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)n1C ZINC000097110032 185535561 /nfs/dbraw/zinc/53/55/61/185535561.db2.gz DYCOXSAEFQEPIM-ZIAGYGMSSA-N 1 0 286.423 3.220 50 0 CGAARO CCC(C)(C)C[NH2+]C[C@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000076042617 345531511 /nfs/dbraw/zinc/53/15/11/345531511.db2.gz AFJUGXMTMIBMCE-GDBMZVCRSA-N 1 0 293.455 3.140 50 0 CGAARO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](C)c1ccccc1)C2 ZINC000170593899 346194293 /nfs/dbraw/zinc/19/42/93/346194293.db2.gz ARRYKCXAWJBUCF-ZVZYQTTQSA-N 1 0 287.403 3.065 50 0 CGAARO Cc1cc(Cl)ccc1C[NH+]1CCC(OCCCO)CC1 ZINC000195566224 346274209 /nfs/dbraw/zinc/27/42/09/346274209.db2.gz VNEZKUHODFMGBV-UHFFFAOYSA-N 1 0 297.826 3.012 50 0 CGAARO CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000217892296 346292018 /nfs/dbraw/zinc/29/20/18/346292018.db2.gz USNILLZDFJEBTP-STQMWFEESA-N 1 0 284.444 3.458 50 0 CGAARO Clc1ccc(Cn2c[n+](CCc3ccccc3)cn2)cc1 ZINC000230519436 346321164 /nfs/dbraw/zinc/32/11/64/346321164.db2.gz UCJIPABGRRQFAN-UHFFFAOYSA-N 1 0 298.797 3.115 50 0 CGAARO Cc1[nH]c2c(ccc(C)c2C)c1CC[NH2+][C@H]1CCOC1 ZINC000584894179 346722794 /nfs/dbraw/zinc/72/27/94/346722794.db2.gz VJTJIEPKGHZZNI-AWEZNQCLSA-N 1 0 272.392 3.014 50 0 CGAARO c1ccc(C[NH+]2CCC(CCNc3ccncn3)CC2)cc1 ZINC000091781692 180254021 /nfs/dbraw/zinc/25/40/21/180254021.db2.gz BSGLBRNXHJNACR-UHFFFAOYSA-N 1 0 296.418 3.191 50 0 CGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000107058489 186157772 /nfs/dbraw/zinc/15/77/72/186157772.db2.gz CYMWBKDKJFWEDU-INMHGKMJSA-N 1 0 288.435 3.230 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000108115420 186205013 /nfs/dbraw/zinc/20/50/13/186205013.db2.gz GGQIVFYLAWPICE-MGPQQGTHSA-N 1 0 294.464 3.482 50 0 CGAARO Cc1cc(C)n(CCC[NH2+][C@H]2CCc3ccccc3C2)n1 ZINC000120743109 186922136 /nfs/dbraw/zinc/92/21/36/186922136.db2.gz YBWORVHFZOBETI-SFHVURJKSA-N 1 0 283.419 3.037 50 0 CGAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000157604848 188328043 /nfs/dbraw/zinc/32/80/43/188328043.db2.gz HXZRHCCCAVMUDI-NSHDSACASA-N 1 0 283.297 3.303 50 0 CGAARO CCO[C@H]1C[C@@H]([NH2+]Cc2cccn2C)C12CCCCC2 ZINC000170015906 188667341 /nfs/dbraw/zinc/66/73/41/188667341.db2.gz KTDGNRSRFIPEHW-CVEARBPZSA-N 1 0 276.424 3.243 50 0 CGAARO Cc1cccc(C)c1OCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341988629 216180164 /nfs/dbraw/zinc/18/01/64/216180164.db2.gz JHVMEDONXNJWPN-SFHVURJKSA-N 1 0 289.419 3.185 50 0 CGAARO CCOC(=O)N1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC000000220004 368318849 /nfs/dbraw/zinc/31/88/49/368318849.db2.gz ZOSYSQBQGCZOOI-UHFFFAOYSA-N 1 0 290.407 3.129 50 0 CGAARO NC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000000217043 368319136 /nfs/dbraw/zinc/31/91/36/368319136.db2.gz NPICVLSCWOTDEH-UHFFFAOYSA-N 1 0 294.398 3.051 50 0 CGAARO COc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000243813 368323195 /nfs/dbraw/zinc/32/31/95/368323195.db2.gz HJZOCZZRAZRASE-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)Nc1cccc2ccccc21 ZINC000000124866 368296039 /nfs/dbraw/zinc/29/60/39/368296039.db2.gz HRLTXTHLGGUTHM-UHFFFAOYSA-N 1 0 297.402 3.447 50 0 CGAARO CCc1cc2c(ncnc2Nc2cc[nH+]cc2)s1 ZINC000000126393 368296231 /nfs/dbraw/zinc/29/62/31/368296231.db2.gz IKJJNVYDMQPDQJ-UHFFFAOYSA-N 1 0 256.334 3.392 50 0 CGAARO Nc1[nH+]c2ccccc2n1Cc1ccccc1Cl ZINC000000255087 368326022 /nfs/dbraw/zinc/32/60/22/368326022.db2.gz PZLAZHLMSZCPEY-UHFFFAOYSA-N 1 0 257.724 3.320 50 0 CGAARO COc1ccc(C[NH2+]C2CCCC2)cc1Br ZINC000000293370 368334328 /nfs/dbraw/zinc/33/43/28/368334328.db2.gz YKMDVJNTWQQGOH-UHFFFAOYSA-N 1 0 284.197 3.490 50 0 CGAARO CC(C)(C)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000000564330 368387793 /nfs/dbraw/zinc/38/77/93/368387793.db2.gz CTNNYEVNXYZUOW-UHFFFAOYSA-N 1 0 265.744 3.278 50 0 CGAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OCC ZINC000002178137 368448868 /nfs/dbraw/zinc/44/88/68/368448868.db2.gz HOWXVEQSUZIWQX-UHFFFAOYSA-N 1 0 271.788 3.255 50 0 CGAARO COc1ccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)cc1 ZINC000002514884 368459543 /nfs/dbraw/zinc/45/95/43/368459543.db2.gz CEBDRMRJSARRDT-UHFFFAOYSA-N 1 0 293.366 3.298 50 0 CGAARO CC[C@@H](C)c1ccc(OCC[NH2+]CCCOC)cc1 ZINC000003000475 368488308 /nfs/dbraw/zinc/48/83/08/368488308.db2.gz HXRCCKYLNBUNHL-CQSZACIVSA-N 1 0 265.397 3.205 50 0 CGAARO C/C=C1\C[N@@H+]2CC[C@]34c5ccccc5N[C@H]3[C@@H](C)[C@H]1C[C@H]24 ZINC000004000090 368526002 /nfs/dbraw/zinc/52/60/02/368526002.db2.gz FLDBRPFNTUIDRT-TYZRXQNCSA-N 1 0 280.415 3.409 50 0 biogenic CGAARO OCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000004670742 368556325 /nfs/dbraw/zinc/55/63/25/368556325.db2.gz XHFNUKUZWHMXMR-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO CC(=O)c1cccc(OCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004870339 368558754 /nfs/dbraw/zinc/55/87/54/368558754.db2.gz BISMXCWBLKDMJP-AWEZNQCLSA-N 1 0 275.392 3.390 50 0 CGAARO C[C@@H]1CCC[N@H+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000005092943 368562230 /nfs/dbraw/zinc/56/22/30/368562230.db2.gz GDTCYKNWOQXPNI-LTIDMASMSA-N 1 0 297.483 3.311 50 0 CGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000004205829 368536604 /nfs/dbraw/zinc/53/66/04/368536604.db2.gz HLJWXVNLMPURGL-BZPMIXESSA-N 1 0 261.365 3.330 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccsc2)cc1OC ZINC000004512844 368548710 /nfs/dbraw/zinc/54/87/10/368548710.db2.gz SHVMXSFFCMBCAM-UHFFFAOYSA-N 1 0 277.389 3.098 50 0 CGAARO CCOCCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000004537815 368549158 /nfs/dbraw/zinc/54/91/58/368549158.db2.gz NHRQXELOVFXXSD-KRWDZBQOSA-N 1 0 270.376 3.187 50 0 CGAARO Cc1cccc(C(=O)O[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000004552907 368550331 /nfs/dbraw/zinc/55/03/31/368550331.db2.gz IMINSZZAJSJCJP-AWEZNQCLSA-N 1 0 261.365 3.026 50 0 CGAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 ZINC000012442734 368613338 /nfs/dbraw/zinc/61/33/38/368613338.db2.gz USWDHLYZERHJDA-UHFFFAOYSA-N 1 0 294.826 3.190 50 0 CGAARO C[NH2+][C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012505225 368614720 /nfs/dbraw/zinc/61/47/20/368614720.db2.gz ULWIJXBTSGBXFE-LBPRGKRZSA-N 1 0 251.333 3.306 50 0 CGAARO CC[NH+](CC)C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013304206 368649316 /nfs/dbraw/zinc/64/93/16/368649316.db2.gz BQVXVLMTOLHEMR-HWOWSKLDSA-N 1 0 285.472 3.311 50 0 CGAARO Cc1ccc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c2c1 ZINC000013566542 368657918 /nfs/dbraw/zinc/65/79/18/368657918.db2.gz LLOGZROSNZQJEZ-UHFFFAOYSA-N 1 0 292.382 3.169 50 0 CGAARO Cc1ccccc1Oc1ncccc1C[NH2+]C1CCOCC1 ZINC000015066362 368690153 /nfs/dbraw/zinc/69/01/53/368690153.db2.gz FCCKDFIKAJQZJK-UHFFFAOYSA-N 1 0 298.386 3.451 50 0 CGAARO COc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCCCC1 ZINC000016578098 368714713 /nfs/dbraw/zinc/71/47/13/368714713.db2.gz XCMPKGIWLBIXBT-UHFFFAOYSA-N 1 0 296.798 3.209 50 0 CGAARO COc1cccc(C[NH2+]CCc2cccc(F)c2)c1OC ZINC000019720630 368760787 /nfs/dbraw/zinc/76/07/87/368760787.db2.gz ZZEIXDWOKFBYCF-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COCCC[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000019738581 368763141 /nfs/dbraw/zinc/76/31/41/368763141.db2.gz KMQCJWYHMCPKKI-AWEZNQCLSA-N 1 0 265.397 3.203 50 0 CGAARO c1coc(C[NH2+][C@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000019771112 368764455 /nfs/dbraw/zinc/76/44/55/368764455.db2.gz VGWBPGXNMWBIFN-SFHVURJKSA-N 1 0 298.430 3.466 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC000019810535 368769160 /nfs/dbraw/zinc/76/91/60/368769160.db2.gz BSUYZWOOHOUYRP-SFHVURJKSA-N 1 0 285.362 3.449 50 0 CGAARO C[N@@H+]1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019536943 368756974 /nfs/dbraw/zinc/75/69/74/368756974.db2.gz VWJAYGIZVFLNFB-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)o1)c1ccsc1 ZINC000023133368 368816677 /nfs/dbraw/zinc/81/66/77/368816677.db2.gz ADYHOOHNFXJBEH-SNVBAGLBSA-N 1 0 298.795 3.027 50 0 CGAARO CCC(CC)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019900107 368777807 /nfs/dbraw/zinc/77/78/07/368777807.db2.gz KXVAWPOEPANUKU-HNNXBMFYSA-N 1 0 250.430 3.149 50 0 CGAARO CC[NH+](CC)CCNc1nc2ccc(C)cc2s1 ZINC000026423975 368857785 /nfs/dbraw/zinc/85/77/85/368857785.db2.gz FPAYQWBTWYCBSC-UHFFFAOYSA-N 1 0 263.410 3.358 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000027355525 368870220 /nfs/dbraw/zinc/87/02/20/368870220.db2.gz BQWOLWBHKQKCEI-LBPRGKRZSA-N 1 0 295.814 3.336 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)o1)c1cccs1 ZINC000027679191 368875232 /nfs/dbraw/zinc/87/52/32/368875232.db2.gz KQWUGVSXUVYZHZ-VIFPVBQESA-N 1 0 298.795 3.027 50 0 CGAARO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925570 368890413 /nfs/dbraw/zinc/89/04/13/368890413.db2.gz JZBLQLKSOLTTKX-CYBMUJFWSA-N 1 0 295.386 3.281 50 0 CGAARO C[N@H+](CC(=O)Nc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000029482895 368897397 /nfs/dbraw/zinc/89/73/97/368897397.db2.gz WMXJMCDOCPPXTL-QGZVFWFLSA-N 1 0 280.371 3.244 50 0 CGAARO Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000034863243 368979371 /nfs/dbraw/zinc/97/93/71/368979371.db2.gz BWSHFQZRQUKHHL-UHFFFAOYSA-N 1 0 284.403 3.342 50 0 CGAARO Cc1ccc(Cl)cc1NC(=O)C[NH2+]CC1CCCC1 ZINC000036823818 369031486 /nfs/dbraw/zinc/03/14/86/369031486.db2.gz PCRVRLQTIQCQLE-UHFFFAOYSA-N 1 0 280.799 3.367 50 0 CGAARO FC(F)SCc1ccc(C[NH2+]C[C@H]2CCCO2)o1 ZINC000035014489 368989340 /nfs/dbraw/zinc/98/93/40/368989340.db2.gz JMHJWYPIPJRQRO-SECBINFHSA-N 1 0 277.336 3.004 50 0 CGAARO [NH3+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000037761758 369105084 /nfs/dbraw/zinc/10/50/84/369105084.db2.gz IAYYWQKHEGNAIJ-MRXNPFEDSA-N 1 0 252.292 3.422 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000048482607 369356173 /nfs/dbraw/zinc/35/61/73/369356173.db2.gz SLQFVDJIELOVDC-CHWSQXEVSA-N 1 0 294.826 3.048 50 0 CGAARO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000049538414 369407550 /nfs/dbraw/zinc/40/75/50/369407550.db2.gz DNQWBESNVTWRNM-WFASDCNBSA-N 1 0 273.401 3.401 50 0 CGAARO COCC[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000052774421 369471935 /nfs/dbraw/zinc/47/19/35/369471935.db2.gz ZBRZJKPRPKRMPR-UHFFFAOYSA-N 1 0 261.390 3.397 50 0 CGAARO c1cc2c(cccc2N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000053006914 369476588 /nfs/dbraw/zinc/47/65/88/369476588.db2.gz JLZIBIQTDGMAFZ-UHFFFAOYSA-N 1 0 291.398 3.490 50 0 in-vivo CGAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000055095307 369510684 /nfs/dbraw/zinc/51/06/84/369510684.db2.gz RESWNLDCSHJKQL-MRXNPFEDSA-N 1 0 272.392 3.422 50 0 CGAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000055168327 369512191 /nfs/dbraw/zinc/51/21/91/369512191.db2.gz BYPYEMNCKKTEFT-ZDUSSCGKSA-N 1 0 296.798 3.221 50 0 CGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058271193 369561801 /nfs/dbraw/zinc/56/18/01/369561801.db2.gz ASQSWICOWUXMKR-OLZOCXBDSA-N 1 0 294.826 3.077 50 0 CGAARO CC(C)C[C@@]1(CO)CCC[N@H+](Cc2cccs2)C1 ZINC000065435322 369675888 /nfs/dbraw/zinc/67/58/88/369675888.db2.gz MBDWENRCFBGIJR-HNNXBMFYSA-N 1 0 267.438 3.369 50 0 CGAARO FC(F)(F)c1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065622585 369685034 /nfs/dbraw/zinc/68/50/34/369685034.db2.gz ATOVKIXOHFKFDL-CQSZACIVSA-N 1 0 298.352 3.376 50 0 CGAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460268 369760212 /nfs/dbraw/zinc/76/02/12/369760212.db2.gz NVWCMVPHPUKQHQ-CHWSQXEVSA-N 1 0 296.374 3.022 50 0 CGAARO c1cncc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531472 369763465 /nfs/dbraw/zinc/76/34/65/369763465.db2.gz FAZBZAPZZYGVFY-SFHVURJKSA-N 1 0 287.451 3.170 50 0 CGAARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000069630122 369766202 /nfs/dbraw/zinc/76/62/02/369766202.db2.gz NACBVWGUOURYQI-MLGOLLRUSA-N 1 0 288.366 3.109 50 0 CGAARO Cc1cc(N2CCC[C@]3(CC[N@@H+](C)C3)C2)nc2ccccc12 ZINC000067804165 369730152 /nfs/dbraw/zinc/73/01/52/369730152.db2.gz FBZZMCFAAOHMLE-LJQANCHMSA-N 1 0 295.430 3.465 50 0 CGAARO Cc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2F)nn1 ZINC000067934409 369735243 /nfs/dbraw/zinc/73/52/43/369735243.db2.gz ZVTPRLVFYBBJEP-UHFFFAOYSA-N 1 0 287.338 3.312 50 0 CGAARO Cc1nc2cc(-c3cccc4c3CC[NH2+]C4)ccc2o1 ZINC000071404110 369809238 /nfs/dbraw/zinc/80/92/38/369809238.db2.gz LMHYCUZDRCOMIB-UHFFFAOYSA-N 1 0 264.328 3.449 50 0 CGAARO C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1)CC2 ZINC000072424671 369819588 /nfs/dbraw/zinc/81/95/88/369819588.db2.gz GQJDBEYPDURDCH-UHFFFAOYSA-N 1 0 281.403 3.299 50 0 CGAARO CSCCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000072475651 369822688 /nfs/dbraw/zinc/82/26/88/369822688.db2.gz YBECCIKHMHZTKD-GFCCVEGCSA-N 1 0 253.386 3.368 50 0 CGAARO CCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069917369 369774682 /nfs/dbraw/zinc/77/46/82/369774682.db2.gz KIAAVHGAKYUDNA-CQSZACIVSA-N 1 0 289.354 3.346 50 0 CGAARO O=C(CC[NH+]1CCCC1)NCc1ccc(-c2ccccc2)o1 ZINC000072999790 369847724 /nfs/dbraw/zinc/84/77/24/369847724.db2.gz YESAEEOOMZRXRW-UHFFFAOYSA-N 1 0 298.386 3.049 50 0 CGAARO C[NH+](C)[C@H]1CCCCN(Cc2ccc(Cl)s2)C1 ZINC000082098092 370000272 /nfs/dbraw/zinc/00/02/72/370000272.db2.gz CHKFUEWPEYRPBG-NSHDSACASA-N 1 0 272.845 3.318 50 0 CGAARO C[NH+](C)[C@H](CNc1nccc2occc21)Cc1ccccc1 ZINC000089313906 370040347 /nfs/dbraw/zinc/04/03/47/370040347.db2.gz QLONRQKJUOGVQO-HNNXBMFYSA-N 1 0 295.386 3.413 50 0 CGAARO C1=C(CC[NH2+]C2CCN(Cc3ccccn3)CC2)CCC1 ZINC000090798609 370069705 /nfs/dbraw/zinc/06/97/05/370069705.db2.gz QPSBPHQQWULBIQ-UHFFFAOYSA-N 1 0 285.435 3.136 50 0 CGAARO C1CCC(O[C@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)C1 ZINC000090916372 370071733 /nfs/dbraw/zinc/07/17/33/370071733.db2.gz SVZIKETWMVESNT-HOTGVXAUSA-N 1 0 267.413 3.025 50 0 CGAARO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nccn1C(F)F ZINC000095376591 370180623 /nfs/dbraw/zinc/18/06/23/370180623.db2.gz BLTRZMQZVGYLGZ-WDEREUQCSA-N 1 0 257.328 3.289 50 0 CGAARO Cc1nnc(C[NH2+][C@H](Cc2ccccc2)C2CCCC2)n1C ZINC000097034227 370216090 /nfs/dbraw/zinc/21/60/90/370216090.db2.gz PIFPFYHZRPQQTK-QGZVFWFLSA-N 1 0 298.434 3.015 50 0 CGAARO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cncs2)CCO1 ZINC000097047089 370219474 /nfs/dbraw/zinc/21/94/74/370219474.db2.gz QRNWORPWYXGXIJ-TZMCWYRMSA-N 1 0 268.426 3.217 50 0 CGAARO Cc1cccc2c(CC[NH2+][C@@H](C)CCn3cccn3)c[nH]c21 ZINC000097049308 370219556 /nfs/dbraw/zinc/21/95/56/370219556.db2.gz CSXYKNDNVMLWQM-HNNXBMFYSA-N 1 0 296.418 3.284 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000095420037 370186718 /nfs/dbraw/zinc/18/67/18/370186718.db2.gz WGSWOZHWKLMIKO-CQSZACIVSA-N 1 0 271.408 3.180 50 0 CGAARO Cc1cccc(C[NH2+][C@H](C)CSC(C)(C)C)n1 ZINC000095420622 370187751 /nfs/dbraw/zinc/18/77/51/370187751.db2.gz SEAGJIYKESNDRC-GFCCVEGCSA-N 1 0 252.427 3.400 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1 ZINC000095421678 370187979 /nfs/dbraw/zinc/18/79/79/370187979.db2.gz QXNGDJILTIJGLV-AWEZNQCLSA-N 1 0 257.381 3.012 50 0 CGAARO Cc1csc(CCC[NH2+][C@H]2CC(C)(C)OC2(C)C)n1 ZINC000095421647 370188897 /nfs/dbraw/zinc/18/88/97/370188897.db2.gz UVRBUSMPPFQVKK-LBPRGKRZSA-N 1 0 282.453 3.320 50 0 CGAARO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423034 370189805 /nfs/dbraw/zinc/18/98/05/370189805.db2.gz GMSVGVDCHZKWLR-NHYWBVRUSA-N 1 0 279.380 3.446 50 0 CGAARO c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccn2)cc1 ZINC000095435735 370192702 /nfs/dbraw/zinc/19/27/02/370192702.db2.gz YLXBSSPLEVCBSU-YJBOKZPZSA-N 1 0 282.387 3.339 50 0 CGAARO CCC[C@H](C)C[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000095467753 370198348 /nfs/dbraw/zinc/19/83/48/370198348.db2.gz YSLHUAYHDOFJAK-GUTXKFCHSA-N 1 0 255.402 3.134 50 0 CGAARO COc1ccccc1SCCC1CC[NH2+]CC1 ZINC000095908658 370201440 /nfs/dbraw/zinc/20/14/40/370201440.db2.gz UZXMWBDZEHZTTN-UHFFFAOYSA-N 1 0 251.395 3.177 50 0 CGAARO C[C@H](c1cccc(-c2csc(C(N)=O)c2)c1)[NH+](C)C ZINC000096138067 370203982 /nfs/dbraw/zinc/20/39/82/370203982.db2.gz LLDRWVCNDHURRY-SNVBAGLBSA-N 1 0 274.389 3.137 50 0 CGAARO CCn1nc(-c2ccncc2)nc1[C@@H]([NH3+])CC1CCCCC1 ZINC000096152495 370204476 /nfs/dbraw/zinc/20/44/76/370204476.db2.gz NEIXSYAKLUFBLD-HNNXBMFYSA-N 1 0 299.422 3.330 50 0 CGAARO O=C(CSC1=[NH+]CCN1)C12CC3CC(CC(C3)C1)C2 ZINC000100870569 370284508 /nfs/dbraw/zinc/28/45/08/370284508.db2.gz DBFPTGBWDUXKDQ-LCYFTJDESA-N 1 0 278.421 3.295 50 0 CGAARO O[C@@H](c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000101354688 370288898 /nfs/dbraw/zinc/28/88/98/370288898.db2.gz GUVADVVPSJFACH-ROUUACIJSA-N 1 0 267.372 3.242 50 0 CGAARO CC(=O)N(CCC[NH+](C)C)C[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C ZINC000101788768 370296237 /nfs/dbraw/zinc/29/62/37/370296237.db2.gz ZLYRCIIIWXAQLB-YQQAZPJKSA-N 1 0 280.456 3.025 50 0 biogenic CGAARO C[C@](O)(C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000130068601 371010538 /nfs/dbraw/zinc/01/05/38/371010538.db2.gz QLQBUUOHTAZUNM-GVXVVHGQSA-N 1 0 291.313 3.198 50 0 CGAARO CC[N@H+](CCOC)Cc1ccc2cc(Cl)ccc2n1 ZINC000219920679 376204873 /nfs/dbraw/zinc/20/48/73/376204873.db2.gz LJTXQRWYOKMPTP-UHFFFAOYSA-N 1 0 278.783 3.357 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]CC1(CO)CCCC1 ZINC000135076025 371389078 /nfs/dbraw/zinc/38/90/78/371389078.db2.gz RUCBRPDAKUPABR-HNNXBMFYSA-N 1 0 261.409 3.150 50 0 CGAARO c1[nH]nc(-c2ccccc2)c1C[NH2+][C@H]1CCCSC1 ZINC000135701608 371445667 /nfs/dbraw/zinc/44/56/67/371445667.db2.gz YAVYOSBPHDJMFZ-AWEZNQCLSA-N 1 0 273.405 3.062 50 0 CGAARO CCc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nn1C ZINC000426477540 372159912 /nfs/dbraw/zinc/15/99/12/372159912.db2.gz IWOWGNNFJLOMBV-ZDUSSCGKSA-N 1 0 284.407 3.201 50 0 CGAARO C[C@H](c1ccc(-c2ccnn2C)cc1)[NH+]1CCCC1 ZINC000426737518 372170747 /nfs/dbraw/zinc/17/07/47/372170747.db2.gz OAWHVZCLPQBMIH-CYBMUJFWSA-N 1 0 255.365 3.244 50 0 CGAARO C[C@H]([NH2+]Cc1ccccc1)[C@H]1COc2ccccc21 ZINC000169159183 372627395 /nfs/dbraw/zinc/62/73/95/372627395.db2.gz YKFPAHJGPZRWQF-XJKSGUPXSA-N 1 0 253.345 3.341 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000170088212 372634875 /nfs/dbraw/zinc/63/48/75/372634875.db2.gz CNYLBGQCNMPGAD-RHSMWYFYSA-N 1 0 285.391 3.092 50 0 CGAARO CC(C)(C)SCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000084240985 541933077 /nfs/dbraw/zinc/93/30/77/541933077.db2.gz AUWVLQPZBGWLEX-UHFFFAOYSA-N 1 0 281.421 3.079 50 0 CGAARO c1cc(-c2noc(C[N@@H+]3CCC[C@H]3C3CCC3)n2)co1 ZINC000084618104 541933662 /nfs/dbraw/zinc/93/36/62/541933662.db2.gz OARVAWFFHSJCMR-ZDUSSCGKSA-N 1 0 273.336 3.094 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1 ZINC000090454865 541961600 /nfs/dbraw/zinc/96/16/00/541961600.db2.gz IWTUHNQUSMHJAX-SMDDNHRTSA-N 1 0 281.359 3.364 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1)c1cccnc1 ZINC000092740241 541976859 /nfs/dbraw/zinc/97/68/59/541976859.db2.gz ZXXBCWJVCBDXTA-QWHCGFSZSA-N 1 0 274.339 3.339 50 0 CGAARO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2ccccc2s1 ZINC000188106359 375159204 /nfs/dbraw/zinc/15/92/04/375159204.db2.gz OSCRIFAGFJGZEP-NHYWBVRUSA-N 1 0 293.457 3.420 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000195529994 376111994 /nfs/dbraw/zinc/11/19/94/376111994.db2.gz BJEUFPWCOVJBPU-MAUKXSAKSA-N 1 0 281.403 3.007 50 0 CGAARO Cc1ccc(-c2ccc(CN3CCC[C@H]([NH3+])C3)cc2)o1 ZINC000214964886 376144079 /nfs/dbraw/zinc/14/40/79/376144079.db2.gz SVNZAYULCDPDLR-INIZCTEOSA-N 1 0 270.376 3.178 50 0 CGAARO Cc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000215811576 376152626 /nfs/dbraw/zinc/15/26/26/376152626.db2.gz YMUHZEFVPTZUJP-QGZVFWFLSA-N 1 0 276.399 3.194 50 0 CGAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)on1 ZINC000215954886 376154733 /nfs/dbraw/zinc/15/47/33/376154733.db2.gz XGRJZAZAWMYZTP-MRXNPFEDSA-N 1 0 285.391 3.365 50 0 CGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(Cl)o1 ZINC000216099316 376159801 /nfs/dbraw/zinc/15/98/01/376159801.db2.gz JMNFGFYMTDUGKZ-LLVKDONJSA-N 1 0 264.756 3.391 50 0 CGAARO FC(F)Oc1ccccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000216435183 376164281 /nfs/dbraw/zinc/16/42/81/376164281.db2.gz MEZBYRIGBZYSRO-UKRRQHHQSA-N 1 0 297.345 3.431 50 0 CGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000216436174 376164374 /nfs/dbraw/zinc/16/43/74/376164374.db2.gz XUKGDYWZPSIQFE-SJORKVTESA-N 1 0 290.382 3.351 50 0 CGAARO Cc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)c[nH]1 ZINC000216425270 376164394 /nfs/dbraw/zinc/16/43/94/376164394.db2.gz GCWUFCPSZXVWTH-KRWDZBQOSA-N 1 0 299.418 3.411 50 0 CGAARO CCn1cnnc1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000222035988 376227504 /nfs/dbraw/zinc/22/75/04/376227504.db2.gz ODYBYSUUFKVNGI-HZPDHXFCSA-N 1 0 284.407 3.114 50 0 CGAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000222112231 376229700 /nfs/dbraw/zinc/22/97/00/376229700.db2.gz BOYKPAVMERISQT-ZMSDIMECSA-N 1 0 261.409 3.067 50 0 CGAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225462273 376311274 /nfs/dbraw/zinc/31/12/74/376311274.db2.gz TVDXQBIWMQYHGR-GHMZBOCLSA-N 1 0 271.763 3.072 50 0 CGAARO Cc1cccc([C@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000225548030 376316346 /nfs/dbraw/zinc/31/63/46/376316346.db2.gz KRGRTWXJMAWMNM-UONOGXRCSA-N 1 0 287.325 3.098 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2CCCC23CCOCC3)c(C)s1 ZINC000225726658 376323421 /nfs/dbraw/zinc/32/34/21/376323421.db2.gz BTSXBESCQVBKKR-CQSZACIVSA-N 1 0 280.437 3.199 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000230109186 376483922 /nfs/dbraw/zinc/48/39/22/376483922.db2.gz VBHNHRNINAVSQL-NUJGCVRESA-N 1 0 291.435 3.211 50 0 CGAARO CC1CCC(N(C(=O)CCCCCC[NH3+])C2CC2)CC1 ZINC000236665638 376681715 /nfs/dbraw/zinc/68/17/15/376681715.db2.gz YCPSDUFDMCKAPP-UHFFFAOYSA-N 1 0 280.456 3.465 50 0 CGAARO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000237380402 376739986 /nfs/dbraw/zinc/73/99/86/376739986.db2.gz RTSZPHUVTBBQTD-GDBMZVCRSA-N 1 0 288.435 3.001 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000242047944 376780239 /nfs/dbraw/zinc/78/02/39/376780239.db2.gz VRLICOZVESFNON-OWCLPIDISA-N 1 0 292.467 3.215 50 0 CGAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](CCCc2ccco2)C1 ZINC000244724684 376795954 /nfs/dbraw/zinc/79/59/54/376795954.db2.gz MYODXEKYWBRGQD-OAHLLOKOSA-N 1 0 298.386 3.202 50 0 CGAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)C)on1 ZINC000244811504 376800012 /nfs/dbraw/zinc/80/00/12/376800012.db2.gz SEAZSGXDOZQNPG-AWEZNQCLSA-N 1 0 266.385 3.189 50 0 CGAARO Clc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252467537 377626138 /nfs/dbraw/zinc/62/61/38/377626138.db2.gz QAXQTJMEIVXCQD-HNNXBMFYSA-N 1 0 264.800 3.010 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@]1(C)CCCO1 ZINC000252484785 377627656 /nfs/dbraw/zinc/62/76/56/377627656.db2.gz GHLJCDXTUXRIBM-QRTARXTBSA-N 1 0 259.393 3.264 50 0 CGAARO CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487312 377631102 /nfs/dbraw/zinc/63/11/02/377631102.db2.gz VKUNOHLYEAHMJT-VYDXJSESSA-N 1 0 273.424 3.139 50 0 CGAARO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000252493397 377632867 /nfs/dbraw/zinc/63/28/67/377632867.db2.gz NBIWATMHAMNBDH-GOSISDBHSA-N 1 0 298.434 3.111 50 0 CGAARO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCN(c3ccccn3)C2)C1 ZINC000252571493 377638285 /nfs/dbraw/zinc/63/82/85/377638285.db2.gz YBAIOEPLEZOJGE-XIRDDKMYSA-N 1 0 285.435 3.242 50 0 CGAARO COCC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000253416094 377690813 /nfs/dbraw/zinc/69/08/13/377690813.db2.gz YJDRNERRBSNJDE-NHYWBVRUSA-N 1 0 293.798 3.492 50 0 CGAARO CC[C@@H](C[N@H+](C)CCc1cnccn1)c1ccccc1 ZINC000253419951 377691514 /nfs/dbraw/zinc/69/15/14/377691514.db2.gz SZBJTBCPVQLLCH-HNNXBMFYSA-N 1 0 269.392 3.145 50 0 CGAARO CC[C@H]([NH3+])C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000253428719 377693932 /nfs/dbraw/zinc/69/39/32/377693932.db2.gz BCXOUGTWTUJAAM-AWEZNQCLSA-N 1 0 274.389 3.019 50 0 CGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000269288212 378204498 /nfs/dbraw/zinc/20/44/98/378204498.db2.gz TVXJXEJYOIBZCF-KKSDUGGKSA-N 1 0 298.839 3.001 50 0 CGAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000000176560 169564963 /nfs/dbraw/zinc/56/49/63/169564963.db2.gz KJTYOUONZZMJBQ-LBPRGKRZSA-N 1 0 280.799 3.401 50 0 CGAARO C[NH+](C)CCn1c(COc2ccccc2)nc2ccccc21 ZINC000000346679 169613111 /nfs/dbraw/zinc/61/31/11/169613111.db2.gz NQQFZWCFLOBNAC-UHFFFAOYSA-N 1 0 295.386 3.177 50 0 CGAARO CCOCc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000052046540 184566935 /nfs/dbraw/zinc/56/69/35/184566935.db2.gz DWEHYVFRFZRDCZ-UHFFFAOYSA-N 1 0 283.375 3.360 50 0 CGAARO CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000251738379 542347866 /nfs/dbraw/zinc/34/78/66/542347866.db2.gz SYOZACZHKPMCKL-FVPDABNVSA-N 1 0 250.430 3.170 50 0 CGAARO CC(C)[NH2+]C[C@@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000001381771 169697153 /nfs/dbraw/zinc/69/71/53/169697153.db2.gz SWDGCFDQVDODGO-QGZVFWFLSA-N 1 0 273.351 3.060 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000002578310 533498071 /nfs/dbraw/zinc/49/80/71/533498071.db2.gz ORRLQZXGGQWUGA-UHFFFAOYSA-N 1 0 285.387 3.345 50 0 biogenic CGAARO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000096414846 392251374 /nfs/dbraw/zinc/25/13/74/392251374.db2.gz LXXMJTLZPILGHJ-MRXNPFEDSA-N 1 0 288.370 3.205 50 0 CGAARO CCc1c(C)[nH+]c2ccccc2c1N1CCC(O)CC1 ZINC000096496045 392255962 /nfs/dbraw/zinc/25/59/62/392255962.db2.gz GYWNKWFFKDAREM-UHFFFAOYSA-N 1 0 270.376 3.067 50 0 CGAARO CC1(C)C[N@H+](CCCn2ccnc2)C[C@@H]1c1ccccc1 ZINC000375001246 392725508 /nfs/dbraw/zinc/72/55/08/392725508.db2.gz ALNQWSOEZMHOLS-QGZVFWFLSA-N 1 0 283.419 3.399 50 0 CGAARO C[N@H+](CCC1CCOCC1)Cc1ccc(Cl)o1 ZINC000215424379 392987407 /nfs/dbraw/zinc/98/74/07/392987407.db2.gz WJAJKAJYZPRFGB-UHFFFAOYSA-N 1 0 257.761 3.182 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)on1 ZINC000420949281 393553509 /nfs/dbraw/zinc/55/35/09/393553509.db2.gz OQKPEYRGLOQFMS-SNVBAGLBSA-N 1 0 262.275 3.147 50 0 CGAARO COCC[C@H]1C[N@H+](Cc2cccc3c(C)cccc23)CCO1 ZINC000670434413 543154395 /nfs/dbraw/zinc/15/43/95/543154395.db2.gz NZASUIKXYKUKAL-KRWDZBQOSA-N 1 0 299.414 3.386 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000670448676 543155183 /nfs/dbraw/zinc/15/51/83/543155183.db2.gz ZVHXEJMWROWQBE-NSHDSACASA-N 1 0 291.288 3.191 50 0 CGAARO CCN(CC)CC[N@H+](CC)C[C@@H](C)c1ccccc1 ZINC000022027657 397605388 /nfs/dbraw/zinc/60/53/88/397605388.db2.gz VZJZKLRJIYJONJ-MRXNPFEDSA-N 1 0 262.441 3.454 50 0 CGAARO C[C@H](NCCC[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000094826225 397641910 /nfs/dbraw/zinc/64/19/10/397641910.db2.gz NGULXTPXNKFWCE-LBPRGKRZSA-N 1 0 268.351 3.101 50 0 CGAARO C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000262302878 286822367 /nfs/dbraw/zinc/82/23/67/286822367.db2.gz BABMCIBXBPIBSJ-GUYCJALGSA-N 1 0 282.387 3.098 50 0 CGAARO CCCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004749957 170011346 /nfs/dbraw/zinc/01/13/46/170011346.db2.gz JIRTTYMRXHJBOX-UHFFFAOYSA-N 1 0 288.435 3.348 50 0 CGAARO Cc1cc(O)cc(C)c1C(=[NH2+])c1ccc(N(C)C)cc1 ZINC000004773356 170014427 /nfs/dbraw/zinc/01/44/27/170014427.db2.gz SZCLXUWMAMRHKN-UHFFFAOYSA-N 1 0 268.360 3.491 50 0 CGAARO c1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1 ZINC000004813832 170022037 /nfs/dbraw/zinc/02/20/37/170022037.db2.gz JXLIICORIOXWDU-UHFFFAOYSA-N 1 0 257.337 3.159 50 0 CGAARO CCOc1cc(C[NH2+]CC(C)C)c(Cl)cc1OC ZINC000004840486 170027727 /nfs/dbraw/zinc/02/77/27/170027727.db2.gz KUCCWNGZSHZPFJ-UHFFFAOYSA-N 1 0 271.788 3.493 50 0 CGAARO OCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000004915295 170040705 /nfs/dbraw/zinc/04/07/05/170040705.db2.gz BAWRMFFOXIGBQM-UHFFFAOYSA-N 1 0 281.399 3.213 50 0 CGAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004989186 170049969 /nfs/dbraw/zinc/04/99/69/170049969.db2.gz AJOBIHBUWYBCQT-MRXNPFEDSA-N 1 0 272.436 3.383 50 0 CGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000006556250 170212614 /nfs/dbraw/zinc/21/26/14/170212614.db2.gz VBRPHTQWMPRTIL-VNHYZAJKSA-N 1 0 297.826 3.343 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000006639094 170221193 /nfs/dbraw/zinc/22/11/93/170221193.db2.gz IOUFZQNYNKSRPC-UHFFFAOYSA-N 1 0 299.212 3.166 50 0 CGAARO CC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717953 170349456 /nfs/dbraw/zinc/34/94/56/170349456.db2.gz HGSZRMAMORCBFH-UHFFFAOYSA-N 1 0 298.386 3.437 50 0 CGAARO C[NH+](C)Cc1ccccc1CNc1ncnc2ccsc21 ZINC000009415870 170376077 /nfs/dbraw/zinc/37/60/77/170376077.db2.gz OLACVDQHHNGENA-UHFFFAOYSA-N 1 0 298.415 3.365 50 0 CGAARO C[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000009458337 170377180 /nfs/dbraw/zinc/37/71/80/170377180.db2.gz UYXDSANNXWWKSU-LBPRGKRZSA-N 1 0 254.333 3.219 50 0 CGAARO CC1CC[NH+](Cc2ccc3nc(N)sc3c2)CC1 ZINC000011850582 170447838 /nfs/dbraw/zinc/44/78/38/170447838.db2.gz BQVWQEQSRPRXJR-UHFFFAOYSA-N 1 0 261.394 3.110 50 0 CGAARO C(COC1CCCCC1)[NH2+]CCOC1CCCCC1 ZINC000020160544 171039787 /nfs/dbraw/zinc/03/97/87/171039787.db2.gz SHZLSLYLWHXVRS-UHFFFAOYSA-N 1 0 269.429 3.275 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000020419056 171183728 /nfs/dbraw/zinc/18/37/28/171183728.db2.gz CEIMNJLAYFXAQO-LRDDRELGSA-N 1 0 259.324 3.037 50 0 CGAARO CC[C@H](C[N@@H+]1CCN(C)[C@@H](CC)C1)c1ccccc1 ZINC000020452274 171207709 /nfs/dbraw/zinc/20/77/09/171207709.db2.gz GTWXZBYEBGGHBI-WBVHZDCISA-N 1 0 260.425 3.206 50 0 CGAARO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(C)c1 ZINC000020563967 171253114 /nfs/dbraw/zinc/25/31/14/171253114.db2.gz ZBMJDYXUBAYFRZ-HNNXBMFYSA-N 1 0 287.407 3.005 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1c(F)cccc1Cl ZINC000022455271 171388414 /nfs/dbraw/zinc/38/84/14/171388414.db2.gz SMVYVDHAFRIEQF-UHFFFAOYSA-N 1 0 272.795 3.253 50 0 CGAARO CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000035151217 172014410 /nfs/dbraw/zinc/01/44/10/172014410.db2.gz UJFXSUZYBBBRDS-JTQLQIEISA-N 1 0 272.186 3.136 50 0 CGAARO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000035254686 172083991 /nfs/dbraw/zinc/08/39/91/172083991.db2.gz SLLVNOVCHGBKML-AWEZNQCLSA-N 1 0 281.359 3.186 50 0 CGAARO CCC[NH+](CCC)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000040007900 174182381 /nfs/dbraw/zinc/18/23/81/174182381.db2.gz CLQJVPXJGZOHGA-UHFFFAOYSA-N 1 0 281.400 3.033 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(Cl)c1 ZINC000040145627 174195102 /nfs/dbraw/zinc/19/51/02/174195102.db2.gz XNRCLJYBYJIUID-LBPRGKRZSA-N 1 0 295.814 3.336 50 0 CGAARO C[N@H+](CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000040477307 174282827 /nfs/dbraw/zinc/28/28/27/174282827.db2.gz JNSZTMBALZRLNI-UHFFFAOYSA-N 1 0 266.772 3.153 50 0 CGAARO c1ccc(CCN2CC[C@@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000040671128 174368828 /nfs/dbraw/zinc/36/88/28/174368828.db2.gz HOYHDFUODJAJII-LJQANCHMSA-N 1 0 280.415 3.093 50 0 CGAARO CSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046858495 175399674 /nfs/dbraw/zinc/39/96/74/175399674.db2.gz BLEHRYUIIPXAJS-CYBMUJFWSA-N 1 0 292.448 3.013 50 0 CGAARO [NH3+]CC(=O)Nc1ccccc1-c1cc2ccccc2s1 ZINC000067821626 175795445 /nfs/dbraw/zinc/79/54/45/175795445.db2.gz HUABAMMDVGLRNO-UHFFFAOYSA-N 1 0 282.368 3.466 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000071212487 176084459 /nfs/dbraw/zinc/08/44/59/176084459.db2.gz FGCKBTSSXGCTNM-SECBINFHSA-N 1 0 276.361 3.031 50 0 CGAARO c1cnn(Cc2ccc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)cc2)c1 ZINC000071764841 176262026 /nfs/dbraw/zinc/26/20/26/176262026.db2.gz OIWZCHOBOXMKJB-KDURUIRLSA-N 1 0 293.414 3.329 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071765328 176262073 /nfs/dbraw/zinc/26/20/73/176262073.db2.gz ZNYABKCLIVVSEB-OAHLLOKOSA-N 1 0 288.439 3.339 50 0 CGAARO CCC(CC)(CNC(C)=O)[NH2+][C@H](C)c1ccccc1 ZINC000071898107 176293187 /nfs/dbraw/zinc/29/31/87/176293187.db2.gz NXYFLNIAKPGHNZ-CYBMUJFWSA-N 1 0 262.397 3.032 50 0 CGAARO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000071915666 176299595 /nfs/dbraw/zinc/29/95/95/176299595.db2.gz OSBJGWCSQFXKRI-HOTGVXAUSA-N 1 0 288.370 3.205 50 0 CGAARO CCC[C@](C)(CO)[NH2+]Cc1csc(Br)c1 ZINC000072289928 176361202 /nfs/dbraw/zinc/36/12/02/176361202.db2.gz VBDZKTKSRMTPOV-LLVKDONJSA-N 1 0 292.242 3.151 50 0 CGAARO C[N@@H+]1CCC[C@H](Cc2cccc(Br)n2)CC1 ZINC000072343816 176371907 /nfs/dbraw/zinc/37/19/07/176371907.db2.gz CSVYXRDUGFGVCF-NSHDSACASA-N 1 0 283.213 3.119 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](Cc2nccnc2Cl)CC1 ZINC000072343851 176371962 /nfs/dbraw/zinc/37/19/62/176371962.db2.gz IDBDUZCSPKGXML-LBPRGKRZSA-N 1 0 267.804 3.183 50 0 CGAARO Clc1ccc(CCC[NH+]2CCN(C3CC3)CC2)cc1 ZINC000077271800 177247425 /nfs/dbraw/zinc/24/74/25/177247425.db2.gz LVFFIGUIODNJRW-UHFFFAOYSA-N 1 0 278.827 3.053 50 0 CGAARO COCCC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000077287740 177249525 /nfs/dbraw/zinc/24/95/25/177249525.db2.gz BUWWRHBVGTWKSK-AWEZNQCLSA-N 1 0 295.398 3.473 50 0 CGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000077303820 177250760 /nfs/dbraw/zinc/25/07/60/177250760.db2.gz FMVJXBOFGPOWEK-QGZVFWFLSA-N 1 0 281.403 3.040 50 0 CGAARO C[C@@H]([NH3+])c1cccc(-c2ccnc3c2ccn3C)c1 ZINC000077343512 177254433 /nfs/dbraw/zinc/25/44/33/177254433.db2.gz CYCSEQXTEGMAQQ-LLVKDONJSA-N 1 0 251.333 3.260 50 0 CGAARO CCCn1ncc(C[N@@H+]2CCCC[C@H]2CCCOC)c1C ZINC000077564079 177281113 /nfs/dbraw/zinc/28/11/13/177281113.db2.gz NRDOTYMERRYNNO-KRWDZBQOSA-N 1 0 293.455 3.383 50 0 CGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2cccc(F)c2)cc1 ZINC000078411697 177339443 /nfs/dbraw/zinc/33/94/43/177339443.db2.gz ZEBVQYGZIKHZGI-UHFFFAOYSA-N 1 0 286.350 3.116 50 0 CGAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000049886830 416476365 /nfs/dbraw/zinc/47/63/65/416476365.db2.gz UQNUKBWETKAFLC-QGZVFWFLSA-N 1 0 289.325 3.057 50 0 CGAARO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2)c1 ZINC000048681409 416457678 /nfs/dbraw/zinc/45/76/78/416457678.db2.gz BQLFFKIDUXHNIT-UHFFFAOYSA-N 1 0 293.370 3.375 50 0 CGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000685939663 544109911 /nfs/dbraw/zinc/10/99/11/544109911.db2.gz BASBTHJSDCVHTO-LEWSCRJBSA-N 1 0 281.396 3.113 50 0 CGAARO C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000013669933 260074931 /nfs/dbraw/zinc/07/49/31/260074931.db2.gz APPLKGQVARMUQH-HNNXBMFYSA-N 1 0 286.419 3.155 50 0 CGAARO CCC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCC1 ZINC000322353487 270093537 /nfs/dbraw/zinc/09/35/37/270093537.db2.gz FDXPSEVHMKDAPB-INIZCTEOSA-N 1 0 295.448 3.149 50 0 CGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529530321 270182513 /nfs/dbraw/zinc/18/25/13/270182513.db2.gz CZQQQWBORZFEGD-NSHDSACASA-N 1 0 293.361 3.368 50 0 CGAARO C[C@H]1CC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000757181 274569999 /nfs/dbraw/zinc/56/99/99/274569999.db2.gz MVZYFQAJTIFKAW-KBPBESRZSA-N 1 0 262.372 3.136 50 0 CGAARO Cc1ccc2[nH]nc(-c3cccc4c3CC[NH2+]C4)c2c1 ZINC000071638857 274768601 /nfs/dbraw/zinc/76/86/01/274768601.db2.gz CHBGQUYHXATEDY-UHFFFAOYSA-N 1 0 263.344 3.184 50 0 CGAARO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000021998153 275535917 /nfs/dbraw/zinc/53/59/17/275535917.db2.gz RZVLVYYINZOWAJ-HZPDHXFCSA-N 1 0 261.409 3.377 50 0 CGAARO CC1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000038638676 276199183 /nfs/dbraw/zinc/19/91/83/276199183.db2.gz PGPDBGFJPZHVTI-AWEZNQCLSA-N 1 0 252.789 3.072 50 0 CGAARO CN1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000097037718 277030661 /nfs/dbraw/zinc/03/06/61/277030661.db2.gz RMIUPMWJCPNIEQ-UHFFFAOYSA-N 1 0 264.800 3.013 50 0 CGAARO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCSCC2)CCO1 ZINC000336593497 277244149 /nfs/dbraw/zinc/24/41/49/277244149.db2.gz ZWEIHFQXCCNZTD-OLZOCXBDSA-N 1 0 257.443 3.065 50 0 CGAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000000246408 277268187 /nfs/dbraw/zinc/26/81/87/277268187.db2.gz ZFVBVEADHVLSRL-MRXNPFEDSA-N 1 0 291.435 3.210 50 0 CGAARO COc1c(F)cc(-c2cccc3c2CC[NH2+]C3)cc1F ZINC000071708115 277364156 /nfs/dbraw/zinc/36/41/56/277364156.db2.gz BAGBHTIMXOPSOG-UHFFFAOYSA-N 1 0 275.298 3.286 50 0 CGAARO CC1(C)CC(NC(=S)NC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000009601523 278191135 /nfs/dbraw/zinc/19/11/35/278191135.db2.gz TYTDUOBGRQZZGV-UHFFFAOYSA-N 1 0 297.512 3.092 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])c2ccccc21 ZINC000004240563 278389957 /nfs/dbraw/zinc/38/99/57/278389957.db2.gz ZSFIRJQRHJSLSZ-GFCCVEGCSA-N 1 0 262.353 3.222 50 0 CGAARO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCCc2occc21 ZINC000170088917 278391068 /nfs/dbraw/zinc/39/10/68/278391068.db2.gz HISUJKSCOSGBHZ-DGCLKSJQSA-N 1 0 251.370 3.044 50 0 CGAARO CC[NH+](CC)CCCNCc1ccc(Cl)cc1 ZINC000002933158 279099966 /nfs/dbraw/zinc/09/99/66/279099966.db2.gz FTIYRWFCGLICAC-UHFFFAOYSA-N 1 0 254.805 3.162 50 0 CGAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2sccc2c1 ZINC000262762129 279418004 /nfs/dbraw/zinc/41/80/04/279418004.db2.gz QURREHYUOWPQQC-SMDDNHRTSA-N 1 0 288.416 3.243 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000000317183 279987142 /nfs/dbraw/zinc/98/71/42/279987142.db2.gz WLCZCODIFJSGEQ-HOTGVXAUSA-N 1 0 287.451 3.024 50 0 CGAARO Cc1c(-c2ccc(C[NH+](C)C)cc2)c(C(F)(F)F)nn1C ZINC000096153567 280195316 /nfs/dbraw/zinc/19/53/16/280195316.db2.gz JNEBEDJGVPHKGE-UHFFFAOYSA-N 1 0 297.324 3.476 50 0 CGAARO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249399821 280747684 /nfs/dbraw/zinc/74/76/84/280747684.db2.gz UQNYWAMMVLXULL-YFKTTZPYSA-N 1 0 294.361 3.000 50 0 CGAARO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038526549 295264666 /nfs/dbraw/zinc/26/46/66/295264666.db2.gz CJSVPNMXGOFFPB-CQSZACIVSA-N 1 0 252.789 3.216 50 0 CGAARO C[C@H](C[NH+](C)C)C(O)(c1ccccc1)c1ccccc1 ZINC000000336780 298497465 /nfs/dbraw/zinc/49/74/65/298497465.db2.gz IFCVOBDIZQICIA-OAHLLOKOSA-N 1 0 269.388 3.120 50 0 in-vitro CGAARO Cc1cc(OC[C@H](O)C[NH+]2CCCCC2)ccc1C(C)C ZINC000005023392 301377846 /nfs/dbraw/zinc/37/78/46/301377846.db2.gz XFSZKPZVUSMQQK-MRXNPFEDSA-N 1 0 291.435 3.344 50 0 CGAARO C[C@H](c1ccc(-c2cnn(C)c2)cc1)[NH+]1CCCC1 ZINC000534585046 328315084 /nfs/dbraw/zinc/31/50/84/328315084.db2.gz ZOLZPXVMFVCLTJ-CYBMUJFWSA-N 1 0 255.365 3.244 50 0 CGAARO CCCc1nc(C[NH2+][C@H](C)Cn2ccnc2CC)cs1 ZINC000534644179 328329863 /nfs/dbraw/zinc/32/98/63/328329863.db2.gz OETDGNJGLKWDBK-GFCCVEGCSA-N 1 0 292.452 3.033 50 0 CGAARO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCCC2)cc1Cl ZINC000004958113 326813538 /nfs/dbraw/zinc/81/35/38/326813538.db2.gz AGDCXUSKFKYVQB-NSHDSACASA-N 1 0 266.772 3.071 50 0 CGAARO C[C@@H](C[NH2+]Cc1ccccc1)N1CCc2ccccc2C1 ZINC000237380731 333379144 /nfs/dbraw/zinc/37/91/44/333379144.db2.gz NHQAKGZSQPQMHV-INIZCTEOSA-N 1 0 280.415 3.223 50 0 CGAARO CC(C)[NH2+]Cc1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000050479160 519726011 /nfs/dbraw/zinc/72/60/11/519726011.db2.gz FBFLJOWEZDHDPD-UHFFFAOYSA-N 1 0 294.196 3.337 50 0 CGAARO COc1c(C[NH2+][C@H](C)c2cc(C)sc2C)c(C)nn1C ZINC000058393377 521834274 /nfs/dbraw/zinc/83/42/74/521834274.db2.gz YRBOUFQDCPIPLK-SNVBAGLBSA-N 1 0 293.436 3.266 50 0 CGAARO C[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000062186126 524728035 /nfs/dbraw/zinc/72/80/35/524728035.db2.gz GAINZRFXVQNBJZ-QAPCUYQASA-N 1 0 269.388 3.115 50 0 CGAARO Fc1cc(Br)cc(OCC[NH+]2CCCC2)c1 ZINC000157267270 526294019 /nfs/dbraw/zinc/29/40/19/526294019.db2.gz RAHHOOGRJUJYAI-UHFFFAOYSA-N 1 0 288.160 3.063 50 0 CGAARO O[C@H](C[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1)c1ccccc1 ZINC000242191380 526294166 /nfs/dbraw/zinc/29/41/66/526294166.db2.gz XFBWOKUIKLDXNF-KZNAEPCWSA-N 1 0 289.419 3.144 50 0 CGAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084284633 566883466 /nfs/dbraw/zinc/88/34/66/566883466.db2.gz XOEFIJSHGOGLDN-HNNXBMFYSA-N 1 0 298.434 3.243 50 0 CGAARO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C\SC)cc1 ZINC000104270180 617658341 /nfs/dbraw/zinc/65/83/41/617658341.db2.gz DWFSADTVLPSOHQ-KHPPLWFESA-N 1 0 292.448 3.021 50 0 CGAARO CCC[N@@H+](Cc1sccc1C1OCCO1)CC1CC1 ZINC000888098073 619260164 /nfs/dbraw/zinc/26/01/64/619260164.db2.gz YWMIHVSXIXLBLC-UHFFFAOYSA-N 1 0 281.421 3.416 50 0 CGAARO C[C@@H](C[N@@H+]1CCC[C@H](c2ccccc2)C1)n1ccnc1 ZINC000199821149 623102151 /nfs/dbraw/zinc/10/21/51/623102151.db2.gz ISLITEYWWXXSMI-RDJZCZTQSA-N 1 0 269.392 3.324 50 0 CGAARO COC[C@H]([NH2+]Cc1oc2ccc(F)cc2c1C)C1CC1 ZINC000154315957 624250521 /nfs/dbraw/zinc/25/05/21/624250521.db2.gz DHIOGDDKHGAYIY-AWEZNQCLSA-N 1 0 277.339 3.395 50 0 CGAARO OCC[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000863983431 629721222 /nfs/dbraw/zinc/72/12/22/629721222.db2.gz HTHGNKODLXWZRK-XOYOTBSWSA-N 1 0 271.404 3.097 50 0 CGAARO OCC[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000863983429 629721589 /nfs/dbraw/zinc/72/15/89/629721589.db2.gz HTHGNKODLXWZRK-HPBDAGMYSA-N 1 0 271.404 3.097 50 0 CGAARO FC(F)(F)c1c[nH+]ccc1N1CC[C@@H](c2ccccn2)C1 ZINC000865755459 632879197 /nfs/dbraw/zinc/87/91/97/632879197.db2.gz WMDRCEGTVJXCAB-LLVKDONJSA-N 1 0 293.292 3.489 50 0 CGAARO Clc1ccc(CSC2=NN/C(=C3/C=CC=[NH+]3)O2)cc1 ZINC000105270681 638169307 /nfs/dbraw/zinc/16/93/07/638169307.db2.gz VHODHLMPJIXURY-VAWYXSNFSA-N 1 0 291.763 3.274 50 0 CGAARO Fc1ccc(-c2n[nH]c3c2C[N@H+](CC2CC2)CC3)cc1F ZINC000015065263 640972749 /nfs/dbraw/zinc/97/27/49/640972749.db2.gz HGPKZRMJIMASTJ-UHFFFAOYSA-N 1 0 289.329 3.123 50 0 CGAARO Cc1cc(NCC2CC[NH+](C)CC2)nc2ccc(F)cc12 ZINC000823759315 800468913 /nfs/dbraw/zinc/46/89/13/800468913.db2.gz CVJNZPUOBNJFLU-UHFFFAOYSA-N 1 0 287.382 3.436 50 0 CGAARO CCCN(Cc1cnc(OC)nc1)Cc1ccccc1F ZINC000952871730 800685967 /nfs/dbraw/zinc/68/59/67/800685967.db2.gz CSCXWTMCYSIKSQ-UHFFFAOYSA-N 1 0 289.354 3.037 50 0 CGAARO O=C(N[C@H]1C=CCCC1)C1([NH+]2CCCC2)CCCCC1 ZINC000952870205 800686172 /nfs/dbraw/zinc/68/61/72/800686172.db2.gz XRRHNRRLDGHZKR-HNNXBMFYSA-N 1 0 276.424 3.010 50 0 CGAARO CC1(C)C[C@@H](C[NH2+]Cc2ccccc2-n2ccnc2)CCO1 ZINC000952872485 800686326 /nfs/dbraw/zinc/68/63/26/800686326.db2.gz OKMSVPUURWOEIJ-HNNXBMFYSA-N 1 0 299.418 3.167 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCCC2)c(Cl)c1 ZINC000005538847 928126111 /nfs/dbraw/zinc/12/61/11/928126111.db2.gz AIQFGHKESOSEAX-UHFFFAOYSA-N 1 0 283.799 3.140 50 0 CGAARO C[C@@H](NC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000584907136 928165758 /nfs/dbraw/zinc/16/57/58/928165758.db2.gz YGFMNSGAXCMTMW-CYBMUJFWSA-N 1 0 285.391 3.086 50 0 CGAARO Cc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001506397520 937989724 /nfs/dbraw/zinc/98/97/24/937989724.db2.gz NZLFQYCFYQCMJY-OAHLLOKOSA-N 1 0 269.392 3.108 50 0 CGAARO COc1ccc2c(C)cc(N[C@H]3CCC[N@H+](C)C3)nc2c1 ZINC001506418440 937989909 /nfs/dbraw/zinc/98/99/09/937989909.db2.gz YEZQSAAMDMWISC-ZDUSSCGKSA-N 1 0 285.391 3.058 50 0 CGAARO Cc1cccc(NC(=O)C[N@@H+](C)C2CCCCC2)c1 ZINC000007786526 230370073 /nfs/dbraw/zinc/37/00/73/230370073.db2.gz ZEWQAWSSWPXDFB-UHFFFAOYSA-N 1 0 260.381 3.198 50 0 CGAARO c1c2ccccc2oc1[C@@H]([NH2+][C@H]1CCOC1)C1CC1 ZINC000097016923 230386336 /nfs/dbraw/zinc/38/63/36/230386336.db2.gz DGGZQAJMRKZKSN-BBRMVZONSA-N 1 0 257.333 3.262 50 0 CGAARO C[C@H](C(=O)N1CCCCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000130109616 230394818 /nfs/dbraw/zinc/39/48/18/230394818.db2.gz MWUHAGJCIKJPKH-HOCLYGCPSA-N 1 0 274.408 3.115 50 0 CGAARO Cc1cc(N(C)Cc2ccc(-n3cccn3)cc2)cc[nH+]1 ZINC000095524161 185004110 /nfs/dbraw/zinc/00/41/10/185004110.db2.gz DDBXIWNDANNYGN-UHFFFAOYSA-N 1 0 278.359 3.212 50 0 CGAARO Cc1nc2ccccc2nc1C[N@@H+]1CCc2ccccc2C1 ZINC000016265204 282084728 /nfs/dbraw/zinc/08/47/28/282084728.db2.gz CWIIWTSYXRBJOQ-UHFFFAOYSA-N 1 0 289.382 3.497 50 0 CGAARO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968195 185046697 /nfs/dbraw/zinc/04/66/97/185046697.db2.gz AVEFFXMGLNOKQZ-OLZOCXBDSA-N 1 0 292.448 3.216 50 0 CGAARO CC[C@H](C(=O)Nc1ccc(O)c(-c2ccccc2)c1)[NH+](C)C ZINC000095973982 185049708 /nfs/dbraw/zinc/04/97/08/185049708.db2.gz GLJXQLAYOBJWFB-MRXNPFEDSA-N 1 0 298.386 3.338 50 0 CGAARO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(-c2cccnc2)cc1 ZINC000095985866 185056071 /nfs/dbraw/zinc/05/60/71/185056071.db2.gz MPZDCPFQIFFWDX-OAHLLOKOSA-N 1 0 292.386 3.296 50 0 CGAARO C[C@H](c1cccc(-c2ccc3nc[nH]c(=O)c3c2)c1)[NH+](C)C ZINC000096142311 185106471 /nfs/dbraw/zinc/10/64/71/185106471.db2.gz RLUNXGBQCZAZPC-GFCCVEGCSA-N 1 0 293.370 3.213 50 0 CGAARO C[C@@H](c1cccc(-c2ccc3nc[nH]c(=O)c3c2)c1)[NH+](C)C ZINC000096142310 185106752 /nfs/dbraw/zinc/10/67/52/185106752.db2.gz RLUNXGBQCZAZPC-LBPRGKRZSA-N 1 0 293.370 3.213 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623356203 349786914 /nfs/dbraw/zinc/78/69/14/349786914.db2.gz CKXZUKQQUSLJRO-UHFFFAOYSA-N 1 0 275.299 3.088 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)o1 ZINC000097016884 529706678 /nfs/dbraw/zinc/70/66/78/529706678.db2.gz TUZHPILDFNZIBB-WBMJQRKESA-N 1 0 289.375 3.235 50 0 CGAARO CN(C)c1ccccc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000097805611 529793839 /nfs/dbraw/zinc/79/38/39/529793839.db2.gz SCRCYZUCTQEULT-UHFFFAOYSA-N 1 0 281.403 3.410 50 0 CGAARO C[C@H](C[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12)c1ccccc1 ZINC000004031367 344859436 /nfs/dbraw/zinc/85/94/36/344859436.db2.gz HIYCDSVCTRYFJH-UBDQQSCGSA-N 1 0 273.420 3.463 50 0 CGAARO CC[NH+](CC)CCOC(=O)Nc1c(C)cccc1C ZINC000019893281 344890715 /nfs/dbraw/zinc/89/07/15/344890715.db2.gz BMBWEBQERXLTJZ-UHFFFAOYSA-N 1 0 264.369 3.194 50 0 CGAARO Cc1cc(NCC[NH+](C)C)nc2cc(Cl)ccc12 ZINC000023634164 344898344 /nfs/dbraw/zinc/89/83/44/344898344.db2.gz QQMOLGQBUAOXHS-UHFFFAOYSA-N 1 0 263.772 3.170 50 0 CGAARO c1ccc2c(c1)C=Cc1ccccc1C2N1CC[NH2+]CC1 ZINC000034123901 344937837 /nfs/dbraw/zinc/93/78/37/344937837.db2.gz YLXAHROLEJLOKV-UHFFFAOYSA-N 1 0 276.383 3.165 50 0 CGAARO C(=C/c1ccccc1)\C[NH2+]Cc1ccc(-n2cccn2)nc1 ZINC000071924529 345405790 /nfs/dbraw/zinc/40/57/90/345405790.db2.gz RQVZDBSOCGRLHL-XBXARRHUSA-N 1 0 290.370 3.070 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccsc1 ZINC000072298504 345409212 /nfs/dbraw/zinc/40/92/12/345409212.db2.gz WYKLNBHMIHZWQH-CYBMUJFWSA-N 1 0 261.394 3.132 50 0 CGAARO O=c1cc(C[NH+]2CCCCCCC2)nc(-c2ccccc2)[nH]1 ZINC000075874137 345526010 /nfs/dbraw/zinc/52/60/10/345526010.db2.gz UJUICHIELWJPDC-UHFFFAOYSA-N 1 0 297.402 3.203 50 0 CGAARO CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000076042615 345531686 /nfs/dbraw/zinc/53/16/86/345531686.db2.gz AFJUGXMTMIBMCE-GOEBONIOSA-N 1 0 293.455 3.140 50 0 CGAARO C[C@H]([C@H](C)[NH2+]CCCc1nc2ccccc2o1)n1cccn1 ZINC000075606637 345515026 /nfs/dbraw/zinc/51/50/26/345515026.db2.gz SQDACDQRGJENLW-UONOGXRCSA-N 1 0 298.390 3.196 50 0 CGAARO CN(Cc1cccs1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000095427963 345900030 /nfs/dbraw/zinc/90/00/30/345900030.db2.gz HTKAXMDERDMUPQ-KGLIPLIRSA-N 1 0 280.437 3.004 50 0 CGAARO CCOC(=O)[C@]1(c2ccccc2)CCC=C(C)[C@H]1[NH+](C)C ZINC000096028033 345901788 /nfs/dbraw/zinc/90/17/88/345901788.db2.gz ACMGZYOBXCPVDH-AEFFLSMTSA-N 1 0 287.403 3.158 50 0 CGAARO CCCC[NH2+]C[C@@H]1COc2c(C)c(C)cc(C)c2C1=O ZINC000096026852 345901889 /nfs/dbraw/zinc/90/18/89/345901889.db2.gz FOORIMSLULQDKO-CQSZACIVSA-N 1 0 275.392 3.193 50 0 CGAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCSCC1 ZINC000170057699 346193429 /nfs/dbraw/zinc/19/34/29/346193429.db2.gz QTHQSRZSGQMOFL-ABAIWWIYSA-N 1 0 283.412 3.123 50 0 CGAARO COc1ncccc1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000170591993 346193966 /nfs/dbraw/zinc/19/39/66/346193966.db2.gz QOQVHAKZOIODLQ-ZBFHGGJFSA-N 1 0 297.402 3.338 50 0 CGAARO O=C(OCc1ccccc1F)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000170609449 346195039 /nfs/dbraw/zinc/19/50/39/346195039.db2.gz CUHDTNVLUVLMKZ-MRXNPFEDSA-N 1 0 291.366 3.276 50 0 CGAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000189343579 346263269 /nfs/dbraw/zinc/26/32/69/346263269.db2.gz QYLGLRFXCKSFRH-OOCWMUITSA-N 1 0 263.303 3.017 50 0 CGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584886164 346721510 /nfs/dbraw/zinc/72/15/10/346721510.db2.gz YEAXLNIZYUYMET-CQSZACIVSA-N 1 0 288.435 3.267 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@@H]1CCCOC1 ZINC000584892086 346722304 /nfs/dbraw/zinc/72/23/04/346722304.db2.gz MBGBXUYEGWWQKK-CYBMUJFWSA-N 1 0 292.810 3.441 50 0 CGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)C1CC=CC1 ZINC000584896217 346722742 /nfs/dbraw/zinc/72/27/42/346722742.db2.gz LQSYGSAODYTTIF-GOSISDBHSA-N 1 0 298.430 3.296 50 0 CGAARO c1sc(CC[NH2+][C@@H]2CCCOC2)nc1-c1ccccc1 ZINC000584897723 346722975 /nfs/dbraw/zinc/72/29/75/346722975.db2.gz WBOKMFXZEXZHNL-CQSZACIVSA-N 1 0 288.416 3.121 50 0 CGAARO CCSC[C@H](C)[NH2+]CCc1nc2ccccc2o1 ZINC000584900621 346723790 /nfs/dbraw/zinc/72/37/90/346723790.db2.gz QUAXSJFVXDGRNR-NSHDSACASA-N 1 0 264.394 3.102 50 0 CGAARO Cc1ccc(C2CC([NH2+]C[C@H](CO)c3cccnc3)C2)cc1 ZINC000367904672 234259270 /nfs/dbraw/zinc/25/92/70/234259270.db2.gz QRTFSRMSBZIRQC-JLAWEPINSA-N 1 0 296.414 3.002 50 0 CGAARO Fc1cccc([C@@H]2CC[C@H]([NH2+]Cc3csnn3)C2)c1 ZINC000253428046 283017763 /nfs/dbraw/zinc/01/77/63/283017763.db2.gz GHONREJNYUWRHY-YPMHNXCESA-N 1 0 277.368 3.103 50 0 CGAARO c1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)nc1 ZINC000275705902 193109717 /nfs/dbraw/zinc/10/97/17/193109717.db2.gz QYDLSGVMLWLGHY-AWEZNQCLSA-N 1 0 284.363 3.211 50 0 CGAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000000235938 368320179 /nfs/dbraw/zinc/32/01/79/368320179.db2.gz OFWRWKIOGHBYNK-HZPDHXFCSA-N 1 0 273.376 3.108 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000000004353 368270042 /nfs/dbraw/zinc/27/00/42/368270042.db2.gz DBHPVKNFKBKJCE-MRXNPFEDSA-N 1 0 299.414 3.481 50 0 in-man CGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000000237560 368322006 /nfs/dbraw/zinc/32/20/06/368322006.db2.gz QGQLKOUZWNKRDE-KRWDZBQOSA-N 1 0 288.435 3.075 50 0 CGAARO Cc1ccccc1CN1c2ccccc2N2CC[NH+]=C12 ZINC000000447908 368368948 /nfs/dbraw/zinc/36/89/48/368368948.db2.gz OEORBNXVHHAFKX-UHFFFAOYSA-N 1 0 263.344 3.191 50 0 CGAARO CC(C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000000455501 368370301 /nfs/dbraw/zinc/37/03/01/368370301.db2.gz NSCBKDUHWUVMAS-UHFFFAOYSA-N 1 0 294.826 3.077 50 0 CGAARO Cc1ccccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000000256677 368325348 /nfs/dbraw/zinc/32/53/48/368325348.db2.gz CTPREXNQGVNSHE-UHFFFAOYSA-N 1 0 260.381 3.200 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000255013 368325600 /nfs/dbraw/zinc/32/56/00/368325600.db2.gz ZVZSXJQBIPCAHD-VXGBXAGGSA-N 1 0 296.361 3.271 50 0 CGAARO C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518486 368382728 /nfs/dbraw/zinc/38/27/28/368382728.db2.gz TZRDBHMKTWECOV-INIZCTEOSA-N 1 0 253.349 3.300 50 0 biogenic,in-vitro CGAARO CCCCCOc1ccc(CSC(N)=[NH2+])cc1 ZINC000001820468 368439200 /nfs/dbraw/zinc/43/92/00/368439200.db2.gz GWQPPHVDGYSKRY-UHFFFAOYSA-N 1 0 252.383 3.382 50 0 CGAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001781572 368439317 /nfs/dbraw/zinc/43/93/17/368439317.db2.gz ZCVJWCYLHNDEFU-UHFFFAOYSA-N 1 0 296.414 3.425 50 0 CGAARO O=C(NCCC[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000002468648 368456051 /nfs/dbraw/zinc/45/60/51/368456051.db2.gz MHJAJFKAOWXGFR-UHFFFAOYSA-N 1 0 297.402 3.447 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000003291435 368500788 /nfs/dbraw/zinc/50/07/88/368500788.db2.gz UMYUOJPPUCNLQB-VXGBXAGGSA-N 1 0 297.345 3.449 50 0 CGAARO Cc1cc(OCCOCC[NH+](C)C)cc(C(C)C)c1 ZINC000002821937 368479787 /nfs/dbraw/zinc/47/97/87/368479787.db2.gz XPDDVJYDFYJVEX-UHFFFAOYSA-N 1 0 265.397 3.075 50 0 CGAARO COc1cccc(OC)c1OCCC[N@@H+]1CCC[C@H](C)C1 ZINC000002822534 368479978 /nfs/dbraw/zinc/47/99/78/368479978.db2.gz HKDQTSCBHMQMJE-AWEZNQCLSA-N 1 0 293.407 3.205 50 0 CGAARO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000003893516 368523330 /nfs/dbraw/zinc/52/33/30/368523330.db2.gz PJSMOWNWLLFUFR-DZGCQCFKSA-N 1 0 297.826 3.263 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccs1 ZINC000004028337 368527332 /nfs/dbraw/zinc/52/73/32/368527332.db2.gz KOUIWNVLIJBKHS-QWHCGFSZSA-N 1 0 279.405 3.169 50 0 biogenic CGAARO COc1ccc(CC[NH2+]CCc2ccccc2)cc1OC ZINC000003607420 368515290 /nfs/dbraw/zinc/51/52/90/368515290.db2.gz KCOKWUVYKBPATN-UHFFFAOYSA-N 1 0 285.387 3.079 50 0 CGAARO CCOCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000004245205 368538436 /nfs/dbraw/zinc/53/84/36/368538436.db2.gz YCLFMLZCRNBUQY-KRWDZBQOSA-N 1 0 270.376 3.187 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000004317303 368543421 /nfs/dbraw/zinc/54/34/21/368543421.db2.gz ABLQPKMXLOVVBU-MJBXVCDLSA-N 1 0 297.826 3.058 50 0 CGAARO C[NH2+]CCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004576595 368551174 /nfs/dbraw/zinc/55/11/74/368551174.db2.gz UBRNVFIXTALUNI-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 in-vitro CGAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000013736429 368664165 /nfs/dbraw/zinc/66/41/65/368664165.db2.gz YAORDQFXLRHICI-UHFFFAOYSA-N 1 0 293.370 3.150 50 0 CGAARO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCC2)cc1Cl ZINC000012223541 368606651 /nfs/dbraw/zinc/60/66/51/368606651.db2.gz NTUZGTSAVUAGHU-LBPRGKRZSA-N 1 0 295.814 3.254 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1)c1ccsc1 ZINC000012348294 368608676 /nfs/dbraw/zinc/60/86/76/368608676.db2.gz AOZUWFVAUGDBLW-CQSZACIVSA-N 1 0 289.404 3.173 50 0 CGAARO CC(C)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012382931 368610882 /nfs/dbraw/zinc/61/08/82/368610882.db2.gz WWIXECRDJYDQRR-UHFFFAOYSA-N 1 0 288.435 3.413 50 0 CGAARO Cc1cc(-n2c(C)cc(C[NH2+]Cc3cccnc3)c2C)no1 ZINC000012542210 368618293 /nfs/dbraw/zinc/61/82/93/368618293.db2.gz FPGOZGUUHXLBEE-UHFFFAOYSA-N 1 0 296.374 3.075 50 0 CGAARO Cc1ccc(NC(=O)C[NH2+]CC2CCCCC2)cc1C ZINC000013323171 368649624 /nfs/dbraw/zinc/64/96/24/368649624.db2.gz OIYJRBNGMMRFQG-UHFFFAOYSA-N 1 0 274.408 3.412 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000013613587 368658380 /nfs/dbraw/zinc/65/83/80/368658380.db2.gz IAUWCJDMNBWOOL-INIZCTEOSA-N 1 0 292.398 3.210 50 0 CGAARO CCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606218 368717513 /nfs/dbraw/zinc/71/75/13/368717513.db2.gz DVGYPNKPWODRAD-UHFFFAOYSA-N 1 0 288.435 3.123 50 0 CGAARO C/C=C(\C)C[N@H+]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000014887112 368685342 /nfs/dbraw/zinc/68/53/42/368685342.db2.gz OLXLPLUAEXZEDQ-CRKCGEKBSA-N 1 0 278.440 3.067 50 0 CGAARO CC(C)(C)c1c[n+](-c2ccccc2)c2n1CCS2 ZINC000017147570 368728916 /nfs/dbraw/zinc/72/89/16/368728916.db2.gz PHWRZAQSVINBKU-UHFFFAOYSA-N 1 0 259.398 3.168 50 0 CGAARO Clc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019788709 368765585 /nfs/dbraw/zinc/76/55/85/368765585.db2.gz XNPQSOOPOAYUJZ-UHFFFAOYSA-N 1 0 278.827 3.400 50 0 CGAARO Cc1cc(CN2CC[C@@H]([NH+](C)C)C2)c2ccc(C)c(C)c2n1 ZINC000019884739 368776222 /nfs/dbraw/zinc/77/62/22/368776222.db2.gz OZSZTPFWRGHDTK-QGZVFWFLSA-N 1 0 297.446 3.296 50 0 CGAARO CC[C@@H](C)[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019359201 368749976 /nfs/dbraw/zinc/74/99/76/368749976.db2.gz WHJLBEVOVNXEKK-CQSZACIVSA-N 1 0 271.408 3.084 50 0 CGAARO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)c2ccccc2)c1 ZINC000023279884 368819002 /nfs/dbraw/zinc/81/90/02/368819002.db2.gz OIVQWFBXVFYLNU-GOSISDBHSA-N 1 0 269.388 3.469 50 0 CGAARO C[C@@H]1C[NH+](CCCSc2ccccc2)C[C@@H](C)O1 ZINC000019989060 368792333 /nfs/dbraw/zinc/79/23/33/368792333.db2.gz OPPRKVAYVFXZIZ-ZIAGYGMSSA-N 1 0 265.422 3.278 50 0 CGAARO Clc1ccccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000028522169 368886546 /nfs/dbraw/zinc/88/65/46/368886546.db2.gz JOFKBFIQSRGYMJ-ZDUSSCGKSA-N 1 0 253.773 3.389 50 0 CGAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000030640844 368904355 /nfs/dbraw/zinc/90/43/55/368904355.db2.gz NIQFYLJPIJCWAQ-CYBMUJFWSA-N 1 0 283.375 3.281 50 0 CGAARO Cc1ccc(CC(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000031232408 368912605 /nfs/dbraw/zinc/91/26/05/368912605.db2.gz KJSGNOJODQRXBC-UHFFFAOYSA-N 1 0 282.387 3.238 50 0 CGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccncc1 ZINC000032739816 368942840 /nfs/dbraw/zinc/94/28/40/368942840.db2.gz BRTOXJIPFUXFSB-UHFFFAOYSA-N 1 0 292.386 3.174 50 0 CGAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036100579 369009441 /nfs/dbraw/zinc/00/94/41/369009441.db2.gz OCKLQGYXCPVBEL-SFHVURJKSA-N 1 0 293.451 3.241 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccsc1 ZINC000036281479 369016198 /nfs/dbraw/zinc/01/61/98/369016198.db2.gz KGVCOFOOAJFOLX-UHFFFAOYSA-N 1 0 260.362 3.110 50 0 CGAARO Cc1cccn2c(=O)cc(C[N@@H+](C)C3CCCCCC3)nc12 ZINC000036392932 369019242 /nfs/dbraw/zinc/01/92/42/369019242.db2.gz WJXGQWILAFNLDU-UHFFFAOYSA-N 1 0 299.418 3.158 50 0 CGAARO CC[NH+](CC)CCNc1nc2ccc(F)cc2s1 ZINC000036657649 369024460 /nfs/dbraw/zinc/02/44/60/369024460.db2.gz VHNNKPONPSBTAB-UHFFFAOYSA-N 1 0 267.373 3.189 50 0 CGAARO Fc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000036961201 369043061 /nfs/dbraw/zinc/04/30/61/369043061.db2.gz PBAAYQSQMNQBJW-UHFFFAOYSA-N 1 0 271.339 3.302 50 0 CGAARO CC(C)=CC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000039987720 369151704 /nfs/dbraw/zinc/15/17/04/369151704.db2.gz CLBGWCNXFXVNPX-UHFFFAOYSA-N 1 0 258.409 3.392 50 0 CGAARO Brc1ccc(COCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773887 369232369 /nfs/dbraw/zinc/23/23/69/369232369.db2.gz GVJFJVMWZYSMLD-GFCCVEGCSA-N 1 0 298.224 3.355 50 0 CGAARO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCCO1 ZINC000042977612 369239085 /nfs/dbraw/zinc/23/90/85/369239085.db2.gz FEMIPMHMOIFTSM-CQSZACIVSA-N 1 0 285.334 3.289 50 0 CGAARO OC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000127693611 370956488 /nfs/dbraw/zinc/95/64/88/370956488.db2.gz PPZRJXYNGINODQ-CYDGBPFRSA-N 1 0 279.346 3.248 50 0 CGAARO c1[nH]c2ccccc2c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000053151307 369479506 /nfs/dbraw/zinc/47/95/06/369479506.db2.gz FDOZNCJWYJMHAG-UHFFFAOYSA-N 1 0 291.398 3.490 50 0 in-vivo CGAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1 ZINC000057327637 369535119 /nfs/dbraw/zinc/53/51/19/369535119.db2.gz JWFYWBDZHMAHSH-GFCCVEGCSA-N 1 0 272.323 3.115 50 0 CGAARO C[NH+](C)CCCNCc1cccc(OCc2ccccc2)c1 ZINC000057364348 369536543 /nfs/dbraw/zinc/53/65/43/369536543.db2.gz CMGSWKQGFNCIMG-UHFFFAOYSA-N 1 0 298.430 3.307 50 0 CGAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cnc(OC)nc1 ZINC000055183287 369513421 /nfs/dbraw/zinc/51/34/21/369513421.db2.gz RPZQFOHPTQOLQX-GFCCVEGCSA-N 1 0 291.420 3.347 50 0 CGAARO CCCCc1cn(C2CC[NH+](C[C@@H](C)CC)CC2)nn1 ZINC000055358236 369514513 /nfs/dbraw/zinc/51/45/13/369514513.db2.gz LBAYBSGXCRIFMR-AWEZNQCLSA-N 1 0 278.444 3.304 50 0 CGAARO COc1cccc(N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000055291849 369514887 /nfs/dbraw/zinc/51/48/87/369514887.db2.gz IFAPVUYOZLSUDX-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO CCc1ccc(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)nc1 ZINC000055327876 369515399 /nfs/dbraw/zinc/51/53/99/369515399.db2.gz MYJKQWDNGHPNFJ-HNNXBMFYSA-N 1 0 283.419 3.410 50 0 CGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC=CCC1 ZINC000057561344 369540248 /nfs/dbraw/zinc/54/02/48/369540248.db2.gz NDFHINISJQLEGO-QGZVFWFLSA-N 1 0 298.430 3.124 50 0 CGAARO Cc1ccsc1[C@H](C[NH2+]C1CCSCC1)N(C)C ZINC000065380839 369671254 /nfs/dbraw/zinc/67/12/54/369671254.db2.gz FEFFLCFFKHHOAB-ZDUSSCGKSA-N 1 0 284.494 3.144 50 0 CGAARO CCc1cc(NCc2ccccn2)nc(N2CCCCC2)[nH+]1 ZINC000065458650 369676846 /nfs/dbraw/zinc/67/68/46/369676846.db2.gz JNJZFAVBQODHBN-UHFFFAOYSA-N 1 0 297.406 3.036 50 0 CGAARO CC[C@@H]1CN(C/C(C)=C/c2ccco2)CC[N@@H+]1C(C)C ZINC000065467199 369677895 /nfs/dbraw/zinc/67/78/95/369677895.db2.gz CLDGWVZNMUUTOI-RBFDBLARSA-N 1 0 276.424 3.488 50 0 CGAARO COc1cccc(C[C@@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000065505013 369680572 /nfs/dbraw/zinc/68/05/72/369680572.db2.gz KWYBFVGSFGVREK-LLVKDONJSA-N 1 0 276.405 3.181 50 0 CGAARO CCNC(=O)c1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1 ZINC000065891211 369686527 /nfs/dbraw/zinc/68/65/27/369686527.db2.gz KWRBLTFQUZWKPU-UHFFFAOYSA-N 1 0 296.414 3.343 50 0 CGAARO Fc1cccc([C@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000069812349 369771897 /nfs/dbraw/zinc/77/18/97/369771897.db2.gz JJMAYSMGRGVODX-HNNXBMFYSA-N 1 0 256.324 3.210 50 0 CGAARO C[C@H](Cn1cccn1)[NH2+]Cc1csc2c1CCCC2 ZINC000067974941 369738852 /nfs/dbraw/zinc/73/88/52/369738852.db2.gz BUKGJYZJUZJKAM-GFCCVEGCSA-N 1 0 275.421 3.002 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460274 369760568 /nfs/dbraw/zinc/76/05/68/369760568.db2.gz NVWCMVPHPUKQHQ-OLZOCXBDSA-N 1 0 296.374 3.022 50 0 CGAARO CC(C)=CC[N@@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000069464156 369762078 /nfs/dbraw/zinc/76/20/78/369762078.db2.gz QBTHPYAIFVWQST-MRXNPFEDSA-N 1 0 260.381 3.029 50 0 CGAARO c1cncc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000069531468 369762911 /nfs/dbraw/zinc/76/29/11/369762911.db2.gz FAZBZAPZZYGVFY-GOSISDBHSA-N 1 0 287.451 3.170 50 0 CGAARO Cc1cccnc1C[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000067713675 369725530 /nfs/dbraw/zinc/72/55/30/369725530.db2.gz XYLOVXZZYDKQHQ-INIZCTEOSA-N 1 0 289.467 3.031 50 0 CGAARO C[N@@H+]1CCC[C@H](CSc2ncnc3ccsc32)C1 ZINC000070009216 369776182 /nfs/dbraw/zinc/77/61/82/369776182.db2.gz GOUQFCVNOGXKOR-JTQLQIEISA-N 1 0 279.434 3.125 50 0 CGAARO COc1ccccc1[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000075940428 369922643 /nfs/dbraw/zinc/92/26/43/369922643.db2.gz QCFMXGMKRGNMDA-KRWDZBQOSA-N 1 0 282.387 3.470 50 0 CGAARO COc1ccc(OC)c([C@@H]2CCN(c3cc[nH+]cc3)C2)c1 ZINC000077386026 369946421 /nfs/dbraw/zinc/94/64/21/369946421.db2.gz KQYYOIMPCUIDRZ-CYBMUJFWSA-N 1 0 284.359 3.093 50 0 CGAARO OCCC[N@H+](Cc1ccncc1)[C@H]1CCCc2ccccc21 ZINC000084581913 370013149 /nfs/dbraw/zinc/01/31/49/370013149.db2.gz RNUDAJSADKQWKO-IBGZPJMESA-N 1 0 296.414 3.344 50 0 CGAARO C[NH2+]C[C@@H](CCOc1ccccc1)c1ccccc1 ZINC000088097181 370029941 /nfs/dbraw/zinc/02/99/41/370029941.db2.gz HVFFIBJHEBOVNW-MRXNPFEDSA-N 1 0 255.361 3.459 50 0 CGAARO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(CO)o1 ZINC000088751777 370036918 /nfs/dbraw/zinc/03/69/18/370036918.db2.gz GHEFDGYFEQIACK-UHFFFAOYSA-N 1 0 295.379 3.064 50 0 CGAARO c1ccc(C[NH2+]C[C@@H]2C[C@]23CCc2ccccc23)nc1 ZINC000088744986 370036924 /nfs/dbraw/zinc/03/69/24/370036924.db2.gz CQQYCQBRLCUAIR-MAUKXSAKSA-N 1 0 264.372 3.075 50 0 CGAARO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000089941988 370052043 /nfs/dbraw/zinc/05/20/43/370052043.db2.gz LNFSSHTVIMSZFG-OAHLLOKOSA-N 1 0 274.408 3.186 50 0 CGAARO Brc1ccc(C[NH2+]C2CC2)c2ncccc12 ZINC000097232429 370235447 /nfs/dbraw/zinc/23/54/47/370235447.db2.gz RJWXPYHOFPPXLF-UHFFFAOYSA-N 1 0 277.165 3.249 50 0 CGAARO OCC[C@@H]([NH2+]Cc1ccncc1Cl)C1CCCCC1 ZINC000097376807 370240635 /nfs/dbraw/zinc/24/06/35/370240635.db2.gz KMJJNTIUABGHCZ-OAHLLOKOSA-N 1 0 282.815 3.156 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1cccc(SC)c1 ZINC000097773088 370254915 /nfs/dbraw/zinc/25/49/15/370254915.db2.gz IYDSJWNQFMGDLE-CQSZACIVSA-N 1 0 265.422 3.409 50 0 CGAARO Cc1nccn1CC[N@@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC000097514174 370245752 /nfs/dbraw/zinc/24/57/52/370245752.db2.gz YNHVFCYARYXAJT-UHFFFAOYSA-N 1 0 295.386 3.182 50 0 CGAARO C[C@@H](C[NH+]1CCC(c2ncon2)CC1)c1ccccc1 ZINC000097594780 370247243 /nfs/dbraw/zinc/24/72/43/370247243.db2.gz MNOWYQAFFSPBJN-ZDUSSCGKSA-N 1 0 271.364 3.053 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000095420038 370187283 /nfs/dbraw/zinc/18/72/83/370187283.db2.gz WGSWOZHWKLMIKO-AWEZNQCLSA-N 1 0 271.408 3.180 50 0 CGAARO C[N@@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCOC(C)(C)C1 ZINC000097713664 370251959 /nfs/dbraw/zinc/25/19/59/370251959.db2.gz FLWYDDKBZNBSTR-CQSZACIVSA-N 1 0 299.418 3.267 50 0 CGAARO COCc1ccc(C[NH2+]C/C=C\c2ccco2)cc1 ZINC000098059541 370261426 /nfs/dbraw/zinc/26/14/26/370261426.db2.gz NXKHNRWFVDXMER-RQOWECAXSA-N 1 0 257.333 3.229 50 0 CGAARO [NH3+]C[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000100652346 370281626 /nfs/dbraw/zinc/28/16/26/370281626.db2.gz NVFRHKOUUGZFCK-AOOOYVTPSA-N 1 0 263.366 3.031 50 0 CGAARO COc1ccccc1OCCC[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000103408266 370327934 /nfs/dbraw/zinc/32/79/34/370327934.db2.gz UGXGDJLLVSDCMC-HUUCEWRRSA-N 1 0 277.408 3.442 50 0 CGAARO CC1(C)CN(Cc2cncs2)Cc2ccccc2O1 ZINC000290241216 371942828 /nfs/dbraw/zinc/94/28/28/371942828.db2.gz UTAIPRGHCNKOGR-UHFFFAOYSA-N 1 0 274.389 3.316 50 0 CGAARO CC1(C)CN(c2cc(CO)ccn2)C[C@H]1c1ccccc1 ZINC000426537457 372163735 /nfs/dbraw/zinc/16/37/35/372163735.db2.gz JBBXIMCLLUOXPC-INIZCTEOSA-N 1 0 282.387 3.204 50 0 CGAARO OCC[C@@H](C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448078750 373548337 /nfs/dbraw/zinc/54/83/37/373548337.db2.gz WEQCIYFGNRILMR-HNNXBMFYSA-N 1 0 259.393 3.075 50 0 CGAARO C[N@H+](Cc1cc(Cl)nc(Cl)c1)CC1(O)CCCC1 ZINC000083862038 541930621 /nfs/dbraw/zinc/93/06/21/541930621.db2.gz ZHIJTIOHMFPJAZ-UHFFFAOYSA-N 1 0 289.206 3.125 50 0 CGAARO CO[C@@H](C[NH2+][C@H](C)c1cnccn1)c1ccccc1Cl ZINC000090453514 541962618 /nfs/dbraw/zinc/96/26/18/541962618.db2.gz SHBUYXHLAYKVGB-ABAIWWIYSA-N 1 0 291.782 3.168 50 0 CGAARO Cc1ccc(C2=CN(O)[C@H]3CCCC[C@@H]3[N+]2=O)cc1 ZINC000334157203 374652296 /nfs/dbraw/zinc/65/22/96/374652296.db2.gz CPFJHVGOGWKMMI-KBPBESRZSA-N 1 0 259.329 3.088 50 0 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Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C)CC1 ZINC000004737113 170007555 /nfs/dbraw/zinc/00/75/55/170007555.db2.gz GJUXIAJLOGPNCR-UHFFFAOYSA-N 1 0 270.376 3.391 50 0 CGAARO COc1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1 ZINC000004777599 170015545 /nfs/dbraw/zinc/01/55/45/170015545.db2.gz YZBSGVFDKGPZHR-UHFFFAOYSA-N 1 0 266.344 3.466 50 0 CGAARO COc1cc(C)ccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004906885 170039669 /nfs/dbraw/zinc/03/96/69/170039669.db2.gz DXLNDPHCUGPSFL-AWEZNQCLSA-N 1 0 263.381 3.114 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@H](c1ccccc1Cl)[NH2+]CC2 ZINC000004951408 170044829 /nfs/dbraw/zinc/04/48/29/170044829.db2.gz XONMKCZCHUOWRT-SNPRPXQTSA-N 1 0 265.784 3.296 50 0 CGAARO COc1ccc(CC[NH2+]Cc2sccc2C)cc1 ZINC000005019787 170056436 /nfs/dbraw/zinc/05/64/36/170056436.db2.gz YRIJKVUQHCNGGC-UHFFFAOYSA-N 1 0 261.390 3.397 50 0 CGAARO CCC(=O)O[C@](CC)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000005497989 170104706 /nfs/dbraw/zinc/10/47/06/170104706.db2.gz GVNNTSYXCWHSKN-NVXWUHKLSA-N 1 0 275.392 3.197 50 0 CGAARO 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0 CGAARO COc1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC000020093797 170993106 /nfs/dbraw/zinc/99/31/06/170993106.db2.gz KLDQHLUZXCRJQO-GOSISDBHSA-N 1 0 284.403 3.088 50 0 CGAARO c1cn(CCC[NH2+]Cc2cccnc2)c2ccccc12 ZINC000020188690 171053696 /nfs/dbraw/zinc/05/36/96/171053696.db2.gz HLPBVLUWAIIMQT-UHFFFAOYSA-N 1 0 265.360 3.216 50 0 CGAARO Cc1cc(C)c(OCCCCN2CC[NH2+]CC2)c(Cl)c1 ZINC000020272770 171127196 /nfs/dbraw/zinc/12/71/96/171127196.db2.gz MSKDPJONWHZOPG-UHFFFAOYSA-N 1 0 296.842 3.021 50 0 CGAARO C[N@@H+]1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000020390168 171178930 /nfs/dbraw/zinc/17/89/30/171178930.db2.gz QVDSOGCQKCOFOW-HNNXBMFYSA-N 1 0 279.383 3.463 50 0 CGAARO CN(C)CC[NH2+]CCOc1ccc(C(C)(C)C)cc1Cl ZINC000020418821 171183697 /nfs/dbraw/zinc/18/36/97/171183697.db2.gz FZUHPHKWYKYAJT-UHFFFAOYSA-N 1 0 298.858 3.168 50 0 CGAARO Cc1ccnn1CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020784573 171272599 /nfs/dbraw/zinc/27/25/99/171272599.db2.gz RTTRYYGKIPFJLZ-GOSISDBHSA-N 1 0 283.419 3.461 50 0 CGAARO CCc1noc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C)cc2)n1 ZINC000020908706 171279189 /nfs/dbraw/zinc/27/91/89/171279189.db2.gz CROOVDAOKHVUTH-STQMWFEESA-N 1 0 273.380 3.222 50 0 CGAARO Cc1ccccc1OCCCCCC[NH+]1CCOCC1 ZINC000021475807 171304263 /nfs/dbraw/zinc/30/42/63/171304263.db2.gz HFZVZYZICDFKPA-UHFFFAOYSA-N 1 0 277.408 3.266 50 0 CGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000021720538 171320702 /nfs/dbraw/zinc/32/07/02/171320702.db2.gz IKERJNCKOXGBQL-CQSZACIVSA-N 1 0 257.337 3.024 50 0 CGAARO Cc1occc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000021939579 171338052 /nfs/dbraw/zinc/33/80/52/171338052.db2.gz BPEZDVMPCOOJML-UHFFFAOYSA-N 1 0 298.386 3.114 50 0 CGAARO CN(C)CC[N@H+](C)CC(c1ccccc1)c1ccccc1 ZINC000022578824 171392663 /nfs/dbraw/zinc/39/26/63/171392663.db2.gz GVEATOYRVYMEPS-UHFFFAOYSA-N 1 0 282.431 3.312 50 0 CGAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccccn1 ZINC000022628191 171395107 /nfs/dbraw/zinc/39/51/07/171395107.db2.gz PTKBFIOKMJBNGT-UHFFFAOYSA-N 1 0 265.360 3.204 50 0 biogenic CGAARO NC(=[NH2+])SCCOC(c1ccccc1)c1ccccc1 ZINC000030009023 171612086 /nfs/dbraw/zinc/61/20/86/171612086.db2.gz WYWXPHPMDBULCJ-UHFFFAOYSA-N 1 0 286.400 3.419 50 0 CGAARO OC[C@@]1([NH2+]Cc2cccs2)CCCc2ccccc21 ZINC000038123752 174130360 /nfs/dbraw/zinc/13/03/60/174130360.db2.gz WPUPRUAQEWEZGO-INIZCTEOSA-N 1 0 273.401 3.062 50 0 CGAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580887 174148848 /nfs/dbraw/zinc/14/88/48/174148848.db2.gz TWKJMDZZIWMLFH-SECBINFHSA-N 1 0 290.588 3.233 50 0 CGAARO Clc1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000039953912 174177733 /nfs/dbraw/zinc/17/77/33/174177733.db2.gz FMIHVOMYDRWYSF-VIFPVBQESA-N 1 0 290.588 3.233 50 0 CGAARO CCCc1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770298 174870665 /nfs/dbraw/zinc/87/06/65/174870665.db2.gz KNLAFCNJDVTOIH-NSHDSACASA-N 1 0 298.224 3.390 50 0 CGAARO Fc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042772279 174871527 /nfs/dbraw/zinc/87/15/27/174871527.db2.gz JGQVVYDQXXLCED-NSHDSACASA-N 1 0 257.736 3.390 50 0 CGAARO CC(C)C[C@@H](C)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000044910807 175275682 /nfs/dbraw/zinc/27/56/82/175275682.db2.gz YOVYVMUPJGCBGQ-LLVKDONJSA-N 1 0 263.341 3.196 50 0 CGAARO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2cnc(C)s2)c1 ZINC000071875368 176284750 /nfs/dbraw/zinc/28/47/50/176284750.db2.gz GBTZWOPCCLTSHD-CQSZACIVSA-N 1 0 290.436 3.011 50 0 CGAARO Cc1cccc(-c2cccc(C(=O)NCCC[NH+](C)C)c2)c1 ZINC000072243308 176349608 /nfs/dbraw/zinc/34/96/08/176349608.db2.gz POPUFGSILVPQLD-UHFFFAOYSA-N 1 0 296.414 3.344 50 0 CGAARO C[NH+](C)C[C@@H]1CCc2c3ccccc3ccc2C1=O ZINC000001594856 273798837 /nfs/dbraw/zinc/79/88/37/273798837.db2.gz XUVNFCHKOLMOIG-ZDUSSCGKSA-N 1 0 253.345 3.147 50 0 CGAARO COc1ccc(C(F)(F)F)cc1C1CC[NH2+]CC1 ZINC000066055054 274107079 /nfs/dbraw/zinc/10/70/79/274107079.db2.gz JKDGKKAQRIRNRJ-UHFFFAOYSA-N 1 0 259.271 3.181 50 0 CGAARO c1csc(C[NH+]2CCC3(CNc4ccccc43)CC2)n1 ZINC000097819545 275074849 /nfs/dbraw/zinc/07/48/49/275074849.db2.gz WVOMNQAWTBJSQF-UHFFFAOYSA-N 1 0 285.416 3.102 50 0 CGAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000071819528 275539780 /nfs/dbraw/zinc/53/97/80/275539780.db2.gz PZSUBCFUORTYDF-CQSZACIVSA-N 1 0 285.391 3.321 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000012382636 275656992 /nfs/dbraw/zinc/65/69/92/275656992.db2.gz ABMCIRKIKYQIOE-MRXNPFEDSA-N 1 0 285.387 3.091 50 0 CGAARO CC[N@H+](C[C@@H](O)Cc1ccccc1)[C@H](C)c1cccc(O)c1 ZINC000247020742 276135918 /nfs/dbraw/zinc/13/59/18/276135918.db2.gz LVZXLJLUSRYIOD-BEFAXECRSA-N 1 0 299.414 3.379 50 0 CGAARO CCCC[C@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013142071 276242416 /nfs/dbraw/zinc/24/24/16/276242416.db2.gz ZPDBNCKBKRZZEB-XHSDSOJGSA-N 1 0 269.429 3.430 50 0 CGAARO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nnc(C)o1 ZINC000249499688 276510703 /nfs/dbraw/zinc/51/07/03/276510703.db2.gz IATBITGICPXFJN-YUSALJHKSA-N 1 0 269.414 3.093 50 0 CGAARO CC[C@@H](COC)[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000090118314 276527281 /nfs/dbraw/zinc/52/72/81/276527281.db2.gz ZHNJWFJVSXPUJW-STQMWFEESA-N 1 0 275.396 3.132 50 0 CGAARO C[C@@H](C1CC1)[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000170621625 278219021 /nfs/dbraw/zinc/21/90/21/278219021.db2.gz HAMUDUVFCGIMRM-ORAYPTAESA-N 1 0 277.433 3.057 50 0 CGAARO CC[NH+](CC)C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013304209 279133313 /nfs/dbraw/zinc/13/33/13/279133313.db2.gz BQVXVLMTOLHEMR-PCKAHOCUSA-N 1 0 285.472 3.311 50 0 CGAARO C[C@H]1[C@H](O)CC[C@@]2(C)C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000013401212 280120203 /nfs/dbraw/zinc/12/02/03/280120203.db2.gz WOBWPNVQJOHAFG-SPUZQDLCSA-N 1 0 273.420 3.306 50 0 CGAARO Cc1cccc([C@@H](C)[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000098015847 281251892 /nfs/dbraw/zinc/25/18/92/281251892.db2.gz IPLLGOJQRVJHGV-OAHLLOKOSA-N 1 0 286.419 3.143 50 0 CGAARO FCCCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000225469225 294725223 /nfs/dbraw/zinc/72/52/23/294725223.db2.gz YGEONEUKDZITOO-UONOGXRCSA-N 1 0 253.365 3.096 50 0 CGAARO COc1ccc([C@@H](CC[NH3+])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000244221 295211512 /nfs/dbraw/zinc/21/15/12/295211512.db2.gz LBUHCPWRASYICY-GDBMZVCRSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO c1ccc2oc(CCC[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000534637820 328334666 /nfs/dbraw/zinc/33/46/66/328334666.db2.gz MXNPUFRAFVIROG-GFCCVEGCSA-N 1 0 276.405 3.246 50 0 CGAARO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000007446992 326821417 /nfs/dbraw/zinc/82/14/17/326821417.db2.gz LYTLQHYBWVAUAW-UHFFFAOYSA-N 1 0 280.799 3.319 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCC1 ZINC000177899392 335405339 /nfs/dbraw/zinc/40/53/39/335405339.db2.gz XJALHZGJDDVIEN-CQSZACIVSA-N 1 0 286.419 3.087 50 0 CGAARO CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558655 336056177 /nfs/dbraw/zinc/05/61/77/336056177.db2.gz RUAIRCCOJHJFKW-HZSPNIEDSA-N 1 0 277.433 3.386 50 0 CGAARO Cc1nc(C[C@@H]2CCC[N@H+](CCSC(C)(C)C)C2)no1 ZINC000369223353 534411618 /nfs/dbraw/zinc/41/16/18/534411618.db2.gz FBJGNBWYWPGARQ-ZDUSSCGKSA-N 1 0 297.468 3.164 50 0 CGAARO CC(C)C[NH+](CCS(=O)(=O)c1ccccc1)CC(C)C ZINC000052712267 519717180 /nfs/dbraw/zinc/71/71/80/519717180.db2.gz PNBXKGUVBZLGJS-UHFFFAOYSA-N 1 0 297.464 3.074 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(F)cc2)o1 ZINC000035255515 525794095 /nfs/dbraw/zinc/79/40/95/525794095.db2.gz ACIUGZFXQDUSSS-UHFFFAOYSA-N 1 0 285.322 3.407 50 0 CGAARO c1ncc(C[NH2+]CCSc2ccccc2)s1 ZINC000054788239 526613143 /nfs/dbraw/zinc/61/31/43/526613143.db2.gz OECDAEWYXHTHPT-UHFFFAOYSA-N 1 0 250.392 3.025 50 0 CGAARO C[C@@H]([NH3+])c1ccc(OC(F)F)c(Br)c1 ZINC000585672468 567938582 /nfs/dbraw/zinc/93/85/82/567938582.db2.gz ZHXXXUUJSVPKKG-RXMQYKEDSA-N 1 0 266.085 3.070 50 0 CGAARO CC1(NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CCCC1 ZINC000952988813 614518148 /nfs/dbraw/zinc/51/81/48/614518148.db2.gz SLCPFPHHLFQCIF-UHFFFAOYSA-N 1 0 280.456 3.382 50 0 CGAARO Cc1csc(C[NH2+]C[C@](C)(O)c2cccc(Cl)c2)n1 ZINC000185120375 625308490 /nfs/dbraw/zinc/30/84/90/625308490.db2.gz AEDQMTSADAHVTG-AWEZNQCLSA-N 1 0 296.823 3.102 50 0 CGAARO COc1cc(C[NH2+][C@H]2COc3ccccc3C2)ccc1C ZINC000194269907 619138652 /nfs/dbraw/zinc/13/86/52/619138652.db2.gz MLUKBKDXTQQOCQ-MRXNPFEDSA-N 1 0 283.371 3.097 50 0 CGAARO C[C@@H]([NH2+]CCCNc1ccccc1)[C@@H]1CC1(F)F ZINC000888098878 619260418 /nfs/dbraw/zinc/26/04/18/619260418.db2.gz PVPGTQGWIVKLJY-YPMHNXCESA-N 1 0 254.324 3.122 50 0 CGAARO C[C@H]([NH2+]CCCC1(O)CCC1)C(C)(C)C(=O)OC(C)(C)C ZINC000888098871 619260489 /nfs/dbraw/zinc/26/04/89/619260489.db2.gz PUFPEEYLEZRHGK-ZDUSSCGKSA-N 1 0 299.455 3.028 50 0 CGAARO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093642891 619448662 /nfs/dbraw/zinc/44/86/62/619448662.db2.gz MATBPUPCOXWMJM-CYBMUJFWSA-N 1 0 280.437 3.248 50 0 CGAARO CCC[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@H](O)c1ccccc1 ZINC000850467575 624202632 /nfs/dbraw/zinc/20/26/32/624202632.db2.gz XFFUZRILMOBDEI-IXDOHACOSA-N 1 0 289.419 3.190 50 0 CGAARO C=CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000863971529 629707938 /nfs/dbraw/zinc/70/79/38/629707938.db2.gz XHYGNSNDYJAYAZ-UHFFFAOYSA-N 1 0 298.430 3.220 50 0 CGAARO CC(C)(O)CC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000585118252 799677999 /nfs/dbraw/zinc/67/79/99/799677999.db2.gz IFYCIQSDXMLIBJ-UHFFFAOYSA-N 1 0 284.812 3.200 50 0 CGAARO COCC[C@H](C)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000585118590 799678035 /nfs/dbraw/zinc/67/80/35/799678035.db2.gz VGYCBEFIMQHYPA-VIFPVBQESA-N 1 0 284.812 3.464 50 0 CGAARO c1c(C2CC2)nnn1[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000585133682 799679052 /nfs/dbraw/zinc/67/90/52/799679052.db2.gz QNVMBEHWXYFLMX-KRWDZBQOSA-N 1 0 296.418 3.035 50 0 CGAARO C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000823765993 800468823 /nfs/dbraw/zinc/46/88/23/800468823.db2.gz OLRQCIZLMSNFRO-ARFHVFGLSA-N 1 0 263.356 3.124 50 0 CGAARO CSC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000824891363 800472630 /nfs/dbraw/zinc/47/26/30/800472630.db2.gz DEWDJDDJHKCSJI-CQSZACIVSA-N 1 0 270.486 3.126 50 0 CGAARO CCCc1ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC000952868935 800685019 /nfs/dbraw/zinc/68/50/19/800685019.db2.gz FHGPNUQTUKUFCV-KRWDZBQOSA-N 1 0 278.440 3.442 50 0 CGAARO Cc1ccc([C@H](C)CC[NH2+]Cc2cccc(CO)c2)o1 ZINC000952872325 800686161 /nfs/dbraw/zinc/68/61/61/800686161.db2.gz OVJOVUXANDMJPH-CYBMUJFWSA-N 1 0 273.376 3.364 50 0 CGAARO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3ccncc3)CC2)o1 ZINC000952880998 800687088 /nfs/dbraw/zinc/68/70/88/800687088.db2.gz FQVWIEFJHLWHIE-OCCSQVGLSA-N 1 0 286.379 3.104 50 0 CGAARO Cc1cccnc1C[N@H+](C)Cc1ccc(-c2ncc[nH]2)s1 ZINC000199295641 927265766 /nfs/dbraw/zinc/26/57/66/927265766.db2.gz PVABBELGXDZTAV-UHFFFAOYSA-N 1 0 298.415 3.474 50 0 CGAARO CN(Cc1noc(C2CC2)n1)c1cc[nH+]c2ccccc21 ZINC001506399691 937989668 /nfs/dbraw/zinc/98/96/68/937989668.db2.gz CHBDIQJTPNIQNC-UHFFFAOYSA-N 1 0 280.331 3.132 50 0 CGAARO C[N@H+](CCn1cccn1)C[C@@]1(c2ccccc2)CC1(C)C ZINC001529102160 938070770 /nfs/dbraw/zinc/07/07/70/938070770.db2.gz YUNNHROXKJUFGW-GOSISDBHSA-N 1 0 283.419 3.183 50 0 CGAARO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096456827 230377473 /nfs/dbraw/zinc/37/74/73/230377473.db2.gz VYJXPQCHAAUMFC-PIGZYNQJSA-N 1 0 289.350 3.324 50 0 CGAARO C[C@H](c1ccc(-c2cn(C)cn2)cc1)[NH+]1CCCC1 ZINC000426666926 230426112 /nfs/dbraw/zinc/42/61/12/230426112.db2.gz CGCWPWKYTOPMHW-CYBMUJFWSA-N 1 0 255.365 3.244 50 0 CGAARO CC(C)c1ccc(C2(CNC(N)=[NH2+])CCCC2)cc1 ZINC000095953707 185040939 /nfs/dbraw/zinc/04/09/39/185040939.db2.gz DUFUCDQPAQOVHB-UHFFFAOYSA-N 1 0 259.397 3.105 50 0 CGAARO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(Cl)cc1 ZINC000095968022 185046866 /nfs/dbraw/zinc/04/68/66/185046866.db2.gz UHTYGRPJRDWVFO-CYBMUJFWSA-N 1 0 296.842 3.101 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000095991123 185058631 /nfs/dbraw/zinc/05/86/31/185058631.db2.gz VGEGFDUJGRNSOG-OLZOCXBDSA-N 1 0 299.846 3.065 50 0 CGAARO C[C@H](c1cccc(-c2n[nH]c(C(F)(F)F)n2)c1)[NH+](C)C ZINC000096130387 185103830 /nfs/dbraw/zinc/10/38/30/185103830.db2.gz BMDRKRXMOHTSQT-MRVPVSSYSA-N 1 0 284.285 3.113 50 0 CGAARO CC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)C1CC1 ZINC000097016520 529626668 /nfs/dbraw/zinc/62/66/68/529626668.db2.gz QACSRQOTLFENMX-KRWDZBQOSA-N 1 0 269.392 3.210 50 0 CGAARO Cc1nnc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)o1 ZINC000071915690 282315746 /nfs/dbraw/zinc/31/57/46/282315746.db2.gz IYQYYFKQYKNWLU-JSGCOSHPSA-N 1 0 271.364 3.064 50 0 CGAARO C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000097657332 530053060 /nfs/dbraw/zinc/05/30/60/530053060.db2.gz OQNJYCNCCCLZIY-ZDUSSCGKSA-N 1 0 299.777 3.085 50 0 CGAARO Cc1cccc(Cl)c1OCCOCC[NH+]1CCCC1 ZINC000002896123 344858160 /nfs/dbraw/zinc/85/81/60/344858160.db2.gz HLDGASZCXNWETJ-UHFFFAOYSA-N 1 0 283.799 3.140 50 0 CGAARO CO[C@H](C[NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000066973976 345311005 /nfs/dbraw/zinc/31/10/05/345311005.db2.gz CPKOIFOJQZPOAQ-QGZVFWFLSA-N 1 0 295.386 3.051 50 0 CGAARO COC[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000072308086 345408996 /nfs/dbraw/zinc/40/89/96/345408996.db2.gz KSANMPVGAGVIFR-KGLIPLIRSA-N 1 0 296.842 3.054 50 0 CGAARO CC(=O)c1c(=[NH2+])sc(-c2ccccc2)nc1N1CCCC1 ZINC000075286239 345499634 /nfs/dbraw/zinc/49/96/34/345499634.db2.gz UOIRVAVEGDCDPZ-UHFFFAOYSA-N 1 0 299.399 3.092 50 0 CGAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000075604958 345514930 /nfs/dbraw/zinc/51/49/30/345514930.db2.gz QJIYSRRZDGQLSC-QWHCGFSZSA-N 1 0 297.830 3.088 50 0 CGAARO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H](O)c1ccc(O)cc1 ZINC000095918187 345900765 /nfs/dbraw/zinc/90/07/65/345900765.db2.gz WMXAWRKOHYXEQB-GLJUWKHASA-N 1 0 285.387 3.035 50 0 CGAARO C[NH2+][C@@]1(c2ccccc2C(F)(F)F)CCCCC1=O ZINC000096027238 345901754 /nfs/dbraw/zinc/90/17/54/345901754.db2.gz LETHPPJNGNSLDJ-CYBMUJFWSA-N 1 0 271.282 3.263 50 0 CGAARO C[NH+](C)C[C@]1(C)Cc2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000096027201 345901919 /nfs/dbraw/zinc/90/19/19/345901919.db2.gz TVMJKCNCLGEZRI-PMACEKPBSA-N 1 0 295.426 3.241 50 0 CGAARO CC[N@@H+]1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)[C@H](C)C1 ZINC000097095670 345906627 /nfs/dbraw/zinc/90/66/27/345906627.db2.gz RCDQGAZSQPLMOW-CZUORRHYSA-N 1 0 289.423 3.096 50 0 CGAARO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000106217015 345930149 /nfs/dbraw/zinc/93/01/49/345930149.db2.gz CQSHWPHPSTVAFI-INIZCTEOSA-N 1 0 299.418 3.161 50 0 CGAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccco2)C1 ZINC000108453297 345937442 /nfs/dbraw/zinc/93/74/42/345937442.db2.gz FIMPJCWBSXAFIG-KGLIPLIRSA-N 1 0 289.762 3.461 50 0 CGAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000136487689 346090807 /nfs/dbraw/zinc/09/08/07/346090807.db2.gz ODDRWAQINKKTBV-BNEJOLLZSA-N 1 0 289.419 3.261 50 0 CGAARO COC[C@](C)([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000154635258 346149819 /nfs/dbraw/zinc/14/98/19/346149819.db2.gz FVAPGITYGKSRPT-KRWDZBQOSA-N 1 0 270.376 3.041 50 0 CGAARO c1ncc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000157430953 346161460 /nfs/dbraw/zinc/16/14/60/346161460.db2.gz AGLDJQDUQNWWST-UKRRQHHQSA-N 1 0 274.389 3.153 50 0 CGAARO C[NH+](C)CCCOc1ccc(Br)cc1Cl ZINC000230552848 346321022 /nfs/dbraw/zinc/32/10/22/346321022.db2.gz CDVDCADTPBQQLY-UHFFFAOYSA-N 1 0 292.604 3.433 50 0 CGAARO CCCC[NH2+]Cc1c(F)cccc1Br ZINC000085476901 179079918 /nfs/dbraw/zinc/07/99/18/179079918.db2.gz BXNXFHVCVHRBIT-UHFFFAOYSA-N 1 0 260.150 3.478 50 0 CGAARO CC(C)[C@H](CNc1ccc2cccc(Cl)c2n1)[NH+](C)C ZINC000534661263 346649008 /nfs/dbraw/zinc/64/90/08/346649008.db2.gz FEROKSNVLIHMSU-AWEZNQCLSA-N 1 0 291.826 3.308 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@@H]1CCOC1 ZINC000584887700 346721446 /nfs/dbraw/zinc/72/14/46/346721446.db2.gz WZCVTVQTXVEQEZ-GFCCVEGCSA-N 1 0 278.783 3.051 50 0 CGAARO Cc1cc(C[NH2+]C2CCN(Cc3ccco3)CC2)cnc1C ZINC000584889423 346722376 /nfs/dbraw/zinc/72/23/76/346722376.db2.gz ROSUQDALVMWLHW-UHFFFAOYSA-N 1 0 299.418 3.046 50 0 CGAARO Cc1ccccc1[C@@H]([NH2+]C1CCOCC1)c1ccncc1 ZINC000584900389 346723584 /nfs/dbraw/zinc/72/35/84/346723584.db2.gz PNYXTONOJAIUTF-SFHVURJKSA-N 1 0 282.387 3.248 50 0 CGAARO CC[N@@H+]1CCCC[C@H]1CNCc1cccc(O)c1Cl ZINC000339250503 215039959 /nfs/dbraw/zinc/03/99/59/215039959.db2.gz VCRASICBLUZEKV-ZDUSSCGKSA-N 1 0 282.815 3.010 50 0 CGAARO C[NH2+]C[C@H](CCOc1ccccc1)c1ccccc1 ZINC000088097183 179547239 /nfs/dbraw/zinc/54/72/39/179547239.db2.gz HVFFIBJHEBOVNW-INIZCTEOSA-N 1 0 255.361 3.459 50 0 CGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000090728983 180032684 /nfs/dbraw/zinc/03/26/84/180032684.db2.gz ZTNJKUHBSDEFJP-MFKMUULPSA-N 1 0 280.412 3.331 50 0 CGAARO FCCCCN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091319817 180133638 /nfs/dbraw/zinc/13/36/38/180133638.db2.gz QRLDPYIAYGIXGR-ZWKOTPCHSA-N 1 0 290.426 3.333 50 0 CGAARO Cc1nc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)c(C)s1 ZINC000092045501 180311426 /nfs/dbraw/zinc/31/14/26/180311426.db2.gz VYGXPXMVWSAQOP-INIZCTEOSA-N 1 0 294.464 3.135 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C)cc(F)c1 ZINC000135217564 187808189 /nfs/dbraw/zinc/80/81/89/187808189.db2.gz IFKDBZGJWZHPAV-UHFFFAOYSA-N 1 0 286.350 3.496 50 0 CGAARO C[C@@H](c1ccccc1Cl)N(C(=O)CCC[NH3+])C1CC1 ZINC000153443521 188082624 /nfs/dbraw/zinc/08/26/24/188082624.db2.gz ASTZKPSQGZQSIA-NSHDSACASA-N 1 0 280.799 3.131 50 0 CGAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000000252516 368325426 /nfs/dbraw/zinc/32/54/26/368325426.db2.gz KBJABLNQZCSKGE-UHFFFAOYSA-N 1 0 298.230 3.134 50 0 CGAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1OC)CC1CC1 ZINC000000277516 368330642 /nfs/dbraw/zinc/33/06/42/368330642.db2.gz WAAGUKFPQMNOKL-UHFFFAOYSA-N 1 0 293.407 3.334 50 0 CGAARO O=C(c1cccc(Cl)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000000285061 368333202 /nfs/dbraw/zinc/33/32/02/368333202.db2.gz QVGTVIZRCOYFSO-UHFFFAOYSA-N 1 0 292.810 3.040 50 0 CGAARO O=C(CC[NH+]1CCCC1)Nc1c2c(cc3c1CCC3)CCC2 ZINC000000347599 368345390 /nfs/dbraw/zinc/34/53/90/368345390.db2.gz UKLAGNISAUBECO-UHFFFAOYSA-N 1 0 298.430 3.088 50 0 CGAARO CC[n+]1c2ccccc2sc1SCC(=O)OC(C)C ZINC000000407634 368359598 /nfs/dbraw/zinc/35/95/98/368359598.db2.gz FBELUBBVOOTQKV-UHFFFAOYSA-N 1 0 296.437 3.252 50 0 CGAARO Cc1sc(C(=O)[C@H](C)C[NH+](C)C)cc1Br ZINC000000480805 368376927 /nfs/dbraw/zinc/37/69/27/368376927.db2.gz FQJYSEFVBMGNAU-SSDOTTSWSA-N 1 0 290.226 3.199 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1 ZINC000000757068 368393829 /nfs/dbraw/zinc/39/38/29/368393829.db2.gz YWLKZPFADZUVNW-GSVLIZDISA-N 1 0 291.435 3.086 50 0 CGAARO CCCC[C@H](CC)[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000002306514 368451491 /nfs/dbraw/zinc/45/14/91/368451491.db2.gz ZPDBNCKBKRZZEB-JYJNAYRXSA-N 1 0 269.429 3.430 50 0 CGAARO Brc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002497222 368457879 /nfs/dbraw/zinc/45/78/79/368457879.db2.gz SSMYHVJPDRAFFF-UHFFFAOYSA-N 1 0 284.197 3.314 50 0 CGAARO CCC[N@H+](CCC(=O)Nc1cccc(OC)c1)CC1CC1 ZINC000002760452 368476666 /nfs/dbraw/zinc/47/66/66/368476666.db2.gz SJFXQAKUIFCGIT-UHFFFAOYSA-N 1 0 290.407 3.146 50 0 CGAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000002553908 368463851 /nfs/dbraw/zinc/46/38/51/368463851.db2.gz CNUONIQYWHGUDA-KRWDZBQOSA-N 1 0 299.370 3.219 50 0 CGAARO COCC[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000003003444 368488479 /nfs/dbraw/zinc/48/84/79/368488479.db2.gz YYIIFCHSXOUGMN-UHFFFAOYSA-N 1 0 292.206 3.388 50 0 CGAARO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000003221520 368497118 /nfs/dbraw/zinc/49/71/18/368497118.db2.gz IGGSFGATAZOTDO-OAHLLOKOSA-N 1 0 282.387 3.454 50 0 CGAARO CC(=O)Nc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003684275 368517291 /nfs/dbraw/zinc/51/72/91/368517291.db2.gz IOGLRBBARQVALG-UHFFFAOYSA-N 1 0 280.371 3.203 50 0 CGAARO CC[N@H+](CCO)Cc1cc2cc(Cl)ccc2s1 ZINC000005715609 368564068 /nfs/dbraw/zinc/56/40/68/368564068.db2.gz QZPHGCYJCHVJLS-UHFFFAOYSA-N 1 0 269.797 3.369 50 0 CGAARO O[C@@H](C[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005189623 368562108 /nfs/dbraw/zinc/56/21/08/368562108.db2.gz ZVCDHPXELZRAFC-KLZNEWFBSA-N 1 0 263.425 3.050 50 0 CGAARO CC1(C)CC(NC(=O)c2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000004191424 368535563 /nfs/dbraw/zinc/53/55/63/368535563.db2.gz ZDLRBJOUADWEPL-UHFFFAOYSA-N 1 0 294.826 3.379 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000004197846 368537072 /nfs/dbraw/zinc/53/70/72/368537072.db2.gz BDNVMTUHBXMNIJ-WBVHZDCISA-N 1 0 289.419 3.455 50 0 CGAARO Fc1ccc(N[C@H]2CCC[N@H+](CC3CC3)C2)cc1F ZINC000011842817 368597361 /nfs/dbraw/zinc/59/73/61/368597361.db2.gz BHWOEFPKJKNIIQ-ZDUSSCGKSA-N 1 0 266.335 3.251 50 0 CGAARO C[C@H](CNC(=O)Nc1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000012223557 368606445 /nfs/dbraw/zinc/60/64/45/368606445.db2.gz UFVVLPWBHWQBDM-CYBMUJFWSA-N 1 0 293.386 3.068 50 0 CGAARO c1c[nH]c(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)n1 ZINC000012302186 368606896 /nfs/dbraw/zinc/60/68/96/368606896.db2.gz BUIYDFRGNIEZSZ-INIZCTEOSA-N 1 0 269.392 3.255 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccco2)cc1OC ZINC000012383608 368610705 /nfs/dbraw/zinc/61/07/05/368610705.db2.gz TXBKOBBGYWRGEG-GFCCVEGCSA-N 1 0 275.348 3.018 50 0 CGAARO C[N@H+](CC(=O)NC1CCCCCC1)C1CCCCC1 ZINC000013323124 368648962 /nfs/dbraw/zinc/64/89/62/368648962.db2.gz FXTHFQUWYMEQGR-UHFFFAOYSA-N 1 0 266.429 3.090 50 0 CGAARO COc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000015423476 368695166 /nfs/dbraw/zinc/69/51/66/368695166.db2.gz ZJEBNFNARQFVIJ-UHFFFAOYSA-N 1 0 266.344 3.466 50 0 CGAARO CCC[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1 ZINC000016695406 368720304 /nfs/dbraw/zinc/72/03/04/368720304.db2.gz VJOMFULPVUNHIM-INIZCTEOSA-N 1 0 286.375 3.027 50 0 CGAARO Cc1cc(C)c(C)c(OCCCCC[NH+]2CCOCC2)c1 ZINC000019607393 368758888 /nfs/dbraw/zinc/75/88/88/368758888.db2.gz BVTOEMZAORCVLC-UHFFFAOYSA-N 1 0 291.435 3.493 50 0 CGAARO O[C@@H]1CCC[N@H+](CC2(c3ccccc3)CCCCC2)C1 ZINC000019639168 368760899 /nfs/dbraw/zinc/76/08/99/368760899.db2.gz OSZVPMQHVXZRRA-QGZVFWFLSA-N 1 0 273.420 3.345 50 0 CGAARO Fc1cccc(C[C@@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000019838083 368769991 /nfs/dbraw/zinc/76/99/91/368769991.db2.gz ZQKRHRZEBMVPNJ-MRXNPFEDSA-N 1 0 263.356 3.012 50 0 CGAARO O[C@@H](C[NH2+]Cc1c(F)cccc1Cl)c1ccccc1 ZINC000019872162 368774251 /nfs/dbraw/zinc/77/42/51/368774251.db2.gz AIDZBNBIURRKQG-HNNXBMFYSA-N 1 0 279.742 3.302 50 0 CGAARO CCc1ccc(CN2CC[NH+]([C@H](C)CC)CC2)cc1 ZINC000019360250 368749621 /nfs/dbraw/zinc/74/96/21/368749621.db2.gz FPBUCEOKBFTNMC-OAHLLOKOSA-N 1 0 260.425 3.165 50 0 CGAARO c1ccc([C@@H](C[NH2+]Cc2ccncc2)N2CCCC2)cc1 ZINC000020096472 368802188 /nfs/dbraw/zinc/80/21/88/368802188.db2.gz JOMXRYDAEPHVHN-GOSISDBHSA-N 1 0 281.403 3.008 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)C1CCCCC1)c1cccs1 ZINC000023105595 368815797 /nfs/dbraw/zinc/81/57/97/368815797.db2.gz DGROKIHOBHPSGE-ZDUSSCGKSA-N 1 0 280.437 3.047 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)c(OC)c1 ZINC000025356887 368844441 /nfs/dbraw/zinc/84/44/41/368844441.db2.gz DDGSVPIARBCZFG-MRXNPFEDSA-N 1 0 299.370 3.317 50 0 CGAARO Cc1ccc([C@H](CNC(=O)C(C)C)[NH+]2CCCCC2)cc1 ZINC000027663894 368874617 /nfs/dbraw/zinc/87/46/17/368874617.db2.gz WZQBFASNORRZLI-KRWDZBQOSA-N 1 0 288.435 3.294 50 0 CGAARO C[N@H+](CC(=O)Nc1cccc(F)c1)[C@H]1CCc2ccccc21 ZINC000029483590 368896445 /nfs/dbraw/zinc/89/64/45/368896445.db2.gz VHZWBUWTUPJULM-KRWDZBQOSA-N 1 0 298.361 3.384 50 0 CGAARO c1ccc(COc2ccc3c(c2)O[C@]2(C=C3)CC[NH2+]C2)cc1 ZINC000036141901 369011726 /nfs/dbraw/zinc/01/17/26/369011726.db2.gz ZAETYPVNHYAERE-LJQANCHMSA-N 1 0 293.366 3.403 50 0 CGAARO Cc1ccc(CN(C)Cc2nc(C3CC3)no2)c(C)c1 ZINC000036391953 369019773 /nfs/dbraw/zinc/01/97/73/369019773.db2.gz PUKHBFLRPBAXEU-UHFFFAOYSA-N 1 0 271.364 3.196 50 0 CGAARO O=C(C[NH2+]CC1CCC1)Nc1c(Cl)cccc1Cl ZINC000036825289 369031443 /nfs/dbraw/zinc/03/14/43/369031443.db2.gz FMKWGTMBJOXECH-UHFFFAOYSA-N 1 0 287.190 3.322 50 0 CGAARO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157024 369072195 /nfs/dbraw/zinc/07/21/95/369072195.db2.gz GBXPNBYOJDOGAV-MNOVXSKESA-N 1 0 281.762 3.415 50 0 CGAARO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157022 369073330 /nfs/dbraw/zinc/07/33/30/369073330.db2.gz GBXPNBYOJDOGAV-QWRGUYRKSA-N 1 0 281.762 3.415 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000037071164 369058173 /nfs/dbraw/zinc/05/81/73/369058173.db2.gz WLZRMDIUIZIWRY-GFCCVEGCSA-N 1 0 269.392 3.448 50 0 CGAARO COc1cccc([C@@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000037771568 369108410 /nfs/dbraw/zinc/10/84/10/369108410.db2.gz RZMOUSXEKPKMGT-SNVBAGLBSA-N 1 0 260.337 3.151 50 0 CGAARO CC[N@@H+]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000040503236 369159262 /nfs/dbraw/zinc/15/92/62/369159262.db2.gz VBDYYMSVIFJGDQ-CQSZACIVSA-N 1 0 255.365 3.131 50 0 CGAARO CCCc1ccc(OCC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000042773761 369232406 /nfs/dbraw/zinc/23/24/06/369232406.db2.gz JSVCXWWFMYAUTN-OAHLLOKOSA-N 1 0 277.408 3.416 50 0 CGAARO C[N@@H+](Cc1nc(-c2ccccc2Cl)no1)CC1CC1 ZINC000052106284 369464834 /nfs/dbraw/zinc/46/48/34/369464834.db2.gz WKKRIZWGQIHSSA-UHFFFAOYSA-N 1 0 277.755 3.232 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000054610078 369504227 /nfs/dbraw/zinc/50/42/27/369504227.db2.gz KUIZPLFGTOOLPY-HIFRSBDPSA-N 1 0 298.390 3.286 50 0 CGAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054886613 369507416 /nfs/dbraw/zinc/50/74/16/369507416.db2.gz KCBBBTKMVOWNMG-QGZVFWFLSA-N 1 0 298.386 3.075 50 0 CGAARO CCOC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000055168511 369512160 /nfs/dbraw/zinc/51/21/60/369512160.db2.gz BSXVAZZGSMOSNR-UHFFFAOYSA-N 1 0 295.382 3.271 50 0 CGAARO CC[C@@H](CO)[N@H+](Cc1cccc(O)c1)Cc1ccccc1C ZINC000055569017 369519961 /nfs/dbraw/zinc/51/99/61/369519961.db2.gz QMOVRJUSZBRSRF-SFHVURJKSA-N 1 0 299.414 3.474 50 0 CGAARO CC[C@H](CO)[N@H+](Cc1cccc(O)c1)Cc1ccccc1C ZINC000055569018 369520147 /nfs/dbraw/zinc/52/01/47/369520147.db2.gz QMOVRJUSZBRSRF-GOSISDBHSA-N 1 0 299.414 3.474 50 0 CGAARO CC(=O)Nc1cccc(Oc2ccccc2C[NH+](C)C)c1 ZINC000067473480 369717676 /nfs/dbraw/zinc/71/76/76/369717676.db2.gz HJPZTSHEJZTSAN-UHFFFAOYSA-N 1 0 284.359 3.499 50 0 CGAARO CC[C@H]([NH2+]C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000065526717 369680638 /nfs/dbraw/zinc/68/06/38/369680638.db2.gz NWRYRPXPSFCLNZ-HNNXBMFYSA-N 1 0 281.421 3.073 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000065503429 369680983 /nfs/dbraw/zinc/68/09/83/369680983.db2.gz NPGSOPSQPQDCLN-CQSZACIVSA-N 1 0 287.407 3.166 50 0 CGAARO 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ZINC000239672788 256868552 /nfs/dbraw/zinc/86/85/52/256868552.db2.gz BVHZRRVVZPWHHA-BPLDGKMQSA-N 1 0 278.396 3.091 50 0 CGAARO CC[NH+](CC)CCOC(=O)Nc1cc(C)cc(C)c1 ZINC000001590477 169720366 /nfs/dbraw/zinc/72/03/66/169720366.db2.gz HEJRVPIJCGMJFH-UHFFFAOYSA-N 1 0 264.369 3.194 50 0 CGAARO CCCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027990384 391954963 /nfs/dbraw/zinc/95/49/63/391954963.db2.gz XKTGUMAXEJALMC-QGZVFWFLSA-N 1 0 288.435 3.438 50 0 CGAARO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000035755545 391974235 /nfs/dbraw/zinc/97/42/35/391974235.db2.gz ZHBGUCITSZSMQV-QUBYGPBYSA-N 1 0 258.184 3.191 50 0 CGAARO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000072379964 392205534 /nfs/dbraw/zinc/20/55/34/392205534.db2.gz UTNRQTUQRNEXRV-LLVKDONJSA-N 1 0 261.756 3.197 50 0 CGAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1csc(C)n1 ZINC000076147601 392215528 /nfs/dbraw/zinc/21/55/28/392215528.db2.gz USSBERFJUZAGOK-RYUDHWBXSA-N 1 0 256.440 3.167 50 0 CGAARO Cc1n[nH]cc1C[NH2+]CCOc1ccc2ccccc2c1 ZINC000097159214 392260627 /nfs/dbraw/zinc/26/06/27/392260627.db2.gz LIMFDBMIKAKKEO-UHFFFAOYSA-N 1 0 281.359 3.040 50 0 CGAARO Cc1cccc(NC[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)[nH+]1 ZINC000097163418 392261910 /nfs/dbraw/zinc/26/19/10/392261910.db2.gz INURNGOGUWZDRO-MAUKXSAKSA-N 1 0 295.386 3.022 50 0 CGAARO CC[C@@H]([NH3+])c1ccc(OCC(F)(F)F)c(F)c1 ZINC000575436296 542763627 /nfs/dbraw/zinc/76/36/27/542763627.db2.gz DNBDUCJAIMBXRH-SECBINFHSA-N 1 0 251.223 3.177 50 0 CGAARO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000585090414 542768535 /nfs/dbraw/zinc/76/85/35/542768535.db2.gz LNIVRDRYEKANSY-JKSUJKDBSA-N 1 0 295.448 3.149 50 0 CGAARO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670437957 543154782 /nfs/dbraw/zinc/15/47/82/543154782.db2.gz KOXGDFYCFVCHCE-AWEZNQCLSA-N 1 0 289.810 3.453 50 0 CGAARO C[N@H+](Cc1cccc(O)c1Cl)CC1(CO)CCCC1 ZINC000670472868 543157188 /nfs/dbraw/zinc/15/71/88/543157188.db2.gz DLMKFGUZFRDYOL-UHFFFAOYSA-N 1 0 283.799 3.030 50 0 CGAARO C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000108459566 397653037 /nfs/dbraw/zinc/65/30/37/397653037.db2.gz FHSUABMMHNFSIB-IIAWOOMASA-N 1 0 279.399 3.288 50 0 CGAARO OC1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000090800666 165243129 /nfs/dbraw/zinc/24/31/29/165243129.db2.gz SLQVVKZSKSSBKE-YIZWMMSDSA-N 1 0 281.396 3.256 50 0 CGAARO COc1cc(CC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000002555441 169807800 /nfs/dbraw/zinc/80/78/00/169807800.db2.gz KQSOTECPELWSHB-UHFFFAOYSA-N 1 0 273.298 3.256 50 0 CGAARO Cc1sc2sc(-c3ccccc3)c(N)[n+]2c1C ZINC000004263158 169950361 /nfs/dbraw/zinc/95/03/61/169950361.db2.gz CFOLEXNPICFYOI-UHFFFAOYSA-N 1 0 261.395 3.414 50 0 CGAARO Cc1ccccc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004724500 170006284 /nfs/dbraw/zinc/00/62/84/170006284.db2.gz XHXLAZLJYDRIJF-KBPBESRZSA-N 1 0 274.408 3.302 50 0 CGAARO Cc1cccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004743732 170009864 /nfs/dbraw/zinc/00/98/64/170009864.db2.gz XOHVACMUFUTTHG-HUUCEWRRSA-N 1 0 274.408 3.302 50 0 CGAARO C[N@H+](Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000004745408 170010592 /nfs/dbraw/zinc/01/05/92/170010592.db2.gz NQVMXMIOFFPYBN-UHFFFAOYSA-N 1 0 298.386 3.016 50 0 CGAARO COc1cccc(OC)c1OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004837279 170026760 /nfs/dbraw/zinc/02/67/60/170026760.db2.gz SAPQUJLBCNFTLQ-OKILXGFUSA-N 1 0 293.407 3.061 50 0 CGAARO Cc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000004839990 170027360 /nfs/dbraw/zinc/02/73/60/170027360.db2.gz YFBQFDVSWGKQHX-UHFFFAOYSA-N 1 0 289.423 3.426 50 0 CGAARO CCCOc1ccccc1OCC[NH+]1CCCCC1 ZINC000004842346 170028536 /nfs/dbraw/zinc/02/85/36/170028536.db2.gz JPUNGWAFBHTFDT-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO COc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2ccccc21 ZINC000004899425 170037907 /nfs/dbraw/zinc/03/79/07/170037907.db2.gz MVVPAYGKZXZGRC-HNNXBMFYSA-N 1 0 286.375 3.160 50 0 in-vitro CGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000004990199 170050496 /nfs/dbraw/zinc/05/04/96/170050496.db2.gz GIBGRCULXLOSPB-QGZVFWFLSA-N 1 0 288.435 3.075 50 0 CGAARO Cc1cccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c12 ZINC000004993221 170051246 /nfs/dbraw/zinc/05/12/46/170051246.db2.gz PGDZCWFJXXHKPZ-UHFFFAOYSA-N 1 0 278.355 3.126 50 0 CGAARO C[C@H](c1ccccc1[C@H](O)c1ccccc1)[NH+](C)C ZINC000005008636 170054850 /nfs/dbraw/zinc/05/48/50/170054850.db2.gz LISUDWGNQOAYJR-CXAGYDPISA-N 1 0 255.361 3.391 50 0 CGAARO CC(C)(C)[C@H]([NH3+])C(O)(c1ccccc1)c1ccccc1 ZINC000005019734 170056636 /nfs/dbraw/zinc/05/66/36/170056636.db2.gz HZIHDWNOPKIOCK-INIZCTEOSA-N 1 0 269.388 3.296 50 0 CGAARO COCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006701963 170229781 /nfs/dbraw/zinc/22/97/81/170229781.db2.gz DZYDFQVWLZTERI-UHFFFAOYSA-N 1 0 289.350 3.141 50 0 CGAARO COc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386028 170281891 /nfs/dbraw/zinc/28/18/91/170281891.db2.gz RELAAWXYYQCVPO-MJBXVCDLSA-N 1 0 290.407 3.000 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000007981747 170311514 /nfs/dbraw/zinc/31/15/14/170311514.db2.gz QQPCDBSKBFYOKJ-UHFFFAOYSA-N 1 0 298.814 3.374 50 0 CGAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NC1CCCCC1 ZINC000008320600 170330803 /nfs/dbraw/zinc/33/08/03/170330803.db2.gz DKJSVYBVJBFIKR-CQSZACIVSA-N 1 0 292.448 3.334 50 0 CGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2)c1 ZINC000009156371 170365052 /nfs/dbraw/zinc/36/50/52/170365052.db2.gz GRSKKSLBFJIIMQ-CYBMUJFWSA-N 1 0 268.360 3.496 50 0 CGAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000014181504 170622173 /nfs/dbraw/zinc/62/21/73/170622173.db2.gz LSYHTVMRGVZMJY-UHFFFAOYSA-N 1 0 295.814 3.338 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000020419050 171184033 /nfs/dbraw/zinc/18/40/33/171184033.db2.gz CEIMNJLAYFXAQO-BLLLJJGKSA-N 1 0 259.324 3.037 50 0 CGAARO COCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876084 171277132 /nfs/dbraw/zinc/27/71/32/171277132.db2.gz VTXLMRZGQLFMMC-UHFFFAOYSA-N 1 0 265.740 3.336 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000035253088 172082673 /nfs/dbraw/zinc/08/26/73/172082673.db2.gz IUQODQJTTNFVBT-LLVKDONJSA-N 1 0 280.437 3.026 50 0 CGAARO C[C@H](Cc1ccco1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000035254730 172083867 /nfs/dbraw/zinc/08/38/67/172083867.db2.gz GVDRURLMXSTTCI-CQSZACIVSA-N 1 0 281.359 3.186 50 0 CGAARO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255498 173066284 /nfs/dbraw/zinc/06/62/84/173066284.db2.gz SEFXUGDSQDTBHK-RISCZKNCSA-N 1 0 280.799 3.447 50 0 CGAARO Cc1ccc(COc2ccc(C[C@H](C)[NH3+])cc2)cc1 ZINC000037723607 173642718 /nfs/dbraw/zinc/64/27/18/173642718.db2.gz SVYLWCUPMNLACC-AWEZNQCLSA-N 1 0 255.361 3.464 50 0 CGAARO CC(C)Oc1cccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000040153567 174195085 /nfs/dbraw/zinc/19/50/85/174195085.db2.gz UWVNGUXWFYOVCQ-MRXNPFEDSA-N 1 0 289.419 3.475 50 0 CGAARO COc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1OC ZINC000040444138 174264144 /nfs/dbraw/zinc/26/41/44/174264144.db2.gz AXMYAGNXWNONQF-NSHDSACASA-N 1 0 281.421 3.250 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)s2)cc1 ZINC000040488700 174290182 /nfs/dbraw/zinc/29/01/82/174290182.db2.gz UXUKYKNLSJXURP-UHFFFAOYSA-N 1 0 274.389 3.305 50 0 CGAARO Clc1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042771968 174871489 /nfs/dbraw/zinc/87/14/89/174871489.db2.gz IQCXFOUEEAYSNA-LBPRGKRZSA-N 1 0 253.773 3.246 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)s1 ZINC000065478905 175742170 /nfs/dbraw/zinc/74/21/70/175742170.db2.gz KCTJSOPAOUFCLC-GFCCVEGCSA-N 1 0 292.452 3.015 50 0 CGAARO CNC(=O)CC1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000065503401 175744735 /nfs/dbraw/zinc/74/47/35/175744735.db2.gz ZXQLIUJUWOVRSS-OAHLLOKOSA-N 1 0 288.435 3.028 50 0 CGAARO CSCc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cc(C)cn2)o1 ZINC000069538509 175838467 /nfs/dbraw/zinc/83/84/67/175838467.db2.gz PPQJFDAZMCWTDH-CHWSQXEVSA-N 1 0 293.436 3.387 50 0 CGAARO Oc1ccc(-c2cccc3c2CC[NH2+]C3)cc1-c1ccno1 ZINC000071756835 176260511 /nfs/dbraw/zinc/26/05/11/176260511.db2.gz LXUXGMUKSQAYAA-UHFFFAOYSA-N 1 0 292.338 3.360 50 0 CGAARO C[N@@H+](Cc1ccn(-c2ccccc2)n1)CC1CCCC1 ZINC000071811024 176267810 /nfs/dbraw/zinc/26/78/10/176267810.db2.gz NNPBKTVHGYALEA-UHFFFAOYSA-N 1 0 269.392 3.494 50 0 CGAARO Cc1cnc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)s1 ZINC000072376500 176385300 /nfs/dbraw/zinc/38/53/00/176385300.db2.gz JUJNRFMHSVIWJF-JTQLQIEISA-N 1 0 260.366 3.015 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC000048313907 416447544 /nfs/dbraw/zinc/44/75/44/416447544.db2.gz ARAWMLKFYKMVAO-NVXWUHKLSA-N 1 0 292.467 3.290 50 0 CGAARO CC[NH2+]Cc1cc(-c2ccc(Br)c(F)c2)n[nH]1 ZINC000725264774 544114094 /nfs/dbraw/zinc/11/40/94/544114094.db2.gz VPGIAHGGWQDTNI-UHFFFAOYSA-N 1 0 298.159 3.088 50 0 CGAARO CC(C)[C@H](C[NH2+][C@@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711984 419072483 /nfs/dbraw/zinc/07/24/83/419072483.db2.gz KVFBSYQUUQQHDJ-SJORKVTESA-N 1 0 298.434 3.444 50 0 CGAARO C[NH2+]CCCOc1c(C)cc(Br)cc1C ZINC000016293854 273960565 /nfs/dbraw/zinc/96/05/65/273960565.db2.gz IOPXJCHUVJINMI-UHFFFAOYSA-N 1 0 272.186 3.054 50 0 CGAARO C[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(Cl)cc1 ZINC000000311795 274224838 /nfs/dbraw/zinc/22/48/38/274224838.db2.gz RVHYXQDPSBHFRM-SWLSCSKDSA-N 1 0 283.799 3.124 50 0 CGAARO O=c1cc(C[NH+]2CCCCC2)c2cc3c(cc2o1)CCC3 ZINC000002115835 275043556 /nfs/dbraw/zinc/04/35/56/275043556.db2.gz NNOGOHWRRBOLTB-UHFFFAOYSA-N 1 0 283.371 3.268 50 0 biogenic CGAARO c1ccc(C[N@@H+]2C[C@H]3CNc4ccccc4[C@@H]3C2)cc1 ZINC000066354614 275067017 /nfs/dbraw/zinc/06/70/17/275067017.db2.gz APSFVWLHYYFSDW-NVXWUHKLSA-N 1 0 264.372 3.328 50 0 CGAARO c1ccc2c(c1)CSc1ccccc1[C@@H]2C1=[NH+]CCN1 ZINC000000346491 275070298 /nfs/dbraw/zinc/07/02/98/275070298.db2.gz HBQNDKWJHWTOSZ-MRXNPFEDSA-N 1 0 280.396 3.426 50 0 CGAARO c1cnn(CCC[NH+]2CCC3(CCc4ccccc43)CC2)c1 ZINC000244899601 275074285 /nfs/dbraw/zinc/07/42/85/275074285.db2.gz ZMRNGSVUAVYYRW-UHFFFAOYSA-N 1 0 295.430 3.253 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC=CC2)CC1 ZINC000167458873 275519491 /nfs/dbraw/zinc/51/94/91/275519491.db2.gz QMXAMOJZDATKKS-AWEZNQCLSA-N 1 0 280.412 3.084 50 0 CGAARO CC(C)(C)c1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000019918437 275536045 /nfs/dbraw/zinc/53/60/45/275536045.db2.gz OSUOZTFAIZVVCU-UHFFFAOYSA-N 1 0 261.409 3.377 50 0 CGAARO CN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095419519 277031691 /nfs/dbraw/zinc/03/16/91/277031691.db2.gz WPGSWYMBFGNGSG-INIZCTEOSA-N 1 0 286.419 3.117 50 0 CGAARO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000185082444 277950942 /nfs/dbraw/zinc/95/09/42/277950942.db2.gz AXWWYMRDKMIHOK-RHSMWYFYSA-N 1 0 269.392 3.459 50 0 CGAARO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000395323872 288008301 /nfs/dbraw/zinc/00/83/01/288008301.db2.gz NTHLHBFDYGWJRA-ZDUSSCGKSA-N 1 0 285.790 3.462 50 0 CGAARO C[C@@H](C[NH+](C)C)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000000056566 278240575 /nfs/dbraw/zinc/24/05/75/278240575.db2.gz INTCGJHAECYOBW-QFBILLFUSA-N 1 0 283.415 3.315 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013302846 278370224 /nfs/dbraw/zinc/37/02/24/278370224.db2.gz JDRMHRUCDHAVRN-SLTAFYQDSA-N 1 0 285.472 3.357 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1nccn1C ZINC000070443607 278383979 /nfs/dbraw/zinc/38/39/79/278383979.db2.gz QGSJQPGNXAKNEZ-DOMZBBRYSA-N 1 0 255.365 3.148 50 0 CGAARO C[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccsc2S1 ZINC000183578835 278498321 /nfs/dbraw/zinc/49/83/21/278498321.db2.gz SINFCWVGKJLFSX-KQXIARHKSA-N 1 0 281.446 3.200 50 0 CGAARO [NH3+]CCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008732970 303374180 /nfs/dbraw/zinc/37/41/80/303374180.db2.gz UTFNMTYPSDMMBT-UHFFFAOYSA-N 1 0 298.430 3.442 50 0 CGAARO O=C(NCCC[NH2+][C@@H]1CCCc2sccc21)C1CCC1 ZINC000090184103 303768745 /nfs/dbraw/zinc/76/87/45/303768745.db2.gz VZQPSMVZERLGBO-CQSZACIVSA-N 1 0 292.448 3.022 50 0 CGAARO CC(C)c1cc(CN[C@H](C)C[NH+]2CCCCCC2)no1 ZINC000534644113 328329599 /nfs/dbraw/zinc/32/95/99/328329599.db2.gz XFCCASYNOHHIAQ-CQSZACIVSA-N 1 0 279.428 3.152 50 0 CGAARO COC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534640385 328336131 /nfs/dbraw/zinc/33/61/31/328336131.db2.gz 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/nfs/dbraw/zinc/05/86/66/534058666.db2.gz JYZNLVDUMZTBML-BLLLJJGKSA-N 1 0 277.339 3.020 50 0 CGAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1c(C)noc1C ZINC000096441754 534094157 /nfs/dbraw/zinc/09/41/57/534094157.db2.gz CPKVBTLGXYSVEX-STQMWFEESA-N 1 0 254.399 3.007 50 0 CGAARO CC(C)c1cccc(OCCCC[NH+]2CCN(C)CC2)c1 ZINC000022037111 519843270 /nfs/dbraw/zinc/84/32/70/519843270.db2.gz WSTFMPPBCUTBIX-UHFFFAOYSA-N 1 0 290.451 3.216 50 0 CGAARO O=C(C1CCCCC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000066874799 526298375 /nfs/dbraw/zinc/29/83/75/526298375.db2.gz LEZBWSRFMBBEJC-UHFFFAOYSA-N 1 0 278.440 3.090 50 0 CGAARO Cc1cc([C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)[nH]n1 ZINC000084111413 567029745 /nfs/dbraw/zinc/02/97/45/567029745.db2.gz WIAVTJILLXLLLX-CYBMUJFWSA-N 1 0 296.374 3.239 50 0 CGAARO c1csc(-c2nnc(C[NH+]3C[C@@H]4CC=CC[C@H]4C3)o2)c1 ZINC000084445108 567030244 /nfs/dbraw/zinc/03/02/44/567030244.db2.gz OOYHSKJUMXOXQO-RYUDHWBXSA-N 1 0 287.388 3.196 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)[nH]n1 ZINC000084110839 567031206 /nfs/dbraw/zinc/03/12/06/567031206.db2.gz UHYRDCILNLILQG-ZFWWWQNUSA-N 1 0 270.380 3.054 50 0 CGAARO CC[C@H]1C=CC[N@@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000952973836 615877424 /nfs/dbraw/zinc/87/74/24/615877424.db2.gz BSVCPPCKXNPEIU-INIZCTEOSA-N 1 0 267.376 3.238 50 0 CGAARO C[NH+](C)CCOCCOc1ccccc1-c1ccccc1 ZINC000002825338 618609918 /nfs/dbraw/zinc/60/99/18/618609918.db2.gz ZGOMUTATTZSWNQ-UHFFFAOYSA-N 1 0 285.387 3.311 50 0 CGAARO CCCO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)C1 ZINC000244633174 619214976 /nfs/dbraw/zinc/21/49/76/619214976.db2.gz FYFKKXZFIHEWGF-ZWKOTPCHSA-N 1 0 288.435 3.156 50 0 CGAARO C/C=C(/F)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000888095579 619259060 /nfs/dbraw/zinc/25/90/60/619259060.db2.gz OHMHAMZYZBLYRN-UUILKARUSA-N 1 0 261.300 3.129 50 0 CGAARO CC[C@@H]1CCCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000150740499 622668681 /nfs/dbraw/zinc/66/86/81/622668681.db2.gz UUQPIEGETDFCPB-OAHLLOKOSA-N 1 0 299.418 3.051 50 0 CGAARO C/C=C/C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000095958150 640818010 /nfs/dbraw/zinc/81/80/10/640818010.db2.gz BEJSSQPWJDGUML-PSKZRQQASA-N 1 0 282.428 3.141 50 0 CGAARO C[C@H](C[NH+]1CCC(C)CC1)n1cnc2ccccc21 ZINC000020859610 641044880 /nfs/dbraw/zinc/04/48/80/641044880.db2.gz LMRYRLMJHIGNLR-CQSZACIVSA-N 1 0 257.381 3.329 50 0 CGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1CCC1 ZINC000043829447 798889526 /nfs/dbraw/zinc/88/95/26/798889526.db2.gz WAJSUKDPOQERAE-UHFFFAOYSA-N 1 0 258.365 3.021 50 0 CGAARO CO[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000581803508 799674091 /nfs/dbraw/zinc/67/40/91/799674091.db2.gz NHYOTMJCMHAXQT-QGZVFWFLSA-N 1 0 287.403 3.013 50 0 CGAARO Cc1ccc2c(cc(C[N@H+](C)[C@@H]3CCCC[C@@H]3O)n2C)c1 ZINC000823726766 800468843 /nfs/dbraw/zinc/46/88/43/800468843.db2.gz ILAGEKKTAJTJFI-MSOLQXFVSA-N 1 0 286.419 3.222 50 0 CGAARO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000952846109 800684832 /nfs/dbraw/zinc/68/48/32/800684832.db2.gz BHYKWBWRNFNZRK-RYUDHWBXSA-N 1 0 282.453 3.033 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]C1CSCCSC1 ZINC001506427458 927399410 /nfs/dbraw/zinc/39/94/10/927399410.db2.gz LRZWRMQQEWIMSN-CYBMUJFWSA-N 1 0 281.490 3.446 50 0 CGAARO c1ccc(N2CC[C@@H]([NH2+]CCSc3ccccn3)C2)cc1 ZINC001506401677 937989601 /nfs/dbraw/zinc/98/96/01/937989601.db2.gz FQQRVTPBHXQTOH-OAHLLOKOSA-N 1 0 299.443 3.042 50 0 CGAARO CC(C)[C@H](CNc1ncccc1Cl)[NH+]1CCCC1 ZINC001529104724 938070805 /nfs/dbraw/zinc/07/08/05/938070805.db2.gz SIJYTNMKHWPXAP-ZDUSSCGKSA-N 1 0 267.804 3.267 50 0 CGAARO C(=C/c1ccccc1)\C[NH2+]C1CSCCSC1 ZINC001529103575 938070816 /nfs/dbraw/zinc/07/08/16/938070816.db2.gz DOSXYZRNKJMBMZ-QPJJXVBHSA-N 1 0 265.447 3.138 50 0 CGAARO C[N@H+](Cc1cc(F)cc(F)c1F)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529185492 938071512 /nfs/dbraw/zinc/07/15/12/938071512.db2.gz NGGHSLSYZHELMK-IOQCUFBNSA-N 1 0 299.336 3.085 50 0 CGAARO Cc1nc(N(C)CC[C@H](C)[NH+]2CCCC2)ccc1Cl ZINC001529184659 938071696 /nfs/dbraw/zinc/07/16/96/938071696.db2.gz CFUNBNFWQLSVLE-LBPRGKRZSA-N 1 0 281.831 3.354 50 0 CGAARO CC[NH+](CC)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000095954725 185041986 /nfs/dbraw/zinc/04/19/86/185041986.db2.gz YGGZYSVRDIDREJ-GFCCVEGCSA-N 1 0 270.367 3.299 50 0 CGAARO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968675 185048044 /nfs/dbraw/zinc/04/80/44/185048044.db2.gz NCPNPNNHBYPELA-IUCAKERBSA-N 1 0 261.337 3.033 50 0 CGAARO Cc1nc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)cs1 ZINC000095978234 185052494 /nfs/dbraw/zinc/05/24/94/185052494.db2.gz NGAIPXGIYJYBHN-CABZTGNLSA-N 1 0 282.434 3.115 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000095985208 185055671 /nfs/dbraw/zinc/05/56/71/185055671.db2.gz SOFQYXCXNYYRAY-LBPRGKRZSA-N 1 0 296.374 3.328 50 0 CGAARO C[C@H]([NH2+]CCn1cccn1)c1ccc(-c2cccnc2)cc1 ZINC000095985863 185056191 /nfs/dbraw/zinc/05/61/91/185056191.db2.gz RGPPHXZMVUHKEK-HNNXBMFYSA-N 1 0 292.386 3.296 50 0 CGAARO Cc1ccccc1C1CC[NH+](CCCCCO)CC1 ZINC000096026589 185067643 /nfs/dbraw/zinc/06/76/43/185067643.db2.gz HDGWICFCYNXMNU-UHFFFAOYSA-N 1 0 261.409 3.337 50 0 CGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269282478 190483420 /nfs/dbraw/zinc/48/34/20/190483420.db2.gz REBCNNTZMDTJQA-SMDDNHRTSA-N 1 0 288.416 3.101 50 0 CGAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c2ccccc12 ZINC000000757368 344855826 /nfs/dbraw/zinc/85/58/26/344855826.db2.gz DOXPAVFHYLVJSZ-OAHLLOKOSA-N 1 0 285.387 3.195 50 0 CGAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000016310546 344886413 /nfs/dbraw/zinc/88/64/13/344886413.db2.gz DJNUOWBCMFAIHY-LPHOPBHVSA-N 1 0 281.399 3.416 50 0 CGAARO Cc1n[n+]2c(ncc3c2/C(=C/c2ccccc2)CC3)s1 ZINC000025502267 344903105 /nfs/dbraw/zinc/90/31/05/344903105.db2.gz UKEZHMZGSODNBI-UKTHLTGXSA-N 1 0 280.376 3.072 50 0 CGAARO C[N@H+](CCCN1CCOC1=O)Cc1cccc2ccccc21 ZINC000065950699 345281380 /nfs/dbraw/zinc/28/13/80/345281380.db2.gz QGYKKJSRCKYMSW-UHFFFAOYSA-N 1 0 298.386 3.114 50 0 CGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000076056406 345531476 /nfs/dbraw/zinc/53/14/76/345531476.db2.gz CYMWBKDKJFWEDU-VYDXJSESSA-N 1 0 288.435 3.230 50 0 CGAARO CSC1(C[NH2+]C[C@H](C)c2ccc(F)cc2)CCOCC1 ZINC000097231142 185568697 /nfs/dbraw/zinc/56/86/97/185568697.db2.gz QSXGEFLQBGLFOF-ZDUSSCGKSA-N 1 0 297.439 3.431 50 0 CGAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000191963211 346267087 /nfs/dbraw/zinc/26/70/87/346267087.db2.gz FESXXGANYOTDMQ-OAHLLOKOSA-N 1 0 299.418 3.180 50 0 CGAARO CC[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1F ZINC000195553456 346272727 /nfs/dbraw/zinc/27/27/27/346272727.db2.gz YMMQFQIATFFQTR-UONOGXRCSA-N 1 0 263.312 3.193 50 0 CGAARO CC[N@@H+]1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)[C@@H](C)C1 ZINC000195566484 346274119 /nfs/dbraw/zinc/27/41/19/346274119.db2.gz RCDQGAZSQPLMOW-XJKSGUPXSA-N 1 0 289.423 3.096 50 0 CGAARO Cc1ccccc1C[n+]1cnn(Cc2ccc(Cl)cc2)c1 ZINC000230519227 346321240 /nfs/dbraw/zinc/32/12/40/346321240.db2.gz BLXCCHKNJAAXKU-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO CCc1nnc(C[N@@H+]2C[C@@H](c3ccsc3)C[C@H]2C)o1 ZINC000247922785 346373177 /nfs/dbraw/zinc/37/31/77/346373177.db2.gz OILNIDJAEWZAIL-PWSUYJOCSA-N 1 0 277.393 3.072 50 0 CGAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)CC2CCCC2)CC1 ZINC000409421178 346605420 /nfs/dbraw/zinc/60/54/20/346605420.db2.gz WEACQYYKLTYEIK-UHFFFAOYSA-N 1 0 289.423 3.244 50 0 CGAARO Cc1nc([C@@H](C)[NH2+]C2CSCCSC2)c(C)s1 ZINC000584897787 346723070 /nfs/dbraw/zinc/72/30/70/346723070.db2.gz BFEAUPXOOHWVMZ-MRVPVSSYSA-N 1 0 288.507 3.259 50 0 CGAARO O=C1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CCN1CC1CC1 ZINC000584896523 346723126 /nfs/dbraw/zinc/72/31/26/346723126.db2.gz SPVNXGGKKTXQOF-KRWDZBQOSA-N 1 0 298.430 3.056 50 0 CGAARO OCc1ncccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000585133985 346724268 /nfs/dbraw/zinc/72/42/68/346724268.db2.gz UIHNKRKBEVKHFX-UHFFFAOYSA-N 1 0 282.387 3.227 50 0 CGAARO CC(C)CCCC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000585136145 346725282 /nfs/dbraw/zinc/72/52/82/346725282.db2.gz SSALGAPGWWHTDL-OAHLLOKOSA-N 1 0 290.455 3.230 50 0 CGAARO CC(C)[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1 ZINC000091339377 180136351 /nfs/dbraw/zinc/13/63/51/180136351.db2.gz COSWEFZIUUNWHI-KRWDZBQOSA-N 1 0 290.451 3.084 50 0 CGAARO Cc1ccc2c(cc(C[N@@H+]3CC[C@](C)(O)[C@H](C)C3)n2C)c1 ZINC000091877063 180279098 /nfs/dbraw/zinc/27/90/98/180279098.db2.gz QSSNMOVDRUPRNH-KDOFPFPSSA-N 1 0 286.419 3.080 50 0 CGAARO CCOc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000155194249 188189067 /nfs/dbraw/zinc/18/90/67/188189067.db2.gz CHUVBLNNTKOYIY-UHFFFAOYSA-N 1 0 299.418 3.194 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH2+]C2CCCC2)ccc1C(C)C ZINC000002701427 169821042 /nfs/dbraw/zinc/82/10/42/169821042.db2.gz RTCIIGBMHHHVHE-INIZCTEOSA-N 1 0 291.435 3.390 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2cnn(C)c2)c2ccccc12 ZINC000119731416 370702525 /nfs/dbraw/zinc/70/25/25/370702525.db2.gz HUAXABSICZLTEC-UHFFFAOYSA-N 1 0 295.386 3.214 50 0 CGAARO COc1ccccc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000000240193 368321516 /nfs/dbraw/zinc/32/15/16/368321516.db2.gz ZGUNLOZXOZVAKX-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO FC(F)(F)c1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000000154376 368304752 /nfs/dbraw/zinc/30/47/52/368304752.db2.gz FUFZNHHSSMCXCZ-UHFFFAOYSA-N 1 0 297.280 3.222 50 0 CGAARO COc1cccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000000176491 368309643 /nfs/dbraw/zinc/30/96/43/368309643.db2.gz QFJXJGIGYUGIJX-KBPBESRZSA-N 1 0 290.407 3.002 50 0 CGAARO c1c(-c2ccccc2)n2c([n+]1Cc1ccccc1)CCC2 ZINC000000388799 368355483 /nfs/dbraw/zinc/35/54/83/368355483.db2.gz GWUQGOSRMMYOGC-UHFFFAOYSA-N 1 0 275.375 3.437 50 0 CGAARO Cc1cccc(Cl)c1NC(=O)C[C@H](C)[NH+]1CCCC1 ZINC000000394452 368356394 /nfs/dbraw/zinc/35/63/94/368356394.db2.gz XBJKYRAEEGVECH-LBPRGKRZSA-N 1 0 280.799 3.461 50 0 CGAARO C[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1 ZINC000000409398 368360028 /nfs/dbraw/zinc/36/00/28/368360028.db2.gz LNCWFHRJTAQGBG-UHFFFAOYSA-N 1 0 253.345 3.391 50 0 CGAARO CC[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(OC)cc1 ZINC000000425596 368362065 /nfs/dbraw/zinc/36/20/65/368362065.db2.gz DXEAFQRYDYBYAS-LLVKDONJSA-N 1 0 297.362 3.035 50 0 CGAARO O[C@@]1(c2ccccc2)Cc2cccc[n+]2[C@H]1c1ccccc1 ZINC000001293935 368405495 /nfs/dbraw/zinc/40/54/95/368405495.db2.gz VFMVDWUMTCHNKD-VQTJNVASSA-N 1 0 288.370 3.007 50 0 CGAARO OCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000002178084 368448336 /nfs/dbraw/zinc/44/83/36/368448336.db2.gz RTGJDXIYDJDCFJ-UHFFFAOYSA-N 1 0 285.387 3.128 50 0 CGAARO CCCCOc1cccc(C[NH2+]CCCOCC)c1 ZINC000002923962 368486128 /nfs/dbraw/zinc/48/61/28/368486128.db2.gz BFNNGWHPWXQQQB-UHFFFAOYSA-N 1 0 265.397 3.382 50 0 CGAARO CCCC[NH2+]CCCOc1ccc(OCC)cc1 ZINC000003000541 368487852 /nfs/dbraw/zinc/48/78/52/368487852.db2.gz KTNWYUDOBPGBHG-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO CCCC[N@H+](C)CCOc1ccccc1OCC ZINC000003000608 368487999 /nfs/dbraw/zinc/48/79/99/368487999.db2.gz OAYLZHOWNGBAPB-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO COc1cc(C[NH2+]CC(C)C)cc(Cl)c1OC ZINC000004657515 368554359 /nfs/dbraw/zinc/55/43/59/368554359.db2.gz XCPHMEPHYKQJSM-UHFFFAOYSA-N 1 0 257.761 3.103 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004774891 368558687 /nfs/dbraw/zinc/55/86/87/368558687.db2.gz RDQTZDVYXYUELL-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO Clc1ccc2sc(C3CC[NH2+]CC3)nc2c1 ZINC000004219235 368536908 /nfs/dbraw/zinc/53/69/08/368536908.db2.gz RJJINACFKMZRQI-UHFFFAOYSA-N 1 0 252.770 3.417 50 0 CGAARO CCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000010474467 368582238 /nfs/dbraw/zinc/58/22/38/368582238.db2.gz VWALHGHITFHASY-GFCCVEGCSA-N 1 0 269.772 3.007 50 0 CGAARO CCOc1cc(C[NH2+]C(C)C)cc(Cl)c1OC ZINC000010435756 368582726 /nfs/dbraw/zinc/58/27/26/368582726.db2.gz KUYNNXIGXIYWRS-UHFFFAOYSA-N 1 0 257.761 3.245 50 0 CGAARO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)o1 ZINC000011503163 368591963 /nfs/dbraw/zinc/59/19/63/368591963.db2.gz WYMJBKOBCJDZAX-BLLLJJGKSA-N 1 0 298.386 3.134 50 0 CGAARO FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]C3CCC3)C2)nc1 ZINC000011661117 368593244 /nfs/dbraw/zinc/59/32/44/368593244.db2.gz HXOAMHHVWJIOHO-CYBMUJFWSA-N 1 0 299.340 3.211 50 0 CGAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000011878701 368598592 /nfs/dbraw/zinc/59/85/92/368598592.db2.gz HDAFYYCSXWCGCL-PRWGNSRSSA-N 1 0 292.467 3.313 50 0 CGAARO COc1ccc(C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000012113920 368603810 /nfs/dbraw/zinc/60/38/10/368603810.db2.gz ZRRBYMNADDPIJO-UHFFFAOYSA-N 1 0 282.387 3.470 50 0 CGAARO O=Cc1cccc(CC[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000012336684 368608110 /nfs/dbraw/zinc/60/81/10/368608110.db2.gz GLQWIAKPLYCPDZ-UHFFFAOYSA-N 1 0 285.309 3.316 50 0 CGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(C)cc1)C2 ZINC000015063739 368689976 /nfs/dbraw/zinc/68/99/76/368689976.db2.gz AWROGUBVSNSTLG-MRXNPFEDSA-N 1 0 283.371 3.097 50 0 CGAARO c1ccc(-c2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631739 368683236 /nfs/dbraw/zinc/68/32/36/368683236.db2.gz YKKKYLQESSTGSD-KRWDZBQOSA-N 1 0 253.345 3.484 50 0 CGAARO CC[NH+](CC)CCN(C)[C@H](C)Cc1ccccc1F ZINC000019609087 368758797 /nfs/dbraw/zinc/75/87/97/368758797.db2.gz ROXRGXOCHVWASA-CQSZACIVSA-N 1 0 266.404 3.030 50 0 CGAARO COCCC[NH2+]C[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019738585 368762481 /nfs/dbraw/zinc/76/24/81/368762481.db2.gz XGDVYWILSGQFFT-CQSZACIVSA-N 1 0 279.424 3.378 50 0 CGAARO Clc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000019787199 368765891 /nfs/dbraw/zinc/76/58/91/368765891.db2.gz PXQKAYIIJFWUCX-UHFFFAOYSA-N 1 0 289.762 3.401 50 0 CGAARO Cc1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019889602 368776099 /nfs/dbraw/zinc/77/60/99/368776099.db2.gz KZHBJRLICVDYMK-UHFFFAOYSA-N 1 0 272.436 3.445 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019841301 368771861 /nfs/dbraw/zinc/77/18/61/368771861.db2.gz SLJCPMCDHONHCN-UHFFFAOYSA-N 1 0 277.314 3.306 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019361460 368749407 /nfs/dbraw/zinc/74/94/07/368749407.db2.gz UTHIBHIJHTYMFE-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO C[N@@H+]1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019537499 368757114 /nfs/dbraw/zinc/75/71/14/368757114.db2.gz YSOHJVUYIHLGFD-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO CCCCCCOc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019633120 368757871 /nfs/dbraw/zinc/75/78/71/368757871.db2.gz WMCOBGJXXFYVRA-UHFFFAOYSA-N 1 0 290.451 3.393 50 0 CGAARO Cc1cnc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)s1 ZINC000023231461 368818547 /nfs/dbraw/zinc/81/85/47/368818547.db2.gz XKFLBUJYAAEKHS-VIFPVBQESA-N 1 0 293.417 3.190 50 0 CGAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000023280710 368818977 /nfs/dbraw/zinc/81/89/77/368818977.db2.gz RQZYSOXLIQYOMC-SMDDNHRTSA-N 1 0 287.325 3.093 50 0 CGAARO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000023281458 368820395 /nfs/dbraw/zinc/82/03/95/368820395.db2.gz GCANELQTSDSUOB-KBPBESRZSA-N 1 0 285.387 3.458 50 0 CGAARO FC(F)(F)c1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000019906758 368780846 /nfs/dbraw/zinc/78/08/46/368780846.db2.gz PMSIFDQDPDIBIG-UHFFFAOYSA-N 1 0 266.266 3.390 50 0 CGAARO COc1ccc(C[NH2+]C2CCC(C)CC2)c(OC)c1 ZINC000019917775 368783540 /nfs/dbraw/zinc/78/35/40/368783540.db2.gz MUGQTCUIXWMZJP-UHFFFAOYSA-N 1 0 263.381 3.372 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1OC ZINC000019944899 368787641 /nfs/dbraw/zinc/78/76/41/368787641.db2.gz HKYFXKXOMGYHRZ-OCCSQVGLSA-N 1 0 263.381 3.372 50 0 CGAARO Brc1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000028522190 368885917 /nfs/dbraw/zinc/88/59/17/368885917.db2.gz KXLVPMIUVBLDFG-AWEZNQCLSA-N 1 0 298.224 3.498 50 0 CGAARO CC[NH+]1CCN(Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC000034669376 368976589 /nfs/dbraw/zinc/97/65/89/368976589.db2.gz WZCVWGCGKYLETA-UHFFFAOYSA-N 1 0 299.393 3.025 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CC2(C)CC2)c(C)c1 ZINC000032578226 368936130 /nfs/dbraw/zinc/93/61/30/368936130.db2.gz NXUOFEBMOXRXAC-CVEARBPZSA-N 1 0 291.435 3.211 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000032850954 368948446 /nfs/dbraw/zinc/94/84/46/368948446.db2.gz OLTABCHQMDPPOP-CYBMUJFWSA-N 1 0 282.387 3.199 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000033040226 368956524 /nfs/dbraw/zinc/95/65/24/368956524.db2.gz LWZIQOZBSUKGMK-CQSZACIVSA-N 1 0 298.386 3.120 50 0 CGAARO [NH3+][C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000033427050 368965475 /nfs/dbraw/zinc/96/54/75/368965475.db2.gz SGWBRVIWOWPQCE-CYBMUJFWSA-N 1 0 254.333 3.016 50 0 CGAARO Cc1cccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000035259879 369003110 /nfs/dbraw/zinc/00/31/10/369003110.db2.gz BCOZOJBJYDEELL-UHFFFAOYSA-N 1 0 295.386 3.245 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097750 369008806 /nfs/dbraw/zinc/00/88/06/369008806.db2.gz SVAVLMQWJIUPBU-ZFWWWQNUSA-N 1 0 297.439 3.365 50 0 CGAARO Clc1ccc(OC2C[NH2+]C2)c(Cc2ccccc2)c1 ZINC000042770082 369231079 /nfs/dbraw/zinc/23/10/79/369231079.db2.gz MZRZFPZTJJTRMI-UHFFFAOYSA-N 1 0 273.763 3.281 50 0 CGAARO C[C@H]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909378 369238362 /nfs/dbraw/zinc/23/83/62/369238362.db2.gz WKPOSZGQMCFYAJ-STQMWFEESA-N 1 0 295.471 3.174 50 0 CGAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000049595411 369412462 /nfs/dbraw/zinc/41/24/62/369412462.db2.gz JOGBIPHDSPEGHJ-SNVBAGLBSA-N 1 0 254.171 3.433 50 0 CGAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccnc1 ZINC000055108666 369511221 /nfs/dbraw/zinc/51/12/21/369511221.db2.gz JKIVGWVGGDLNQM-UHFFFAOYSA-N 1 0 289.448 3.015 50 0 CGAARO Cc1cccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000055543413 369518536 /nfs/dbraw/zinc/51/85/36/369518536.db2.gz XBNKQBFVIMHWJI-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccc(OC)nc1 ZINC000055576476 369520746 /nfs/dbraw/zinc/52/07/46/369520746.db2.gz XBFNODGJMUCOBM-CQSZACIVSA-N 1 0 285.391 3.286 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)cc1Cl ZINC000058055559 369553314 /nfs/dbraw/zinc/55/33/14/369553314.db2.gz MVRWXJJCOQCGTD-NSHDSACASA-N 1 0 280.799 3.317 50 0 CGAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000058160875 369555677 /nfs/dbraw/zinc/55/56/77/369555677.db2.gz UYKUIOXUETUPIK-AWEZNQCLSA-N 1 0 298.386 3.293 50 0 CGAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000058271196 369562184 /nfs/dbraw/zinc/56/21/84/369562184.db2.gz ASQSWICOWUXMKR-STQMWFEESA-N 1 0 294.826 3.077 50 0 CGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000058379693 369566357 /nfs/dbraw/zinc/56/63/57/369566357.db2.gz YFKJYKKFXLCHRK-KRWDZBQOSA-N 1 0 298.434 3.035 50 0 CGAARO CCC(CC)[NH2+][C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000065370550 369669355 /nfs/dbraw/zinc/66/93/55/369669355.db2.gz JLNKKRUFPWXZNP-CYBMUJFWSA-N 1 0 280.437 3.131 50 0 CGAARO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000064411735 369653168 /nfs/dbraw/zinc/65/31/68/369653168.db2.gz RFQILQXFOGTLIB-UHFFFAOYSA-N 1 0 297.402 3.356 50 0 CGAARO CCC(CC)[NH2+][C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000065370551 369668786 /nfs/dbraw/zinc/66/87/86/369668786.db2.gz JLNKKRUFPWXZNP-ZDUSSCGKSA-N 1 0 280.437 3.131 50 0 CGAARO c1cc(C2CC[NH+](C3CSCCSC3)CC2)ccn1 ZINC000065421991 369675829 /nfs/dbraw/zinc/67/58/29/369675829.db2.gz IIKORIVBDSUBFX-UHFFFAOYSA-N 1 0 294.489 3.110 50 0 CGAARO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cn2ccccc2n1 ZINC000065455901 369677206 /nfs/dbraw/zinc/67/72/06/369677206.db2.gz JJZBWPMPNSVXCH-CYBMUJFWSA-N 1 0 283.350 3.194 50 0 CGAARO Cn1cc(C2=CC[N@H+](CCSc3ccccc3)CC2)cn1 ZINC000065490616 369679308 /nfs/dbraw/zinc/67/93/08/369679308.db2.gz QMZVVFIZHJUMPN-UHFFFAOYSA-N 1 0 299.443 3.302 50 0 CGAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)[C@H](C)n1cccn1 ZINC000069368949 369757825 /nfs/dbraw/zinc/75/78/25/369757825.db2.gz QWOVXFZVHWCOLG-KGLIPLIRSA-N 1 0 295.390 3.013 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cc3ccccc3o2)c1 ZINC000069560294 369763291 /nfs/dbraw/zinc/76/32/91/369763291.db2.gz ACGQBHYESZBBFN-ZDUSSCGKSA-N 1 0 269.348 3.116 50 0 CGAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]CC1CCCCC1)CC2 ZINC000069565223 369763690 /nfs/dbraw/zinc/76/36/90/369763690.db2.gz FENRNVHENVDEDW-OAHLLOKOSA-N 1 0 290.455 3.134 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000069597237 369765376 /nfs/dbraw/zinc/76/53/76/369765376.db2.gz KCKYRSKPPJTFQJ-QWRGUYRKSA-N 1 0 298.839 3.100 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069655286 369766118 /nfs/dbraw/zinc/76/61/18/369766118.db2.gz REZJEVWZGQDAMS-CQSZACIVSA-N 1 0 296.374 3.025 50 0 CGAARO Cc1nc(Cl)cc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072343860 369817893 /nfs/dbraw/zinc/81/78/93/369817893.db2.gz RJQGAJSJSMTNJW-LLVKDONJSA-N 1 0 253.777 3.026 50 0 CGAARO C[NH+](C)Cc1ccccc1Cn1ccnc1-c1ccncc1 ZINC000072463037 369820766 /nfs/dbraw/zinc/82/07/66/369820766.db2.gz RSURCTVRCTVLRJ-UHFFFAOYSA-N 1 0 292.386 3.055 50 0 CGAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000072440047 369821401 /nfs/dbraw/zinc/82/14/01/369821401.db2.gz RVCPMJGXZVHVCD-SFHVURJKSA-N 1 0 283.419 3.407 50 0 CGAARO CC[C@@H]1C[N@H+](Cc2ccc(CCC(C)(C)O)cc2)CCO1 ZINC000072478126 369822559 /nfs/dbraw/zinc/82/25/59/369822559.db2.gz DKGUYFMOZSAHMS-QGZVFWFLSA-N 1 0 291.435 3.001 50 0 CGAARO Cc1cccc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000072478949 369822770 /nfs/dbraw/zinc/82/27/70/369822770.db2.gz UEIRYOPILXFYNZ-HNNXBMFYSA-N 1 0 255.365 3.098 50 0 CGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1 ZINC000069918183 369775339 /nfs/dbraw/zinc/77/53/39/369775339.db2.gz MIBODEGESIWBHX-INIZCTEOSA-N 1 0 283.375 3.180 50 0 CGAARO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)nc2)C1 ZINC000075921288 369922254 /nfs/dbraw/zinc/92/22/54/369922254.db2.gz ZKWKUCCKOHWCBC-RYUDHWBXSA-N 1 0 270.829 3.451 50 0 CGAARO C[C@H]1CC[C@H](CCC(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000076082716 369928738 /nfs/dbraw/zinc/92/87/38/369928738.db2.gz UYCROCRPUFDCFX-XJKSGUPXSA-N 1 0 290.407 3.034 50 0 CGAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCCCO)c1 ZINC000083925551 370010443 /nfs/dbraw/zinc/01/04/43/370010443.db2.gz RIBJKKJQUBDZQH-INIZCTEOSA-N 1 0 293.407 3.003 50 0 CGAARO CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000089725240 370046280 /nfs/dbraw/zinc/04/62/80/370046280.db2.gz CWCLKTOGQBWAFE-GFCCVEGCSA-N 1 0 282.453 3.178 50 0 CGAARO [NH3+][C@@H]1CCC[C@H](c2nc(C3CCCCCC3)no2)C1 ZINC000087945565 370029924 /nfs/dbraw/zinc/02/99/24/370029924.db2.gz RFIBPDJUEYYACE-QWHCGFSZSA-N 1 0 263.385 3.492 50 0 CGAARO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000089632310 370044479 /nfs/dbraw/zinc/04/44/79/370044479.db2.gz OXJQLJMRKNZMDA-SFHVURJKSA-N 1 0 289.419 3.155 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC000090221530 370058979 /nfs/dbraw/zinc/05/89/79/370058979.db2.gz IKFRDASQWWKOIV-ZMZPIMSZSA-N 1 0 279.430 3.336 50 0 CGAARO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521418 370061586 /nfs/dbraw/zinc/06/15/86/370061586.db2.gz RZNLSORPQKBZDN-RHSMWYFYSA-N 1 0 287.407 3.157 50 0 CGAARO C1=C(CC[NH2+]C2CCN(Cc3cccnc3)CC2)CCC1 ZINC000090798337 370069879 /nfs/dbraw/zinc/06/98/79/370069879.db2.gz ZOSCZYQOFAPSEY-UHFFFAOYSA-N 1 0 285.435 3.136 50 0 CGAARO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000090801369 370070408 /nfs/dbraw/zinc/07/04/08/370070408.db2.gz IFTSSXOLONOSKT-UONOGXRCSA-N 1 0 293.480 3.170 50 0 CGAARO CC1(C)CCC(C[NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000089919232 370050810 /nfs/dbraw/zinc/05/08/10/370050810.db2.gz IMUSJQOJRDAJRR-UHFFFAOYSA-N 1 0 288.435 3.222 50 0 CGAARO COC[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000093337527 370118411 /nfs/dbraw/zinc/11/84/11/370118411.db2.gz LTEYBDLRDJWGIA-ZDUSSCGKSA-N 1 0 259.349 3.291 50 0 CGAARO COc1ccc(SCCC[NH+]2CCCC2)cc1 ZINC000097105229 370225777 /nfs/dbraw/zinc/22/57/77/370225777.db2.gz HSENGIMEGUEUIS-UHFFFAOYSA-N 1 0 251.395 3.273 50 0 CGAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202886 370232708 /nfs/dbraw/zinc/23/27/08/370232708.db2.gz RHGGOWAYYWFRHB-GFCCVEGCSA-N 1 0 273.355 3.489 50 0 CGAARO C[C@H](Cc1ccc2ccccc2c1)[NH2+]C1CCN(C)CC1 ZINC000095421504 370187717 /nfs/dbraw/zinc/18/77/17/370187717.db2.gz WKGAYTTYEGQOFR-OAHLLOKOSA-N 1 0 282.431 3.455 50 0 CGAARO C[C@@H](Cc1ccc2ccccc2c1)[NH2+]C1CCN(C)CC1 ZINC000095421503 370187850 /nfs/dbraw/zinc/18/78/50/370187850.db2.gz WKGAYTTYEGQOFR-HNNXBMFYSA-N 1 0 282.431 3.455 50 0 CGAARO Cc1csc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC000095448878 370195576 /nfs/dbraw/zinc/19/55/76/370195576.db2.gz KFOQVVLTIVLZPO-YGRLFVJLSA-N 1 0 294.395 3.192 50 0 CGAARO Cc1cccc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)c1C ZINC000095989197 370202275 /nfs/dbraw/zinc/20/22/75/370202275.db2.gz NSWQEGAOMMSMHK-KRWDZBQOSA-N 1 0 289.419 3.469 50 0 CGAARO C[C@@H](c1cccc(-c2csc(C(N)=O)c2)c1)[NH+](C)C ZINC000096138066 370204441 /nfs/dbraw/zinc/20/44/41/370204441.db2.gz LLDRWVCNDHURRY-JTQLQIEISA-N 1 0 274.389 3.137 50 0 CGAARO C/C=C(\C)C[N@@H+]1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1 ZINC000096163151 370205998 /nfs/dbraw/zinc/20/59/98/370205998.db2.gz JNWPJKMCEYEKIA-YIXHJXPBSA-N 1 0 297.402 3.410 50 0 CGAARO [NH3+]C[C@@H](Nc1ccc(Cl)cn1)C1CCCCC1 ZINC000130847799 371063879 /nfs/dbraw/zinc/06/38/79/371063879.db2.gz XSTOZKPXQVYZJE-GFCCVEGCSA-N 1 0 253.777 3.055 50 0 CGAARO CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000170625050 372643260 /nfs/dbraw/zinc/64/32/60/372643260.db2.gz VMEBZONBCVZZPH-XHSDSOJGSA-N 1 0 280.456 3.146 50 0 CGAARO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000170621840 372643536 /nfs/dbraw/zinc/64/35/36/372643536.db2.gz ZLFWIBYNFALAQH-CYBMUJFWSA-N 1 0 288.391 3.092 50 0 CGAARO CC[N@H+](CCN[C@H](C)c1ccc2ccccc2n1)C1CC1 ZINC000170669947 372648372 /nfs/dbraw/zinc/64/83/72/372648372.db2.gz XDUABQPQNAFBPG-CQSZACIVSA-N 1 0 283.419 3.370 50 0 CGAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000065288594 541888111 /nfs/dbraw/zinc/88/81/11/541888111.db2.gz MWMUMFBVAXSEQH-INIZCTEOSA-N 1 0 288.416 3.089 50 0 CGAARO Cc1n[nH]c(C)c1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000299764879 373610383 /nfs/dbraw/zinc/61/03/83/373610383.db2.gz VEJNYXFZUKIKPU-HNNXBMFYSA-N 1 0 287.382 3.198 50 0 CGAARO CC[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000178712484 373805748 /nfs/dbraw/zinc/80/57/48/373805748.db2.gz LVZXLJLUSRYIOD-KXBFYZLASA-N 1 0 299.414 3.379 50 0 CGAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCCn3cccn3)c2C1 ZINC000179828199 373921846 /nfs/dbraw/zinc/92/18/46/373921846.db2.gz OSHUXGVGKOIMKR-HNNXBMFYSA-N 1 0 298.434 3.355 50 0 CGAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(C2CCC2)o1 ZINC000075838232 541909657 /nfs/dbraw/zinc/90/96/57/541909657.db2.gz DSMDHPVUAWZQQN-BNOWGMLFSA-N 1 0 275.396 3.490 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)c3cccnc3)C2)[nH]n1 ZINC000076059664 541911110 /nfs/dbraw/zinc/91/11/10/541911110.db2.gz QDXQPMPUZOURIP-ZFWWWQNUSA-N 1 0 270.380 3.054 50 0 CGAARO O=C1NC(=O)[C@]2(CCC[C@H]2C[NH2+]C2CCCCCCC2)N1 ZINC000328595654 374368492 /nfs/dbraw/zinc/36/84/92/374368492.db2.gz ZVORMGMLWQCCHT-BLLLJJGKSA-N 1 0 293.411 3.112 50 0 CGAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000085334391 541936520 /nfs/dbraw/zinc/93/65/20/541936520.db2.gz HOYWQDUDOWLMHA-FUHWJXTLSA-N 1 0 297.329 3.320 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1 ZINC000090454866 541962076 /nfs/dbraw/zinc/96/20/76/541962076.db2.gz IWTUHNQUSMHJAX-BXUZGUMPSA-N 1 0 281.359 3.364 50 0 CGAARO C[C@H](COc1ccc(F)cc1)[NH2+][C@H](C)c1cccnc1 ZINC000092740242 541977781 /nfs/dbraw/zinc/97/77/81/541977781.db2.gz ZXXBCWJVCBDXTA-CHWSQXEVSA-N 1 0 274.339 3.339 50 0 CGAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CCCc2occc21 ZINC000192968102 375810655 /nfs/dbraw/zinc/81/06/55/375810655.db2.gz FDXMKCXODCSMOY-MRVWCRGKSA-N 1 0 275.348 3.352 50 0 CGAARO c1coc([C@H]2[N@H+](CCc3ccncc3)CC23CCOCC3)c1 ZINC000521398728 375875235 /nfs/dbraw/zinc/87/52/35/375875235.db2.gz MOKTXRNPZPUEMJ-QGZVFWFLSA-N 1 0 298.386 3.071 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@H](CO)C(C)(C)C)ccc2n1 ZINC000194632718 376027618 /nfs/dbraw/zinc/02/76/18/376027618.db2.gz YOEZQSHQUAOKFJ-MRXNPFEDSA-N 1 0 272.392 3.040 50 0 CGAARO c1cc(C2CCCC2)sc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000215324482 376146330 /nfs/dbraw/zinc/14/63/30/376146330.db2.gz BQNQDHMJPILCHG-OKILXGFUSA-N 1 0 276.449 3.057 50 0 CGAARO CCc1ccc(C[N@H+](C)[C@@H](C)c2ccncn2)cc1 ZINC000215335504 376147653 /nfs/dbraw/zinc/14/76/53/376147653.db2.gz XYYNAORKCLHPFJ-ZDUSSCGKSA-N 1 0 255.365 3.232 50 0 CGAARO C[NH+](C)CC[C@H]1CCCCN1Cc1ccc(Cl)o1 ZINC000215866089 376152283 /nfs/dbraw/zinc/15/22/83/376152283.db2.gz FZLIFZGPGADKSR-GFCCVEGCSA-N 1 0 270.804 3.239 50 0 CGAARO CS[C@@H](C)CC[N@H+](C)Cc1cc(C(C)C)no1 ZINC000215960450 376154506 /nfs/dbraw/zinc/15/45/06/376154506.db2.gz DUWYJEOMWSSOEP-NSHDSACASA-N 1 0 256.415 3.371 50 0 CGAARO COC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1-n1cccn1 ZINC000215919250 376155346 /nfs/dbraw/zinc/15/53/46/376155346.db2.gz KFPHAEYSSHERHN-KRWDZBQOSA-N 1 0 299.418 3.100 50 0 CGAARO CCCn1ncc(CN(C)[C@@H](C)c2cccnc2)c1C ZINC000216157426 376158299 /nfs/dbraw/zinc/15/82/99/376158299.db2.gz LXVVKIPCIDKRNR-ZDUSSCGKSA-N 1 0 272.396 3.190 50 0 CGAARO C[C@@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000222126380 376229590 /nfs/dbraw/zinc/22/95/90/376229590.db2.gz CADOTINMNIQEPF-MAUKXSAKSA-N 1 0 282.387 3.338 50 0 CGAARO COC(=O)CC1(C[N@H+](C)C2CCCCCCC2)CC1 ZINC000225636849 376319930 /nfs/dbraw/zinc/31/99/30/376319930.db2.gz SZUJFUXWADRXCX-UHFFFAOYSA-N 1 0 267.413 3.374 50 0 CGAARO Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000230165572 376493007 /nfs/dbraw/zinc/49/30/07/376493007.db2.gz MFQLFQSPNIRQRK-BEFAXECRSA-N 1 0 295.430 3.000 50 0 CGAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237580423 376751108 /nfs/dbraw/zinc/75/11/08/376751108.db2.gz OONKTZZHPYQJPQ-ZIAGYGMSSA-N 1 0 298.386 3.065 50 0 CGAARO CN(CCn1ccc2ccccc21)Cc1nccn1C1CC1 ZINC000244795617 376795871 /nfs/dbraw/zinc/79/58/71/376795871.db2.gz RKANVIAQRGRRNW-UHFFFAOYSA-N 1 0 294.402 3.305 50 0 CGAARO COc1cccc([C@@H]2CCCC[N@@H+]2CCn2ccnc2C)c1 ZINC000244811555 376799962 /nfs/dbraw/zinc/79/99/62/376799962.db2.gz SGTFOBQDUYBYDL-SFHVURJKSA-N 1 0 299.418 3.427 50 0 CGAARO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000248743969 377393938 /nfs/dbraw/zinc/39/39/38/377393938.db2.gz RRERBEUAHDSFNS-OBCWZRDOSA-N 1 0 292.448 3.368 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000252452286 377623702 /nfs/dbraw/zinc/62/37/02/377623702.db2.gz ARAWMLKFYKMVAO-WBVHZDCISA-N 1 0 292.467 3.290 50 0 CGAARO COc1cc([C@H](C)[NH2+]C[C@@H](C)c2nccs2)ccn1 ZINC000252488964 377630871 /nfs/dbraw/zinc/63/08/71/377630871.db2.gz JCYQRLZKOKPNKB-MNOVXSKESA-N 1 0 277.393 3.001 50 0 CGAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1O ZINC000252512082 377636336 /nfs/dbraw/zinc/63/63/36/377636336.db2.gz MGJZOEVWELQRCB-ZIAGYGMSSA-N 1 0 294.464 3.249 50 0 CGAARO COC(=O)CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000252536465 377639301 /nfs/dbraw/zinc/63/93/01/377639301.db2.gz IQSOHEAANWUYKH-DOTOQJQBSA-N 1 0 289.419 3.455 50 0 CGAARO COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)s1 ZINC000253370757 377686077 /nfs/dbraw/zinc/68/60/77/377686077.db2.gz VPHZXMULYBYNDB-MDZLAQPJSA-N 1 0 282.453 3.480 50 0 CGAARO Fc1ccc(/C=C\C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000255119794 377734574 /nfs/dbraw/zinc/73/45/74/377734574.db2.gz FFCZFXVVVCFKIB-AYYPDYFKSA-N 1 0 293.407 3.045 50 0 CGAARO COc1cccc(C[NH2+][C@](C)(CO)C2CCCCC2)c1F ZINC000192687563 542268013 /nfs/dbraw/zinc/26/80/13/542268013.db2.gz OJPGBIDFQPBCKF-QGZVFWFLSA-N 1 0 295.398 3.255 50 0 CGAARO CC[n+]1c(C)sc2cc(SC)c(OC)cc21 ZINC000000352711 169615119 /nfs/dbraw/zinc/61/51/19/169615119.db2.gz LWUDPRFWMNPIDU-UHFFFAOYSA-N 1 0 254.400 3.248 50 0 CGAARO C[N@H+](Cc1cccs1)[C@H](CCO)c1ccccc1 ZINC000093442433 184675700 /nfs/dbraw/zinc/67/57/00/184675700.db2.gz YINOUOBCKNSQAI-OAHLLOKOSA-N 1 0 261.390 3.304 50 0 CGAARO c1ncn(CC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)n1 ZINC000358100819 542577127 /nfs/dbraw/zinc/57/71/27/542577127.db2.gz QKTGSMZVFWPOMR-SFHVURJKSA-N 1 0 298.434 3.059 50 0 CGAARO Oc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688794 285392728 /nfs/dbraw/zinc/39/27/28/285392728.db2.gz PBHDVNKOSVXBHD-INIZCTEOSA-N 1 0 264.328 3.109 50 0 biogenic CGAARO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)c(F)c1)C1CCOCC1 ZINC000096478825 533408152 /nfs/dbraw/zinc/40/81/52/533408152.db2.gz WYQFKZPVCWYQPC-VXGBXAGGSA-N 1 0 283.362 3.473 50 0 CGAARO CCOc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002388701 391915384 /nfs/dbraw/zinc/91/53/84/391915384.db2.gz JGBLWVCVESRLRS-UHFFFAOYSA-N 1 0 299.370 3.146 50 0 CGAARO C(C1CCCCC1)[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000020906897 391941502 /nfs/dbraw/zinc/94/15/02/391941502.db2.gz QTVQBXQKRJVCNJ-MRXNPFEDSA-N 1 0 250.430 3.127 50 0 CGAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCC(CC)CC1 ZINC000023280885 391945733 /nfs/dbraw/zinc/94/57/33/391945733.db2.gz LFFDNVDWDYHKCY-NRXISQOPSA-N 1 0 267.413 3.373 50 0 CGAARO COC(=O)c1cccc(CC[N@H+](C)Cc2ccccc2)c1 ZINC000031982738 391964451 /nfs/dbraw/zinc/96/44/51/391964451.db2.gz IGJQEMHBYKNIQR-UHFFFAOYSA-N 1 0 283.371 3.148 50 0 CGAARO Cc1ccc([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1F ZINC000094956489 392243117 /nfs/dbraw/zinc/24/31/17/392243117.db2.gz YXOSGSTZDIHGHW-CYBMUJFWSA-N 1 0 292.398 3.091 50 0 CGAARO Cc1cccc(NC[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)[nH+]1 ZINC000097163419 392262462 /nfs/dbraw/zinc/26/24/62/392262462.db2.gz INURNGOGUWZDRO-CRAIPNDOSA-N 1 0 295.386 3.022 50 0 CGAARO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCOC(C)(C)C1 ZINC000291526242 392463228 /nfs/dbraw/zinc/46/32/28/392463228.db2.gz JRKVYDHFEPZFRC-HNNXBMFYSA-N 1 0 287.407 3.342 50 0 CGAARO CC[C@H](C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000390834728 392927728 /nfs/dbraw/zinc/92/77/28/392927728.db2.gz UTPMXSORHJOBCX-NVXWUHKLSA-N 1 0 284.407 3.109 50 0 CGAARO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccc2c(ccn2C)c1 ZINC000215563254 392987376 /nfs/dbraw/zinc/98/73/76/392987376.db2.gz LVLUSHZVBOPQJH-ZDUSSCGKSA-N 1 0 280.375 3.161 50 0 CGAARO Cc1noc(C)c1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000216439090 392989309 /nfs/dbraw/zinc/98/93/09/392989309.db2.gz JBGJPDTVZFJYCJ-UHFFFAOYSA-N 1 0 297.402 3.251 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228068601 393018809 /nfs/dbraw/zinc/01/88/09/393018809.db2.gz ZJSKXUTVCJROCT-DLBZAZTESA-N 1 0 258.409 3.041 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000001227554 134531769 /nfs/dbraw/zinc/53/17/69/134531769.db2.gz MAEATYFTQCNFKC-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO CSCC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000670474343 543157615 /nfs/dbraw/zinc/15/76/15/543157615.db2.gz FFAGPTYQKSOIEW-SNVBAGLBSA-N 1 0 295.383 3.107 50 0 CGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccsc2)C1 ZINC000108324565 397652953 /nfs/dbraw/zinc/65/29/53/397652953.db2.gz TWDBTBOCGPYXIA-JUIVLLAYSA-N 1 0 299.505 3.349 50 0 CGAARO CSCC[C@@H]1c2[nH]cnc2CC[N@H+]1CCC(F)(F)F ZINC000067641800 397639604 /nfs/dbraw/zinc/63/96/04/397639604.db2.gz OXVRVRCPDRMHGG-SNVBAGLBSA-N 1 0 293.358 3.014 50 0 CGAARO Cc1ccc([C@@]2(CC[NH3+])CCO[C@H](C(C)C)C2)cc1 ZINC000004043693 292238894 /nfs/dbraw/zinc/23/88/94/292238894.db2.gz HPVXHZLIZADOQV-IRXDYDNUSA-N 1 0 261.409 3.417 50 0 biogenic CGAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C2)C[C@@H]2CCCC[N@@H+]21 ZINC000215983737 286260211 /nfs/dbraw/zinc/26/02/11/286260211.db2.gz UYFHCQBNTXCLDD-IGCXYCKISA-N 1 0 273.376 3.175 50 0 CGAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002013850 169767525 /nfs/dbraw/zinc/76/75/25/169767525.db2.gz QBEGUTHCSOWVOB-OAHLLOKOSA-N 1 0 296.414 3.497 50 0 CGAARO CCOc1cccc(OCCC[NH2+][C@H](C)CC)c1 ZINC000002825258 169835080 /nfs/dbraw/zinc/83/50/80/169835080.db2.gz SAECCNAVNCOGKF-CYBMUJFWSA-N 1 0 251.370 3.242 50 0 CGAARO OCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000002862023 169838192 /nfs/dbraw/zinc/83/81/92/169838192.db2.gz HLYKKFJNKCCMSE-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO C[C@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000004700880 170001437 /nfs/dbraw/zinc/00/14/37/170001437.db2.gz GSILAONZJUFGIM-SWLSCSKDSA-N 1 0 294.826 3.238 50 0 CGAARO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000004744712 170010297 /nfs/dbraw/zinc/01/02/97/170010297.db2.gz RPJFNFDSXZJZPX-ZDUSSCGKSA-N 1 0 274.408 3.364 50 0 CGAARO C[C@H](O)C[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000004833282 170026182 /nfs/dbraw/zinc/02/61/82/170026182.db2.gz WRVRNWVIDNWSFH-HNNXBMFYSA-N 1 0 285.387 3.093 50 0 CGAARO COc1cc(C[NH2+]Cc2cccc(C)c2)cc(OC)c1 ZINC000004891783 170037023 /nfs/dbraw/zinc/03/70/23/170037023.db2.gz GGCZQAOJJRFSQT-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000004912939 170040525 /nfs/dbraw/zinc/04/05/25/170040525.db2.gz FAGAYSIDJCCGET-BETUJISGSA-N 1 0 251.345 3.182 50 0 CGAARO Cc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1 ZINC000004993226 170051293 /nfs/dbraw/zinc/05/12/93/170051293.db2.gz LGCZRENCSLBXAB-UHFFFAOYSA-N 1 0 278.355 3.126 50 0 CGAARO CCN(CC)C(=O)CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000005018085 170056004 /nfs/dbraw/zinc/05/60/04/170056004.db2.gz AFEBAQPHUWZYEL-QGZVFWFLSA-N 1 0 288.435 3.125 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005126554 170068908 /nfs/dbraw/zinc/06/89/08/170068908.db2.gz NFZXGUSLUPONPS-UHFFFAOYSA-N 1 0 290.451 3.446 50 0 CGAARO Cc1c(O)ccc2c(C[N@H+]3CCCC[C@H]3C)cc(=O)oc12 ZINC000006650598 170222509 /nfs/dbraw/zinc/22/25/09/170222509.db2.gz GDXXWSQYPNZOSR-LLVKDONJSA-N 1 0 287.359 3.181 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000006743587 170238677 /nfs/dbraw/zinc/23/86/77/170238677.db2.gz FAIPALISURVKKH-GOSISDBHSA-N 1 0 299.414 3.435 50 0 CGAARO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000006935352 170256740 /nfs/dbraw/zinc/25/67/40/170256740.db2.gz OVSBFFSOQWDSFO-QLFBSQMISA-N 1 0 274.408 3.300 50 0 CGAARO C[NH+](C)CCCNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000007771702 170301247 /nfs/dbraw/zinc/30/12/47/170301247.db2.gz FRILSDDVRPNVEZ-UHFFFAOYSA-N 1 0 298.386 3.160 50 0 CGAARO C[C@@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000007813400 170303980 /nfs/dbraw/zinc/30/39/80/170303980.db2.gz HVJKNDUEEXRYII-IAQYHMDHSA-N 1 0 288.372 3.014 50 0 CGAARO C[NH+](C)C1(CNc2ncnc3sccc32)CCCCC1 ZINC000008063219 170316972 /nfs/dbraw/zinc/31/69/72/170316972.db2.gz WGDPVZKPAOPHNF-UHFFFAOYSA-N 1 0 290.436 3.368 50 0 CGAARO Cc1cccc2c(=O)c(C[NH+]3CCCC3)c(C)[nH]c12 ZINC000008714598 170348747 /nfs/dbraw/zinc/34/87/47/170348747.db2.gz GEAXUVTVCRXYSV-UHFFFAOYSA-N 1 0 256.349 3.153 50 0 biogenic,in-vitro CGAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000009513720 170380059 /nfs/dbraw/zinc/38/00/59/170380059.db2.gz RHFQWGARMFIITD-CHWSQXEVSA-N 1 0 264.369 3.329 50 0 CGAARO O=C(NCc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010358942 170405318 /nfs/dbraw/zinc/40/53/18/170405318.db2.gz SNRZIOQOSBSOEA-UHFFFAOYSA-N 1 0 294.398 3.212 50 0 CGAARO Cn1cccc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000012395901 170484288 /nfs/dbraw/zinc/48/42/88/170484288.db2.gz IMMSPAXSWBSOOZ-UHFFFAOYSA-N 1 0 287.794 3.492 50 0 CGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(C)s1)C2 ZINC000019227418 170755624 /nfs/dbraw/zinc/75/56/24/170755624.db2.gz YXAVYEWAEZYGKJ-ZDUSSCGKSA-N 1 0 289.400 3.158 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1ccccc1Br ZINC000019636614 170833366 /nfs/dbraw/zinc/83/33/66/170833366.db2.gz DYLDMGCVDQUJMV-UHFFFAOYSA-N 1 0 299.256 3.223 50 0 CGAARO CC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cccs1 ZINC000020186547 171051070 /nfs/dbraw/zinc/05/10/70/171051070.db2.gz GZGBJUSMSSFPRE-GFCCVEGCSA-N 1 0 262.378 3.393 50 0 CGAARO Cn1nccc1C[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000020451356 171207364 /nfs/dbraw/zinc/20/73/64/171207364.db2.gz IYPPUPQSKVMLLG-AWEZNQCLSA-N 1 0 289.448 3.469 50 0 CGAARO CC(C)CC[C@@H](CCN1CC[NH+](C)CC1)c1ccco1 ZINC000020590562 171260971 /nfs/dbraw/zinc/26/09/71/171260971.db2.gz IAMAURQGMSRGRQ-INIZCTEOSA-N 1 0 278.440 3.437 50 0 CGAARO FC(F)(F)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000020595720 171264679 /nfs/dbraw/zinc/26/46/79/171264679.db2.gz SPPGTNMZDJYLCC-UHFFFAOYSA-N 1 0 273.298 3.474 50 0 CGAARO Cc1ccsc1C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000020910092 171279306 /nfs/dbraw/zinc/27/93/06/171279306.db2.gz IEFKKXUTSNLVBO-INIZCTEOSA-N 1 0 273.401 3.150 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccncc2)cc1Cl ZINC000020928136 171280444 /nfs/dbraw/zinc/28/04/44/171280444.db2.gz PKPAKYDXYNWEMW-UHFFFAOYSA-N 1 0 262.740 3.033 50 0 CGAARO OC1(c2ccccc2)CC[NH+](CCCc2ccco2)CC1 ZINC000020995090 171283763 /nfs/dbraw/zinc/28/37/63/171283763.db2.gz RMSALKCONQJAGN-UHFFFAOYSA-N 1 0 285.387 3.196 50 0 CGAARO C[NH+](C)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000021835700 171335076 /nfs/dbraw/zinc/33/50/76/171335076.db2.gz BZWSRYOUVLZOAN-INIZCTEOSA-N 1 0 283.375 3.111 50 0 CGAARO c1csc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000035287272 172104932 /nfs/dbraw/zinc/10/49/32/172104932.db2.gz PCUSKWMTUNKHLY-UHFFFAOYSA-N 1 0 271.389 3.347 50 0 CGAARO Fc1cccc(Cl)c1C[NH2+]CCCOc1ccccn1 ZINC000035287326 172105254 /nfs/dbraw/zinc/10/52/54/172105254.db2.gz SJDZAOADYSOGKJ-UHFFFAOYSA-N 1 0 294.757 3.433 50 0 CGAARO CCn1c(C[NH2+][C@@H](C)Cc2ccco2)nc2ccccc21 ZINC000038046812 174055605 /nfs/dbraw/zinc/05/56/05/174055605.db2.gz DTGCQHCEGUIHGC-ZDUSSCGKSA-N 1 0 283.375 3.370 50 0 CGAARO FC(F)(F)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000038580834 174148351 /nfs/dbraw/zinc/14/83/51/174148351.db2.gz KKPUWFLCFQDJIN-JTQLQIEISA-N 1 0 259.271 3.084 50 0 CGAARO COC(=O)c1oc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1C ZINC000040086064 174187584 /nfs/dbraw/zinc/18/75/84/174187584.db2.gz NEIFLRKJYWSSRW-INIZCTEOSA-N 1 0 299.370 3.494 50 0 CGAARO COc1ccc2cc(C[NH2+]CCCn3cccn3)ccc2c1 ZINC000040088615 174188666 /nfs/dbraw/zinc/18/86/66/174188666.db2.gz IDNFBKFMTZFCFR-UHFFFAOYSA-N 1 0 295.386 3.225 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2CCc3ccccc3C2)cs1 ZINC000040418839 174257046 /nfs/dbraw/zinc/25/70/46/174257046.db2.gz URHBBIHCIGFIMQ-CQSZACIVSA-N 1 0 258.390 3.099 50 0 CGAARO COc1cccc2cc(C[NH2+]C[C@H](O)c3ccccc3)oc21 ZINC000040464603 174273775 /nfs/dbraw/zinc/27/37/75/174273775.db2.gz RWLDQKWNMOJCNA-INIZCTEOSA-N 1 0 297.354 3.265 50 0 CGAARO Brc1ccccc1OCCC1CC[NH2+]CC1 ZINC000042772144 174871569 /nfs/dbraw/zinc/87/15/69/174871569.db2.gz KXQMXTUXMRTNGS-UHFFFAOYSA-N 1 0 284.197 3.218 50 0 CGAARO CCc1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000042774391 174873200 /nfs/dbraw/zinc/87/32/00/174873200.db2.gz DVQHJRHJMTYJGM-UHFFFAOYSA-N 1 0 298.224 3.390 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2ccc3ccccc3c2)CCCC1 ZINC000046445537 175396599 /nfs/dbraw/zinc/39/65/99/175396599.db2.gz KYHSNNAZVZCVGS-UHFFFAOYSA-N 1 0 296.414 3.444 50 0 CGAARO CSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000046858496 175399873 /nfs/dbraw/zinc/39/98/73/175399873.db2.gz BLEHRYUIIPXAJS-ZDUSSCGKSA-N 1 0 292.448 3.013 50 0 CGAARO Cc1oc(C(C)C)cc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000067974078 175804773 /nfs/dbraw/zinc/80/47/73/175804773.db2.gz YJNISMJFKCUEPC-AWEZNQCLSA-N 1 0 292.423 3.173 50 0 CGAARO CC[C@H]1CCCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400320 176152578 /nfs/dbraw/zinc/15/25/78/176152578.db2.gz BAJXPQMNZZLFGI-JKSUJKDBSA-N 1 0 274.408 3.258 50 0 CGAARO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000071401343 176153525 /nfs/dbraw/zinc/15/35/25/176153525.db2.gz XCXNLAGTWZOHHM-INIZCTEOSA-N 1 0 286.350 3.269 50 0 CGAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc2c(c1)CCO2 ZINC000071850032 176276872 /nfs/dbraw/zinc/27/68/72/176276872.db2.gz WRZDBQNHFFBHSR-LBPRGKRZSA-N 1 0 269.344 3.178 50 0 CGAARO CCc1nnc([C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000071896996 176292255 /nfs/dbraw/zinc/29/22/55/176292255.db2.gz YJYMHOCYEVUDTG-JSGCOSHPSA-N 1 0 271.364 3.183 50 0 CGAARO Cc1ccsc1CCn1ccnc1C1CC[NH+](C)CC1 ZINC000072130718 176321723 /nfs/dbraw/zinc/32/17/23/176321723.db2.gz DUELHKYZMSNGGH-UHFFFAOYSA-N 1 0 289.448 3.305 50 0 CGAARO OCCCC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000072149906 176326176 /nfs/dbraw/zinc/32/61/76/176326176.db2.gz GVGLSFPCQQNOPI-QGZVFWFLSA-N 1 0 261.409 3.246 50 0 CGAARO CCCn1ccnc1C[N@@H+]1CCCC[C@H]1CCCOC ZINC000077302280 177250774 /nfs/dbraw/zinc/25/07/74/177250774.db2.gz HQCHLGVWRSEMJP-HNNXBMFYSA-N 1 0 279.428 3.074 50 0 CGAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000078553139 177353612 /nfs/dbraw/zinc/35/36/12/177353612.db2.gz CGGIHWNBIZSMDI-RUNBWSAHSA-N 1 0 269.392 3.401 50 0 CGAARO Cn1cnn(C[NH2+][C@H](c2cccs2)C(C)(C)C)c1=S ZINC000048961427 416463480 /nfs/dbraw/zinc/46/34/80/416463480.db2.gz KHRRVLDSVMBAMG-LLVKDONJSA-N 1 0 296.465 3.347 50 0 CGAARO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249399819 287619586 /nfs/dbraw/zinc/61/95/86/287619586.db2.gz UQNYWAMMVLXULL-NNYUYHANSA-N 1 0 294.361 3.000 50 0 CGAARO C[NH+](C)C1(CNCc2cccc(O)c2Cl)CCCCC1 ZINC000328291662 270095316 /nfs/dbraw/zinc/09/53/16/270095316.db2.gz BVLLTUPMIXSOLG-UHFFFAOYSA-N 1 0 296.842 3.400 50 0 CGAARO CC1(C)C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000087006496 273586233 /nfs/dbraw/zinc/58/62/33/273586233.db2.gz BPWDLTKPJDXTPN-LLVKDONJSA-N 1 0 259.271 3.145 50 0 CGAARO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1Cl ZINC000005229326 274275408 /nfs/dbraw/zinc/27/54/08/274275408.db2.gz XGZDUYKNWQLVDP-SSDOTTSWSA-N 1 0 280.784 3.148 50 0 CGAARO Cc1ccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000004980233 274748674 /nfs/dbraw/zinc/74/86/74/274748674.db2.gz VSDGYWKRSROVPK-WBVHZDCISA-N 1 0 258.409 3.306 50 0 CGAARO Clc1ccc(O[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000042775716 274881739 /nfs/dbraw/zinc/88/17/39/274881739.db2.gz URNQNCZMNVHNTF-JTQLQIEISA-N 1 0 262.740 3.019 50 0 CGAARO O[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000226750477 275056089 /nfs/dbraw/zinc/05/60/89/275056089.db2.gz BLZVNGKZYVMGGU-CEXWTWQISA-N 1 0 279.383 3.339 50 0 CGAARO C1CCC(O[C@@H]2CCCC[C@H]2[NH2+]C2CCOCC2)C1 ZINC000090916373 275736403 /nfs/dbraw/zinc/73/64/03/275736403.db2.gz SVZIKETWMVESNT-HZPDHXFCSA-N 1 0 267.413 3.025 50 0 CGAARO CCN(CC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC000019634868 276124061 /nfs/dbraw/zinc/12/40/61/276124061.db2.gz FSBHPOPCPZWZMH-UHFFFAOYSA-N 1 0 274.330 3.089 50 0 CGAARO CC[N@H+](C[C@H](O)COc1ccc(C)cc1)C1CCCCC1 ZINC000007636290 276138422 /nfs/dbraw/zinc/13/84/22/276138422.db2.gz TXMDSWQUERYAMS-KRWDZBQOSA-N 1 0 291.435 3.389 50 0 CGAARO CCOC(=O)C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000075093911 276274841 /nfs/dbraw/zinc/27/48/41/276274841.db2.gz MCZWFLIUPBPAOZ-MRXNPFEDSA-N 1 0 291.366 3.088 50 0 CGAARO CSC1(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000335444346 278123803 /nfs/dbraw/zinc/12/38/03/278123803.db2.gz HETHBOQHUXYXJY-MRXNPFEDSA-N 1 0 275.417 3.013 50 0 CGAARO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000170639910 278186695 /nfs/dbraw/zinc/18/66/95/278186695.db2.gz VHIYQCZCDHCSNA-INIZCTEOSA-N 1 0 292.467 3.290 50 0 CGAARO Cc1ncnc(-c2ccc([C@H](C)[NH+](C)C)cc2)c1C ZINC000097797432 279176537 /nfs/dbraw/zinc/17/65/37/279176537.db2.gz XPXGJLQLSXSPRB-ZDUSSCGKSA-N 1 0 255.365 3.383 50 0 CGAARO Cc1cc(=O)c2ccccc2n1CC[C@H]1CCCC[N@H+]1C ZINC000095385956 280303547 /nfs/dbraw/zinc/30/35/47/280303547.db2.gz LXCSMROIUSHJQK-OAHLLOKOSA-N 1 0 284.403 3.184 50 0 CGAARO C[NH+](C)C1(CNc2ncccc2Cl)CCCCC1 ZINC000531534407 288337474 /nfs/dbraw/zinc/33/74/74/288337474.db2.gz XVAQYODHUZLHQD-UHFFFAOYSA-N 1 0 267.804 3.411 50 0 CGAARO C[C@@H]([NH2+]CCc1cccc(F)c1)c1cn2ccccc2n1 ZINC000551266873 289105931 /nfs/dbraw/zinc/10/59/31/289105931.db2.gz GYKYSABTKXWKPI-CYBMUJFWSA-N 1 0 283.350 3.367 50 0 CGAARO Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccncc2)cc1 ZINC000095984341 294108337 /nfs/dbraw/zinc/10/83/37/294108337.db2.gz NJXBHDMKGUZGOU-HZPDHXFCSA-N 1 0 288.778 3.355 50 0 CGAARO CC1=C(c2ccccc2)[C@@H]1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534667033 328345562 /nfs/dbraw/zinc/34/55/62/328345562.db2.gz YJIKPDYDTHFRHQ-QGZVFWFLSA-N 1 0 298.430 3.081 50 0 CGAARO Clc1cnn(C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000195556567 336056187 /nfs/dbraw/zinc/05/61/87/336056187.db2.gz CXGHNJRHVRMBSV-UHFFFAOYSA-N 1 0 281.812 3.435 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)o1 ZINC000096486398 534087689 /nfs/dbraw/zinc/08/76/89/534087689.db2.gz XFXAXXZJSPTZPG-ZWNOBZJWSA-N 1 0 265.378 3.251 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000096493504 534393174 /nfs/dbraw/zinc/39/31/74/534393174.db2.gz SGZQGEBNKIBDOQ-YUELXQCFSA-N 1 0 292.448 3.197 50 0 CGAARO CSc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000019871883 526003765 /nfs/dbraw/zinc/00/37/65/526003765.db2.gz IOVUYLUZHRMPJR-MRXNPFEDSA-N 1 0 273.401 3.232 50 0 CGAARO CC1(C)Cc2occc2[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000096476311 527780095 /nfs/dbraw/zinc/78/00/95/527780095.db2.gz NRNBSNRYJDYEHR-CQSZACIVSA-N 1 0 273.380 3.170 50 0 CGAARO Clc1cccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022114997 570408536 /nfs/dbraw/zinc/40/85/36/570408536.db2.gz UGTBQURRNOQZSV-QGZVFWFLSA-N 1 0 286.806 3.335 50 0 CGAARO CC[NH2+]Cc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000050479001 618660582 /nfs/dbraw/zinc/66/05/82/618660582.db2.gz AJYZCMBLGSAMOT-UHFFFAOYSA-N 1 0 269.270 3.205 50 0 CGAARO CCn1[nH]cc2nc(-c3ccc([C@H](C)[NH+](C)C)cc3)nc1-2 ZINC000020536402 618978837 /nfs/dbraw/zinc/97/88/37/618978837.db2.gz RUAKHOXRZODMHH-NSHDSACASA-N 1 0 283.379 3.069 50 0 CGAARO CC[NH+](CC)CCN(Cc1ccco1)Cc1cccnc1 ZINC000182055370 619260484 /nfs/dbraw/zinc/26/04/84/619260484.db2.gz JZTNAFUWBUANBN-UHFFFAOYSA-N 1 0 287.407 3.019 50 0 CGAARO CO[C@H]1CCC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000903103465 621575731 /nfs/dbraw/zinc/57/57/31/621575731.db2.gz IMVDQTFXGJAOSP-KGLIPLIRSA-N 1 0 285.428 3.046 50 0 CGAARO Cc1cc(F)ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000585081340 625928479 /nfs/dbraw/zinc/92/84/79/625928479.db2.gz HXJJPSRJEOXGQU-MRXNPFEDSA-N 1 0 265.372 3.261 50 0 CGAARO C[C@@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982496 629721742 /nfs/dbraw/zinc/72/17/42/629721742.db2.gz PDSUKOBMJJSWLS-CJNGLKHVSA-N 1 0 284.407 3.397 50 0 CGAARO OC[C@@H]1CCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000000212227 640919112 /nfs/dbraw/zinc/91/91/12/640919112.db2.gz UOCRZXZJFPXUEA-JCYILVPMSA-N 1 0 259.393 3.170 50 0 CGAARO COc1cccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000277027 640921502 /nfs/dbraw/zinc/92/15/02/640921502.db2.gz HXEKKNXIQWDGBK-CVEARBPZSA-N 1 0 288.435 3.396 50 0 CGAARO C[C@@H]1C[N@H+](CC2CC2)Cc2cc(Cl)ccc2O1 ZINC000014991604 640972375 /nfs/dbraw/zinc/97/23/75/640972375.db2.gz FQSRCBKHYACOTB-SNVBAGLBSA-N 1 0 251.757 3.333 50 0 CGAARO CCSC[C@H](C)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000823421466 800466344 /nfs/dbraw/zinc/46/63/44/800466344.db2.gz ICUXBQCCNBJMGB-LBPRGKRZSA-N 1 0 275.421 3.203 50 0 CGAARO O=C(N[C@H]1CCc2ccccc21)C1([NH+]2CCCC2)CCCC1 ZINC000827661371 800478610 /nfs/dbraw/zinc/47/86/10/800478610.db2.gz VHUXTDLHDXQFPL-KRWDZBQOSA-N 1 0 298.430 3.199 50 0 CGAARO CC[C@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000952861181 800684728 /nfs/dbraw/zinc/68/47/28/800684728.db2.gz DOMIYVIPMXGSJC-MRXNPFEDSA-N 1 0 284.407 3.126 50 0 CGAARO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)C1 ZINC000032533114 927575768 /nfs/dbraw/zinc/57/57/68/927575768.db2.gz FYFKKXZFIHEWGF-MSOLQXFVSA-N 1 0 288.435 3.156 50 0 CGAARO CCC[N@@H+]1CCC[C@@H](Nc2nnc(C)c3ccccc32)C1 ZINC001529134216 938071226 /nfs/dbraw/zinc/07/12/26/938071226.db2.gz PTJOCDSBIKZJKR-CQSZACIVSA-N 1 0 284.407 3.225 50 0 CGAARO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529172453 938071336 /nfs/dbraw/zinc/07/13/36/938071336.db2.gz HXTGVHZWYHGRTQ-AZQPONJRSA-N 1 0 277.383 3.115 50 0 CGAARO Cc1nc[nH]c1CN1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1 ZINC001529189276 938071609 /nfs/dbraw/zinc/07/16/09/938071609.db2.gz JVMBRJXKGSEVSW-ZWKOTPCHSA-N 1 0 297.402 3.070 50 0 CGAARO Cc1cnc(CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000096478453 230380195 /nfs/dbraw/zinc/38/01/95/230380195.db2.gz OJCOCVAIHRFMEH-NSHDSACASA-N 1 0 290.388 3.074 50 0 CGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000097742990 230386859 /nfs/dbraw/zinc/38/68/59/230386859.db2.gz BGYDTCLNZXHWQL-ZDUSSCGKSA-N 1 0 292.810 3.477 50 0 CGAARO CCc1nc(C[NH2+][C@@H](C)CCc2cccn2C)cs1 ZINC000095961941 185044521 /nfs/dbraw/zinc/04/45/21/185044521.db2.gz BDDHZPAIMIUUMN-LBPRGKRZSA-N 1 0 277.437 3.155 50 0 CGAARO COc1c(C)cc(C[NH2+]CCNc2cccc(C)n2)cc1C ZINC000095964604 185046018 /nfs/dbraw/zinc/04/60/18/185046018.db2.gz HPUDCKUGFZGDSK-UHFFFAOYSA-N 1 0 299.418 3.217 50 0 CGAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc2ccccc2o1 ZINC000095983975 185055176 /nfs/dbraw/zinc/05/51/76/185055176.db2.gz LCRFMPKPQCFJDC-HZPDHXFCSA-N 1 0 284.403 3.491 50 0 CGAARO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000095985870 185056285 /nfs/dbraw/zinc/05/62/85/185056285.db2.gz BOPNAIUZMPVTEH-CXAGYDPISA-N 1 0 270.376 3.170 50 0 CGAARO C[C@@H](COc1ccc(F)cc1)[NH2+][C@@H](C)c1ccncc1 ZINC000097032665 185156165 /nfs/dbraw/zinc/15/61/65/185156165.db2.gz GPXJGQCQQHVPIO-STQMWFEESA-N 1 0 274.339 3.339 50 0 CGAARO Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH3+])C(F)(F)F ZINC000074941787 282242311 /nfs/dbraw/zinc/24/23/11/282242311.db2.gz JEUKSJYTKIUTQK-LBPRGKRZSA-N 1 0 283.297 3.094 50 0 CGAARO CC(C)C[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000001227834 344856316 /nfs/dbraw/zinc/85/63/16/344856316.db2.gz XQQQNSXVHJHKJP-YQQAZPJKSA-N 1 0 261.409 3.261 50 0 CGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000014914644 344883057 /nfs/dbraw/zinc/88/30/57/344883057.db2.gz QRMMJKSUUMHDIZ-DOMZBBRYSA-N 1 0 274.408 3.362 50 0 CGAARO C[NH+](C)C1(C)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000038601724 344956488 /nfs/dbraw/zinc/95/64/88/344956488.db2.gz AFRBNSRPSRYNFW-UHFFFAOYSA-N 1 0 280.415 3.412 50 0 CGAARO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000049870794 345075840 /nfs/dbraw/zinc/07/58/40/345075840.db2.gz WKMHORNHIYSUSG-INIZCTEOSA-N 1 0 277.314 3.130 50 0 CGAARO c1cc(-c2noc([C@H]3CCCC[N@H+]3CC3CC3)n2)ccn1 ZINC000065286178 345270775 /nfs/dbraw/zinc/27/07/75/345270775.db2.gz WSXFZFNDIUDJDQ-CQSZACIVSA-N 1 0 284.363 3.069 50 0 CGAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2)n1 ZINC000069491618 345380959 /nfs/dbraw/zinc/38/09/59/345380959.db2.gz PNJVWDDKLDQGLA-OPUMOTSWSA-N 1 0 296.418 3.073 50 0 CGAARO Cn1cccc1C[NH2+][C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000072291866 345408885 /nfs/dbraw/zinc/40/88/85/345408885.db2.gz QTNQKHRGGYLCOO-OAHLLOKOSA-N 1 0 286.423 3.144 50 0 CGAARO O=C(c1ccco1)N1CCC([NH2+]C2CCCCCC2)CC1 ZINC000078889167 345624001 /nfs/dbraw/zinc/62/40/01/345624001.db2.gz QUJYWKDUUXTEQD-UHFFFAOYSA-N 1 0 290.407 3.197 50 0 CGAARO Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000092063468 345829539 /nfs/dbraw/zinc/82/95/39/345829539.db2.gz DPSRAUALZPMBLS-KRWDZBQOSA-N 1 0 283.419 3.354 50 0 CGAARO CC[NH+](CC)C[C@H](O)C1(c2ccccc2)CCCC1 ZINC000096028017 345901990 /nfs/dbraw/zinc/90/19/90/345901990.db2.gz NJOMLQLCJRQIDN-INIZCTEOSA-N 1 0 261.409 3.201 50 0 CGAARO Cc1ncccc1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000097378280 345908723 /nfs/dbraw/zinc/90/87/23/345908723.db2.gz BBRDCUHIDQWGJX-MRXNPFEDSA-N 1 0 290.794 3.041 50 0 CGAARO CC[C@]1(C)CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000170048938 346193531 /nfs/dbraw/zinc/19/35/31/346193531.db2.gz SZWWYLZATVJVOG-YCXXCVGLSA-N 1 0 292.467 3.336 50 0 CGAARO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CCSCC1 ZINC000170057702 346193593 /nfs/dbraw/zinc/19/35/93/346193593.db2.gz QTHQSRZSGQMOFL-XHDPSFHLSA-N 1 0 283.412 3.123 50 0 CGAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000189343627 346263234 /nfs/dbraw/zinc/26/32/34/346263234.db2.gz QYLGLRFXCKSFRH-ROHXPCBUSA-N 1 0 263.303 3.017 50 0 CGAARO OC[C@]1(c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000209424891 346285285 /nfs/dbraw/zinc/28/52/85/346285285.db2.gz CQHAGJXGSOJXIQ-SFHVURJKSA-N 1 0 267.372 3.170 50 0 CGAARO Cc1cnc(CC[NH2+]C[C@@H](C)c2ccccc2)s1 ZINC000194479994 346271147 /nfs/dbraw/zinc/27/11/47/346271147.db2.gz ZCMSROXDPXDXKM-GFCCVEGCSA-N 1 0 260.406 3.387 50 0 CGAARO Fc1cccc(C2(C[NH2+]C3CCC3)CCOCC2)c1 ZINC000195556411 346273074 /nfs/dbraw/zinc/27/30/74/346273074.db2.gz AEHIETXPUDOREG-UHFFFAOYSA-N 1 0 263.356 3.016 50 0 CGAARO Cc1cc(C)c(CN[C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000584889866 346721908 /nfs/dbraw/zinc/72/19/08/346721908.db2.gz QSXMMJXSRUQYAA-MRXNPFEDSA-N 1 0 275.440 3.053 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000585134944 346724189 /nfs/dbraw/zinc/72/41/89/346724189.db2.gz PYIHIHDTMYXQRA-SECBINFHSA-N 1 0 276.361 3.031 50 0 CGAARO CCSc1cccc(C[NH2+]CC2CSC2)c1 ZINC000585135938 346724774 /nfs/dbraw/zinc/72/47/74/346724774.db2.gz JQFYHUNYKVRKPZ-UHFFFAOYSA-N 1 0 253.436 3.251 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cc[nH]c(=O)c1 ZINC000339459353 215185848 /nfs/dbraw/zinc/18/58/48/215185848.db2.gz MUTHSKGRUSJCRA-MRVPVSSYSA-N 1 0 268.769 3.353 50 0 CGAARO CC[C@]1(CO)CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000091586202 180199837 /nfs/dbraw/zinc/19/98/37/180199837.db2.gz QTCVEPRNLKEOJF-SFHVURJKSA-N 1 0 286.419 3.163 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000092121190 180328005 /nfs/dbraw/zinc/32/80/05/180328005.db2.gz HLWIFZNDWRGYJH-HNNXBMFYSA-N 1 0 289.350 3.118 50 0 CGAARO C1=C[C@@H]2[C@H](C[C@@H]2[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000107082903 186159570 /nfs/dbraw/zinc/15/95/70/186159570.db2.gz OZCZQLILAHNLPT-UHOSZYNNSA-N 1 0 282.431 3.205 50 0 CGAARO Cc1nccn1C[C@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000369208424 234361466 /nfs/dbraw/zinc/36/14/66/234361466.db2.gz XUERHMSWYKTSJN-CQSZACIVSA-N 1 0 281.469 3.188 50 0 CGAARO CSc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1 ZINC000225471448 189752898 /nfs/dbraw/zinc/75/28/98/189752898.db2.gz JHMSKIXAPINCRR-ZDUSSCGKSA-N 1 0 279.449 3.391 50 0 CGAARO CCOC(=O)N1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC000000218862 368318629 /nfs/dbraw/zinc/31/86/29/368318629.db2.gz NRTJRAAWQHTWKR-OAHLLOKOSA-N 1 0 282.428 3.143 50 0 CGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000000239111 368321760 /nfs/dbraw/zinc/32/17/60/368321760.db2.gz KDSIZDBKLDINCS-QGZVFWFLSA-N 1 0 288.435 3.075 50 0 CGAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccccc2)c1C ZINC000000094804 368287822 /nfs/dbraw/zinc/28/78/22/368287822.db2.gz QHEQWDJMQSUZDF-UHFFFAOYSA-N 1 0 286.375 3.098 50 0 CGAARO CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000000173688 368309703 /nfs/dbraw/zinc/30/97/03/368309703.db2.gz SQQMFDZTNUJOMK-UHFFFAOYSA-N 1 0 291.464 3.282 50 0 CGAARO O=C(OCC[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000000186758 368311945 /nfs/dbraw/zinc/31/19/45/368311945.db2.gz KZWNTXVNZWECJU-UHFFFAOYSA-N 1 0 287.403 3.137 50 0 CGAARO CC[NH+]1CCC(NCc2ccccc2C(F)(F)F)CC1 ZINC000000277354 368330264 /nfs/dbraw/zinc/33/02/64/368330264.db2.gz LZKVZDMOCOQTPE-UHFFFAOYSA-N 1 0 286.341 3.279 50 0 CGAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000000330565 368342255 /nfs/dbraw/zinc/34/22/55/368342255.db2.gz OVTVITATUYGACO-INIZCTEOSA-N 1 0 286.419 3.105 50 0 CGAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000000350531 368345686 /nfs/dbraw/zinc/34/56/86/368345686.db2.gz WGGVSJLOKWPXEY-HNNXBMFYSA-N 1 0 297.826 3.120 50 0 CGAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1c[nH]c2ccccc21 ZINC000000491351 368378966 /nfs/dbraw/zinc/37/89/66/368378966.db2.gz FWTCRBBVXRGZOA-IBGZPJMESA-N 1 0 292.382 3.260 50 0 biogenic CGAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000572370 368388727 /nfs/dbraw/zinc/38/87/27/368388727.db2.gz AONULZXDXUOQLH-GFCCVEGCSA-N 1 0 255.317 3.266 50 0 CGAARO Clc1ccc2c(c1)ncnc2Nc1cc[nH+]cc1 ZINC000001406292 368413497 /nfs/dbraw/zinc/41/34/97/368413497.db2.gz XDGOGSQDAIDBCX-UHFFFAOYSA-N 1 0 256.696 3.422 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1 ZINC000001901929 368441662 /nfs/dbraw/zinc/44/16/62/368441662.db2.gz UGMRTWWXYQCHGT-WMZOPIPTSA-N 1 0 299.414 3.037 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1cccc(C)c1 ZINC000002738876 368473863 /nfs/dbraw/zinc/47/38/63/368473863.db2.gz YTXNAWXCOFWDRS-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO [NH3+]Cc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000002510927 368457848 /nfs/dbraw/zinc/45/78/48/368457848.db2.gz LTIXIEAFWNBPHF-UHFFFAOYSA-N 1 0 257.724 3.113 50 0 CGAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cccc(F)c1 ZINC000002514897 368459306 /nfs/dbraw/zinc/45/93/06/368459306.db2.gz LAAYDSCMCFUMBJ-UHFFFAOYSA-N 1 0 281.330 3.429 50 0 CGAARO CC[C@H](C)c1ccccc1OCCC[NH2+]CCOC ZINC000003003863 368488267 /nfs/dbraw/zinc/48/82/67/368488267.db2.gz CYEFFYGSNYFECE-AWEZNQCLSA-N 1 0 265.397 3.205 50 0 CGAARO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004173911 368534713 /nfs/dbraw/zinc/53/47/13/368534713.db2.gz GBBKLVNISBEAMH-BBWFWOEESA-N 1 0 291.435 3.306 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1F ZINC000004027215 368527111 /nfs/dbraw/zinc/52/71/11/368527111.db2.gz HIQQSLPHHOZEQQ-XJKSGUPXSA-N 1 0 291.366 3.247 50 0 biogenic CGAARO CC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000003442042 368507525 /nfs/dbraw/zinc/50/75/25/368507525.db2.gz JFNCOWKYYLAPPG-UHFFFAOYSA-N 1 0 277.389 3.445 50 0 CGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004197760 368536354 /nfs/dbraw/zinc/53/63/54/368536354.db2.gz VBRPHTQWMPRTIL-GUTXKFCHSA-N 1 0 297.826 3.343 50 0 CGAARO Cc1cccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000004304975 368541689 /nfs/dbraw/zinc/54/16/89/368541689.db2.gz OUCWOOHGPMSVMN-JKIFEVAISA-N 1 0 291.435 3.021 50 0 CGAARO Cc1cccc(C(=O)O[C@H](C)C[NH+]2CCCCC2)c1 ZINC000004552908 368550598 /nfs/dbraw/zinc/55/05/98/368550598.db2.gz IMINSZZAJSJCJP-CQSZACIVSA-N 1 0 261.365 3.026 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000010315524 368579869 /nfs/dbraw/zinc/57/98/69/368579869.db2.gz GYOYNOMKLLTWIO-UHFFFAOYSA-N 1 0 276.767 3.424 50 0 CGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1Cl ZINC000012438309 368613293 /nfs/dbraw/zinc/61/32/93/368613293.db2.gz FAZMNLYUYMNNHO-MGPQQGTHSA-N 1 0 297.826 3.343 50 0 CGAARO Cc1ccccc1C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013424948 368653430 /nfs/dbraw/zinc/65/34/30/368653430.db2.gz BKGMTYVUVOSNDX-WBVHZDCISA-N 1 0 287.403 3.416 50 0 biogenic,in-vitro CGAARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000016477452 368713331 /nfs/dbraw/zinc/71/33/31/368713331.db2.gz BTAHORQFAGKZDL-HNNXBMFYSA-N 1 0 261.752 3.163 50 0 CGAARO Cc1ccc(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016489202 368713502 /nfs/dbraw/zinc/71/35/02/368713502.db2.gz SVZNKJSRMKNWGW-OKILXGFUSA-N 1 0 265.422 3.196 50 0 CGAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000016662887 368719654 /nfs/dbraw/zinc/71/96/54/368719654.db2.gz OHOKWLGSCCRSGE-NSHDSACASA-N 1 0 286.297 3.453 50 0 CGAARO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc2ccccc2c1 ZINC000014013775 368672485 /nfs/dbraw/zinc/67/24/85/368672485.db2.gz WMXKMXLPXZYIRL-UHFFFAOYSA-N 1 0 298.430 3.086 50 0 CGAARO Nc1cc(C(F)(F)F)ccc1OCC[NH+]1CCCCC1 ZINC000014629463 368682973 /nfs/dbraw/zinc/68/29/73/368682973.db2.gz ISMXKPYXDIADDZ-UHFFFAOYSA-N 1 0 288.313 3.152 50 0 CGAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccccc1 ZINC000019636173 368758777 /nfs/dbraw/zinc/75/87/77/368758777.db2.gz JVEVXLFKSUHZHM-UHFFFAOYSA-N 1 0 274.433 3.312 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[NH2+]CC2 ZINC000019623973 368759117 /nfs/dbraw/zinc/75/91/17/368759117.db2.gz GLXRHRXCWKOJAR-OAHLLOKOSA-N 1 0 275.373 3.000 50 0 CGAARO c1coc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019842522 368771819 /nfs/dbraw/zinc/77/18/19/368771819.db2.gz NRHGWLVPWBATRL-UHFFFAOYSA-N 1 0 284.403 3.030 50 0 CGAARO CCN(CC)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019260245 368746672 /nfs/dbraw/zinc/74/66/72/368746672.db2.gz RDIPAVQWDCEASO-LBPRGKRZSA-N 1 0 260.303 3.047 50 0 CGAARO O=C(CCC1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019889420 368775289 /nfs/dbraw/zinc/77/52/89/368775289.db2.gz CNKZEKGPEYHHNB-UHFFFAOYSA-N 1 0 278.440 3.044 50 0 CGAARO [NH3+]CCN[C@@H](c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022917482 368814246 /nfs/dbraw/zinc/81/42/46/368814246.db2.gz NBOQTNFQBDDHOV-HNNXBMFYSA-N 1 0 294.320 3.343 50 0 CGAARO CSc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000023633980 368823386 /nfs/dbraw/zinc/82/33/86/368823386.db2.gz LSUIQIAYVWTJMI-UHFFFAOYSA-N 1 0 287.432 3.017 50 0 CGAARO CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000024083129 368829572 /nfs/dbraw/zinc/82/95/72/368829572.db2.gz RZHNZKABKZGIEM-KRWDZBQOSA-N 1 0 255.361 3.242 50 0 CGAARO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1O ZINC000020093611 368800336 /nfs/dbraw/zinc/80/03/36/368800336.db2.gz DGKZYFDBJZKRFA-UHFFFAOYSA-N 1 0 261.365 3.381 50 0 CGAARO C([NH2+][C@@H]1CCCN(CC2CCCCC2)C1)C1CC1 ZINC000032537384 368934155 /nfs/dbraw/zinc/93/41/55/368934155.db2.gz RAJCJEZPONMBKK-MRXNPFEDSA-N 1 0 250.430 3.031 50 0 CGAARO Cc1ccc(COC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000035075008 368996133 /nfs/dbraw/zinc/99/61/33/368996133.db2.gz PAWQSMOBOGCYPF-JZXOWHBKSA-N 1 0 291.435 3.135 50 0 CGAARO CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000036091072 369006771 /nfs/dbraw/zinc/00/67/71/369006771.db2.gz JWUVXKQCYZDGAY-MRXNPFEDSA-N 1 0 276.424 3.150 50 0 CGAARO c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000037140870 369067979 /nfs/dbraw/zinc/06/79/79/369067979.db2.gz BBRZAKQJIIXVIB-MRXNPFEDSA-N 1 0 288.460 3.440 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000037878812 369121643 /nfs/dbraw/zinc/12/16/43/369121643.db2.gz KOVMLPJQBCEWGY-VIFPVBQESA-N 1 0 294.196 3.331 50 0 CGAARO C[N@@H+](Cc1ccco1)C[C@H](O)c1ccc(Cl)cc1 ZINC000042669829 369228471 /nfs/dbraw/zinc/22/84/71/369228471.db2.gz AQXUXBCAFZKAEI-AWEZNQCLSA-N 1 0 265.740 3.098 50 0 CGAARO COc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000048040697 369335599 /nfs/dbraw/zinc/33/55/99/369335599.db2.gz UZUGYWHVEPCJBB-UHFFFAOYSA-N 1 0 297.358 3.277 50 0 CGAARO c1ccc(-c2ccc(-c3noc(C4C[NH2+]C4)n3)cc2)cc1 ZINC000048981106 369379396 /nfs/dbraw/zinc/37/93/96/369379396.db2.gz YORGTQZSEGUXNC-UHFFFAOYSA-N 1 0 277.327 3.090 50 0 CGAARO CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000055384949 369515788 /nfs/dbraw/zinc/51/57/88/369515788.db2.gz VSRHZVMLWJHXPP-WFASDCNBSA-N 1 0 296.842 3.452 50 0 CGAARO CCOc1cccc(C[NH2+]CC(C)C)c1OC(F)F ZINC000057901536 369550392 /nfs/dbraw/zinc/55/03/92/369550392.db2.gz SYALTNZFJJPDNO-UHFFFAOYSA-N 1 0 273.323 3.432 50 0 CGAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000058379695 369565987 /nfs/dbraw/zinc/56/59/87/369565987.db2.gz YFKJYKKFXLCHRK-QGZVFWFLSA-N 1 0 298.434 3.035 50 0 CGAARO C[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000062186129 369621524 /nfs/dbraw/zinc/62/15/24/369621524.db2.gz GAINZRFXVQNBJZ-MAUKXSAKSA-N 1 0 269.388 3.115 50 0 CGAARO c1ccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000065372360 369669538 /nfs/dbraw/zinc/66/95/38/369669538.db2.gz RVAZIKPZYIZHPQ-UHFFFAOYSA-N 1 0 297.402 3.402 50 0 CGAARO Cc1cc(-n2nc(C3CC3)nc2C[C@H]2C=CCC2)cc[nH+]1 ZINC000065381733 369670590 /nfs/dbraw/zinc/67/05/90/369670590.db2.gz MOIXCRLGOOJFAA-ZDUSSCGKSA-N 1 0 280.375 3.357 50 0 CGAARO CNC(=O)c1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)o1 ZINC000065434733 369675928 /nfs/dbraw/zinc/67/59/28/369675928.db2.gz HIXLBXWWBFZEBD-ZDUSSCGKSA-N 1 0 298.386 3.463 50 0 CGAARO Cc1nn(-c2cc[nH+]cc2)c(C)c1-c1ccccc1O ZINC000065468607 369676751 /nfs/dbraw/zinc/67/67/51/369676751.db2.gz RMIBEWXKASEEKZ-UHFFFAOYSA-N 1 0 265.316 3.257 50 0 CGAARO c1ccc(COC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000065585174 369683937 /nfs/dbraw/zinc/68/39/37/369683937.db2.gz URLWHMRNDGHASS-UHFFFAOYSA-N 1 0 296.414 3.305 50 0 CGAARO CCc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)nc1 ZINC000067641376 369721786 /nfs/dbraw/zinc/72/17/86/369721786.db2.gz NVHRVDWUWYNSLI-FUHWJXTLSA-N 1 0 290.451 3.263 50 0 CGAARO Cc1occc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000069813352 369771990 /nfs/dbraw/zinc/77/19/90/369771990.db2.gz DVTNNHVYZNIUTA-UHFFFAOYSA-N 1 0 298.386 3.114 50 0 CGAARO [NH3+][C@@H](COc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000069085075 369753318 /nfs/dbraw/zinc/75/33/18/369753318.db2.gz TYSKJAOBHIAYED-KRWDZBQOSA-N 1 0 253.345 3.470 50 0 CGAARO Cc1cc(C[NH2+][C@H](C)[C@H](C)n2cccn2)c2ccccc2n1 ZINC000069387485 369758230 /nfs/dbraw/zinc/75/82/30/369758230.db2.gz FEUBIUWVPWWSMC-CABCVRRESA-N 1 0 294.402 3.479 50 0 CGAARO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC(C)C ZINC000069492904 369762041 /nfs/dbraw/zinc/76/20/41/369762041.db2.gz KELNXEVBSMCUPB-IAGOWNOFSA-N 1 0 288.435 3.169 50 0 CGAARO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC(C)C ZINC000069492900 369762304 /nfs/dbraw/zinc/76/23/04/369762304.db2.gz KELNXEVBSMCUPB-IRXDYDNUSA-N 1 0 288.435 3.169 50 0 CGAARO CSCc1ccc(C[NH2+][C@@H](C)[C@H](C)n2cc(C)cn2)o1 ZINC000069538511 369763456 /nfs/dbraw/zinc/76/34/56/369763456.db2.gz PPQJFDAZMCWTDH-STQMWFEESA-N 1 0 293.436 3.387 50 0 CGAARO CC[C@@H]([NH2+]C1CSCCSC1)c1cc(C)ccn1 ZINC000067675314 369724343 /nfs/dbraw/zinc/72/43/43/369724343.db2.gz IRUSSRIFNNVDCJ-CYBMUJFWSA-N 1 0 282.478 3.279 50 0 CGAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067694513 369725187 /nfs/dbraw/zinc/72/51/87/369725187.db2.gz FQPNLLFYDDGFRY-HNNXBMFYSA-N 1 0 292.386 3.460 50 0 CGAARO Nc1nc2c(s1)[C@@H](c1ccccc1-c1ccco1)[NH2+]CC2 ZINC000071762950 369809108 /nfs/dbraw/zinc/80/91/08/369809108.db2.gz PHXZWYPQTLHYNW-CQSZACIVSA-N 1 0 297.383 3.220 50 0 CGAARO Oc1cccc(C[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000069950279 369774535 /nfs/dbraw/zinc/77/45/35/369774535.db2.gz CMTKKGNJIPWMGX-UHFFFAOYSA-N 1 0 252.317 3.163 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)C1CCC1 ZINC000108328750 296150699 /nfs/dbraw/zinc/15/06/99/296150699.db2.gz LYZZQEJEGVSHQL-SOZUMNATSA-N 1 0 265.422 3.263 50 0 CGAARO Cc1csc(C[NH2+]C[C@H](C)c2nc3ccccc3o2)n1 ZINC000078975500 369958605 /nfs/dbraw/zinc/95/86/05/369958605.db2.gz QURFYRZFWKKUTF-JTQLQIEISA-N 1 0 287.388 3.486 50 0 CGAARO CC(C)(C)OC(=O)NCc1cccc(C2CC[NH2+]CC2)c1 ZINC000075904656 369920944 /nfs/dbraw/zinc/92/09/44/369920944.db2.gz MRFONSPCWQUCAX-UHFFFAOYSA-N 1 0 290.407 3.178 50 0 CGAARO O[C@@H]1C[N@H+](Cc2cc3ccccc3o2)Cc2ccccc21 ZINC000082121620 369999778 /nfs/dbraw/zinc/99/97/78/369999778.db2.gz DMJDNGWYOCVGNS-QGZVFWFLSA-N 1 0 279.339 3.482 50 0 CGAARO Clc1cc(Br)cc(C[NH2+]C2CC2)c1 ZINC000083441961 370004741 /nfs/dbraw/zinc/00/47/41/370004741.db2.gz DZFOMXHQRNRDKF-UHFFFAOYSA-N 1 0 260.562 3.355 50 0 CGAARO c1ccc(C[NH2+]C[C@H]2C[C@@]23CCc2ccccc23)nc1 ZINC000088744983 370036872 /nfs/dbraw/zinc/03/68/72/370036872.db2.gz CQQYCQBRLCUAIR-QAPCUYQASA-N 1 0 264.372 3.075 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000089470018 370042270 /nfs/dbraw/zinc/04/22/70/370042270.db2.gz CMFKLMWYKNOEAX-INIZCTEOSA-N 1 0 256.349 3.360 50 0 CGAARO Cc1ccc(C[NH2+]CC(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000089633235 370044767 /nfs/dbraw/zinc/04/47/67/370044767.db2.gz ZWCWKMKTSVDSCN-HNNXBMFYSA-N 1 0 294.398 3.062 50 0 CGAARO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521414 370062287 /nfs/dbraw/zinc/06/22/87/370062287.db2.gz RZNLSORPQKBZDN-WMLDXEAASA-N 1 0 287.407 3.157 50 0 CGAARO COc1ccc2oc(C[N@@H+]3CCC[C@H](CCO)C3)cc2c1 ZINC000093107694 370110774 /nfs/dbraw/zinc/11/07/74/370110774.db2.gz UMRXVGVEIDWDLF-CYBMUJFWSA-N 1 0 289.375 3.036 50 0 CGAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095098704 370176364 /nfs/dbraw/zinc/17/63/64/370176364.db2.gz LRLQTKJTSIITSD-KRWDZBQOSA-N 1 0 260.425 3.384 50 0 CGAARO C[N@@H+]1CCC[C@H](CCc2ncnn2C2CCCCC2)C1 ZINC000095353821 370178044 /nfs/dbraw/zinc/17/80/44/370178044.db2.gz UELLQCCUAGKQHD-CQSZACIVSA-N 1 0 276.428 3.058 50 0 CGAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)s1 ZINC000095387219 370181119 /nfs/dbraw/zinc/18/11/19/370181119.db2.gz BIGVRJKCOOTHMJ-CQSZACIVSA-N 1 0 251.395 3.059 50 0 CGAARO CCn1cccc1C[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000095408341 370183421 /nfs/dbraw/zinc/18/34/21/370183421.db2.gz MWNOJRZKEBFSOL-UHFFFAOYSA-N 1 0 285.391 3.098 50 0 CGAARO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111182 370226068 /nfs/dbraw/zinc/22/60/68/370226068.db2.gz UXFBXLZJJWHSFP-GJZGRUSLSA-N 1 0 292.354 3.205 50 0 CGAARO CC(C)c1nnc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)n1C ZINC000097110030 370226415 /nfs/dbraw/zinc/22/64/15/370226415.db2.gz DYCOXSAEFQEPIM-KGLIPLIRSA-N 1 0 286.423 3.220 50 0 CGAARO CC1(C)[C@@H]([NH2+]CCn2ccnc2)C[C@H]1c1ccccc1 ZINC000097379774 370241113 /nfs/dbraw/zinc/24/11/13/370241113.db2.gz JSJGQMZJJHCHEM-HOTGVXAUSA-N 1 0 269.392 3.055 50 0 CGAARO CC[C@@H]([NH2+]CCc1ccc(NC(C)=O)cc1)C(C)C ZINC000095421792 370188300 /nfs/dbraw/zinc/18/83/00/370188300.db2.gz ILZVBMSPUVOBKH-MRXNPFEDSA-N 1 0 262.397 3.212 50 0 CGAARO C[C@@H](C[NH2+]CCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000095452907 370196514 /nfs/dbraw/zinc/19/65/14/370196514.db2.gz JLXHHSYAWOVKBF-LBPRGKRZSA-N 1 0 277.799 3.009 50 0 CGAARO O[C@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000095450158 370196579 /nfs/dbraw/zinc/19/65/79/370196579.db2.gz GCEBZCXFKZORBW-CABCVRRESA-N 1 0 290.794 3.281 50 0 CGAARO Cc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1C ZINC000095459511 370198884 /nfs/dbraw/zinc/19/88/84/370198884.db2.gz QQJLTDRBKUNTCB-INIZCTEOSA-N 1 0 275.392 3.079 50 0 CGAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cnc(C)s1)CC2 ZINC000095973397 370202767 /nfs/dbraw/zinc/20/27/67/370202767.db2.gz LRLAFSZBCHRGMF-CQSZACIVSA-N 1 0 288.416 3.107 50 0 CGAARO Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCC3)CC2)nc1 ZINC000170042364 372634671 /nfs/dbraw/zinc/63/46/71/372634671.db2.gz HTTRESRPPSGPLG-AWEZNQCLSA-N 1 0 273.424 3.137 50 0 CGAARO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000170619325 372643070 /nfs/dbraw/zinc/64/30/70/372643070.db2.gz RXSJUBJTFRGZCF-UHFFFAOYSA-N 1 0 280.799 3.461 50 0 CGAARO Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c(Cl)cc1F ZINC000299756639 373609612 /nfs/dbraw/zinc/60/96/12/373609612.db2.gz GQXQUTAZTSVUJL-SNVBAGLBSA-N 1 0 299.777 3.051 50 0 CGAARO CC(C)(C)c1ccc(C(C)(C)CNC2=[NH+]CCCN2)cc1 ZINC000252499835 189978861 /nfs/dbraw/zinc/97/88/61/189978861.db2.gz SFYCYBSVYPNIQY-UHFFFAOYSA-N 1 0 287.451 3.201 50 0 CGAARO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccccn1)C2 ZINC000192437641 375748948 /nfs/dbraw/zinc/74/89/48/375748948.db2.gz OXEBCWBMUFCTCG-UKRRQHHQSA-N 1 0 282.387 3.298 50 0 CGAARO CC(C)c1ccc2c(c1)CCCN2C(=O)CC[C@H](C)[NH3+] ZINC000193194753 375838998 /nfs/dbraw/zinc/83/89/98/375838998.db2.gz GUOHVNGYMKFQLE-ZDUSSCGKSA-N 1 0 274.408 3.217 50 0 CGAARO C[C@H](CC[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000193885467 375935936 /nfs/dbraw/zinc/93/59/36/375935936.db2.gz DCCKAGABDXKKPM-WBVHZDCISA-N 1 0 284.407 3.109 50 0 CGAARO C[C@H](C[NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000194697848 376035240 /nfs/dbraw/zinc/03/52/40/376035240.db2.gz BKQGSYWXCGUGTO-COXVUDFISA-N 1 0 259.393 3.337 50 0 CGAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000195529995 376112023 /nfs/dbraw/zinc/11/20/23/376112023.db2.gz BJEUFPWCOVJBPU-CRAIPNDOSA-N 1 0 281.403 3.007 50 0 CGAARO c1nn2cccnc2c1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000215323059 376145843 /nfs/dbraw/zinc/14/58/43/376145843.db2.gz AFHYOZHSZHATER-UHFFFAOYSA-N 1 0 290.370 3.019 50 0 CGAARO CN(Cc1ncc[nH]1)Cc1ccc(C(C)(C)C)cc1 ZINC000215605484 376150201 /nfs/dbraw/zinc/15/02/01/376150201.db2.gz YTOMHLOOKPNBTN-UHFFFAOYSA-N 1 0 257.381 3.339 50 0 CGAARO COc1c(F)cccc1C[N@H+](C)CCC[C@@H]1CCCO1 ZINC000215803053 376152149 /nfs/dbraw/zinc/15/21/49/376152149.db2.gz JWBVLIUXKFSMBW-CQSZACIVSA-N 1 0 281.371 3.225 50 0 CGAARO Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000215903754 376152975 /nfs/dbraw/zinc/15/29/75/376152975.db2.gz OJAWLYACQSQNLZ-RDJZCZTQSA-N 1 0 277.383 3.261 50 0 CGAARO CN(Cc1ncc[nH]1)Cc1ccc(OC2CCCC2)cc1 ZINC000216073284 376156644 /nfs/dbraw/zinc/15/66/44/376156644.db2.gz DFGRZDSWYGZPOK-UHFFFAOYSA-N 1 0 285.391 3.363 50 0 CGAARO CN(CC[NH2+][C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000225402878 376307563 /nfs/dbraw/zinc/30/75/63/376307563.db2.gz DVLSRRXJIIBOQD-GOSISDBHSA-N 1 0 296.414 3.496 50 0 CGAARO CC[N@H+](CCO)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225532676 376313955 /nfs/dbraw/zinc/31/39/55/376313955.db2.gz GPQBAAMECRZNBC-UHFFFAOYSA-N 1 0 277.339 3.208 50 0 CGAARO COC(=O)CCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000225514232 376314760 /nfs/dbraw/zinc/31/47/60/376314760.db2.gz IQSOHEAANWUYKH-NVXWUHKLSA-N 1 0 289.419 3.455 50 0 CGAARO Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@@H]3C(C)C)nc12 ZINC000225395912 376306055 /nfs/dbraw/zinc/30/60/55/376306055.db2.gz ORCJAYNXDBJJAY-MRXNPFEDSA-N 1 0 299.418 3.013 50 0 CGAARO CC(C)c1ccc(CCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236636559 376674846 /nfs/dbraw/zinc/67/48/46/376674846.db2.gz SWOHKCLRTQOZRK-WMLDXEAASA-N 1 0 288.435 3.081 50 0 CGAARO Fc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000240412650 376773974 /nfs/dbraw/zinc/77/39/74/376773974.db2.gz FNOLKSRXYQOBCI-AWEZNQCLSA-N 1 0 282.790 3.149 50 0 CGAARO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@]1(C)CCCO1 ZINC000239762113 376775122 /nfs/dbraw/zinc/77/51/22/376775122.db2.gz CKVPOQIRZSLGGB-GUYCJALGSA-N 1 0 272.392 3.258 50 0 CGAARO CC(C)c1ccc(OCC[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000243956693 376789058 /nfs/dbraw/zinc/78/90/58/376789058.db2.gz CCAVVMVPITXJIL-OAHLLOKOSA-N 1 0 277.408 3.157 50 0 CGAARO [NH3+]CCCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000238065032 376767272 /nfs/dbraw/zinc/76/72/72/376767272.db2.gz WMOHHLIIIAWSLW-UHFFFAOYSA-N 1 0 294.826 3.007 50 0 CGAARO COc1ccccc1C1CC[NH+](CCn2nccc2C)CC1 ZINC000244882650 376798626 /nfs/dbraw/zinc/79/86/26/376798626.db2.gz XVUSJSWZGLKXDM-UHFFFAOYSA-N 1 0 299.418 3.080 50 0 CGAARO CCC[N@H+](Cc1ccsc1)Cc1cc(=O)c(OC)c[nH]1 ZINC000244678545 376793573 /nfs/dbraw/zinc/79/35/73/376793573.db2.gz IFOORXLJNWFFTQ-UHFFFAOYSA-N 1 0 292.404 3.270 50 0 CGAARO CC(=O)Nc1cccc2c1CC[N@@H+](CCSC(C)C)C2 ZINC000252481739 377627129 /nfs/dbraw/zinc/62/71/29/377627129.db2.gz CRBNRURDUVEOCG-UHFFFAOYSA-N 1 0 292.448 3.145 50 0 CGAARO C[N@H+](CCSC1CCCCC1)C[C@@H]1CCOC1 ZINC000252481972 377629120 /nfs/dbraw/zinc/62/91/20/377629120.db2.gz CWBUYGUCERSRAZ-ZDUSSCGKSA-N 1 0 257.443 3.021 50 0 CGAARO c1ccc2c(c1)N[C@@H]1[C@@H]2CC[N@@H+]2C[C@@H]3CCCC[C@H]3[C@@H]12 ZINC000252694493 377652717 /nfs/dbraw/zinc/65/27/17/377652717.db2.gz LKHAUIVLOLWBIF-MMGJPBGESA-N 1 0 268.404 3.459 50 0 biogenic CGAARO CC(C)[N@H+](CCSC(C)(C)C)C1CCOCC1 ZINC000253393711 377689280 /nfs/dbraw/zinc/68/92/80/377689280.db2.gz PGXRGOMHSZPGMP-UHFFFAOYSA-N 1 0 259.459 3.408 50 0 CGAARO Cc1cc(N2CCC(Cc3cccnc3)CC2)cc[nH+]1 ZINC000253418072 377691568 /nfs/dbraw/zinc/69/15/68/377691568.db2.gz IXSRUVZCXORLFY-UHFFFAOYSA-N 1 0 267.376 3.244 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1C ZINC000253598340 377701661 /nfs/dbraw/zinc/70/16/61/377701661.db2.gz IOPGFDMOEJNSMP-ZIAGYGMSSA-N 1 0 292.448 3.145 50 0 CGAARO O=C(c1ccsc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257178467 377793062 /nfs/dbraw/zinc/79/30/62/377793062.db2.gz GJRWRDYOLINEBD-AWEZNQCLSA-N 1 0 292.448 3.086 50 0 CGAARO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC1(C)COC1 ZINC000345945564 378416642 /nfs/dbraw/zinc/41/66/42/378416642.db2.gz ZOWQIZKDMSHXIQ-UHFFFAOYSA-N 1 0 289.297 3.054 50 0 CGAARO CCC[C@@]1(CO)CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000377492406 379686664 /nfs/dbraw/zinc/68/66/64/379686664.db2.gz JORMXQYCAZZLSJ-MRXNPFEDSA-N 1 0 296.480 3.425 50 0 CGAARO c1cc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)n[nH]1 ZINC000286382934 380205422 /nfs/dbraw/zinc/20/54/22/380205422.db2.gz ZCWKYZNJGPRIEH-MRXNPFEDSA-N 1 0 294.358 3.402 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000000176646 169564784 /nfs/dbraw/zinc/56/47/84/169564784.db2.gz SZRQXUGRQPIDLF-CHWSQXEVSA-N 1 0 278.371 3.132 50 0 CGAARO CC(=O)O[C@]1(c2ccccc2)CCCC[C@@H]1C[NH+](C)C ZINC000000185598 169567998 /nfs/dbraw/zinc/56/79/98/169567998.db2.gz LZVWWRCQKVEPAX-SJORKVTESA-N 1 0 275.392 3.197 50 0 CGAARO CCCCc1cn(C2CC[NH+]([C@@H](C)CC3CC3)CC2)nn1 ZINC000048130368 256876571 /nfs/dbraw/zinc/87/65/71/256876571.db2.gz KGGDEHQHTHCCQE-AWEZNQCLSA-N 1 0 290.455 3.446 50 0 CGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc3c2OCO3)c1 ZINC000055281160 256877439 /nfs/dbraw/zinc/87/74/39/256877439.db2.gz QVEWDHAPFWIJAC-CQSZACIVSA-N 1 0 298.386 3.182 50 0 CGAARO CC(C)c1cccc(C(C)C)c1OCCC[NH2+]CCO ZINC000002901198 391915837 /nfs/dbraw/zinc/91/58/37/391915837.db2.gz BGNGFZHNOXUHAE-UHFFFAOYSA-N 1 0 279.424 3.284 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C(C)C)[C@@H]1C ZINC000033878995 391973400 /nfs/dbraw/zinc/97/34/00/391973400.db2.gz TZKMUTIJRAEZBG-RHSMWYFYSA-N 1 0 275.392 3.338 50 0 CGAARO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c[nH]nc1C ZINC000037118590 391980471 /nfs/dbraw/zinc/98/04/71/391980471.db2.gz ZDUOQXDIUBOMTD-AWEZNQCLSA-N 1 0 273.380 3.423 50 0 CGAARO C[C@H]([C@H](C)[NH2+]Cc1cc(-c2ccccc2)no1)n1cccn1 ZINC000069973895 392175890 /nfs/dbraw/zinc/17/58/90/392175890.db2.gz SMEWFOFGTYAMFM-UONOGXRCSA-N 1 0 296.374 3.277 50 0 CGAARO CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000095971052 392243939 /nfs/dbraw/zinc/24/39/39/392243939.db2.gz UNWSOLHSMARCSW-ZDUSSCGKSA-N 1 0 268.316 3.262 50 0 CGAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000095883693 392244017 /nfs/dbraw/zinc/24/40/17/392244017.db2.gz XBRUNVZVLNSKHL-ZDUSSCGKSA-N 1 0 262.353 3.370 50 0 CGAARO C[C@H](c1cccc(-c2ccc3[nH]nc(N)c3c2)c1)[NH+](C)C ZINC000096150514 392245398 /nfs/dbraw/zinc/24/53/98/392245398.db2.gz PXGDZFHSEURDRN-LLVKDONJSA-N 1 0 280.375 3.435 50 0 CGAARO Cc1cccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)c1 ZINC000096403867 392249500 /nfs/dbraw/zinc/24/95/00/392249500.db2.gz BHTPUFOAUYNKNS-GOSISDBHSA-N 1 0 292.386 3.118 50 0 CGAARO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000328587287 392676174 /nfs/dbraw/zinc/67/61/74/392676174.db2.gz VYHBPWSGRZIAMS-CXAGYDPISA-N 1 0 285.391 3.012 50 0 CGAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000190043985 392810377 /nfs/dbraw/zinc/81/03/77/392810377.db2.gz UNSVCDYBOCCCOE-ZIAGYGMSSA-N 1 0 268.426 3.445 50 0 CGAARO Cc1cnc(CC[NH2+][C@@H](C)c2cccc(O)c2)s1 ZINC000194901511 392945103 /nfs/dbraw/zinc/94/51/03/392945103.db2.gz HOBXVSBZQRXKMR-NSHDSACASA-N 1 0 262.378 3.050 50 0 CGAARO CCn1ccc2cc(C[N@@H+]3CC[C@H](COC)C3)ccc21 ZINC000215472444 392986500 /nfs/dbraw/zinc/98/65/00/392986500.db2.gz XITFFNKQYBTQMG-HNNXBMFYSA-N 1 0 272.392 3.130 50 0 CGAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215127169 392986536 /nfs/dbraw/zinc/98/65/36/392986536.db2.gz DWMYFEOOENVIKH-CYBMUJFWSA-N 1 0 289.379 3.061 50 0 CGAARO Cc1ccc(CN(C)Cc2cc(C[NH+](C)C)cs2)o1 ZINC000215275220 392986919 /nfs/dbraw/zinc/98/69/19/392986919.db2.gz ZKLHXCUOUURIGZ-UHFFFAOYSA-N 1 0 278.421 3.343 50 0 CGAARO C[C@H](c1cccc(Cl)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000059931887 299636089 /nfs/dbraw/zinc/63/60/89/299636089.db2.gz ONCUGBITRRXBAY-GFCCVEGCSA-N 1 0 281.783 3.240 50 0 CGAARO Cc1cccc2[nH]c(C[N@H+](C)CC[C@@H]3CC3(F)F)nc21 ZINC000670440212 543154117 /nfs/dbraw/zinc/15/41/17/543154117.db2.gz FRLLJVWSUYMXBD-LLVKDONJSA-N 1 0 279.334 3.348 50 0 CGAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(Cc1cc3ccccc3[nH]1)C2 ZINC000670435460 543154225 /nfs/dbraw/zinc/15/42/25/543154225.db2.gz LRKLXFDIGXIILI-YOEHRIQHSA-N 1 0 283.419 3.084 50 0 CGAARO Cc1ccccc1OC[C@@H]1CCC[N@H+](CCc2ncc[nH]2)C1 ZINC000670462173 543156594 /nfs/dbraw/zinc/15/65/94/543156594.db2.gz IIVSLXTUVQIOQD-MRXNPFEDSA-N 1 0 299.418 3.052 50 0 CGAARO c1sc(C[NH2+][C@@H]2CCOC2)cc1COc1ccccc1 ZINC000670472667 543157441 /nfs/dbraw/zinc/15/74/41/543157441.db2.gz LLAGLBJPOYJIAD-CQSZACIVSA-N 1 0 289.400 3.206 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000093236634 397642164 /nfs/dbraw/zinc/64/21/64/397642164.db2.gz UKBIRLQQBAEKKG-BBBYJDLNSA-N 1 0 262.397 3.016 50 0 CGAARO c1ccc2c(c1)cccc2OCCOCC[NH+]1CCCC1 ZINC000002895565 169842596 /nfs/dbraw/zinc/84/25/96/169842596.db2.gz IYPPVUXSJHNOLH-UHFFFAOYSA-N 1 0 285.387 3.331 50 0 CGAARO C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000003346502 169881503 /nfs/dbraw/zinc/88/15/03/169881503.db2.gz WQXGLWXDVMXQES-UHFFFAOYSA-N 1 0 266.138 3.429 50 0 CGAARO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N[C@H]3[C@@H](C)[C@H]1C[C@H]24 ZINC000004000040 169928520 /nfs/dbraw/zinc/92/85/20/169928520.db2.gz KNZUAMRYQXIWSR-PWFRQKOXSA-N 1 0 282.431 3.489 50 0 biogenic CGAARO O[C@@]1(c2ccccc2)CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000004828146 170025115 /nfs/dbraw/zinc/02/51/15/170025115.db2.gz NYYZELOAEDIUSR-SJORKVTESA-N 1 0 259.393 3.303 50 0 CGAARO c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000004949604 170044589 /nfs/dbraw/zinc/04/45/89/170044589.db2.gz ZZWIYXVNVZCOSL-UHFFFAOYSA-N 1 0 280.415 3.441 50 0 CGAARO C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000005031865 170058865 /nfs/dbraw/zinc/05/88/65/170058865.db2.gz TVLRBVCAHBHTEH-LBPRGKRZSA-N 1 0 257.337 3.111 50 0 CGAARO Cc1ccc(OCCOCC[NH2+]C(C)(C)C)cc1C ZINC000005042581 170059634 /nfs/dbraw/zinc/05/96/34/170059634.db2.gz NUUCCBQEMNZFHR-UHFFFAOYSA-N 1 0 265.397 3.087 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000005051600 170061403 /nfs/dbraw/zinc/06/14/03/170061403.db2.gz HVITVSLACDLDPT-YQQAZPJKSA-N 1 0 291.435 3.021 50 0 CGAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]C2CCCC2)c1 ZINC000005068092 170063581 /nfs/dbraw/zinc/06/35/81/170063581.db2.gz BGYQTSBPTXZNPZ-MRXNPFEDSA-N 1 0 291.435 3.390 50 0 CGAARO c1ccc(Cc2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC000014631943 170640475 /nfs/dbraw/zinc/64/04/75/170640475.db2.gz DIRCTRDRNRKALL-UHFFFAOYSA-N 1 0 267.372 3.408 50 0 CGAARO c1ccc2cc(C[NH2+]CCN3CCCC3)ccc2c1 ZINC000020126709 171011197 /nfs/dbraw/zinc/01/11/97/171011197.db2.gz PHDGROVWKCTROT-UHFFFAOYSA-N 1 0 254.377 3.025 50 0 CGAARO C[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CC12CCC2 ZINC000020204954 171069983 /nfs/dbraw/zinc/06/99/83/171069983.db2.gz IGLXRTCFVJAZDZ-LBPRGKRZSA-N 1 0 287.382 3.367 50 0 CGAARO [NH3+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000020391211 171179624 /nfs/dbraw/zinc/17/96/24/171179624.db2.gz SPJBOTWJLJIHLV-ZDUSSCGKSA-N 1 0 262.150 3.497 50 0 CGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000020599521 171266285 /nfs/dbraw/zinc/26/62/85/171266285.db2.gz USYCFDVCQNCTBO-HNNXBMFYSA-N 1 0 287.382 3.491 50 0 CGAARO COc1ccc(C[NH+]2CCCCCC2)c(OC)c1OC ZINC000022591848 171393529 /nfs/dbraw/zinc/39/35/29/171393529.db2.gz BHXZTZMHVZCHSY-UHFFFAOYSA-N 1 0 279.380 3.088 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000033040225 171768759 /nfs/dbraw/zinc/76/87/59/171768759.db2.gz LWZIQOZBSUKGMK-AWEZNQCLSA-N 1 0 298.386 3.120 50 0 CGAARO O=C(C[NH2+]C1CCCC1)Nc1c(Cl)cccc1Cl ZINC000035159860 172018134 /nfs/dbraw/zinc/01/81/34/172018134.db2.gz BDRACAOSGRKWES-UHFFFAOYSA-N 1 0 287.190 3.464 50 0 CGAARO Brc1ccc(-c2c[nH]c([C@H]3CCC[NH2+]3)n2)cc1 ZINC000036874167 172771364 /nfs/dbraw/zinc/77/13/64/172771364.db2.gz JZZIKMCTVRNYTF-LLVKDONJSA-N 1 0 292.180 3.264 50 0 CGAARO CC(C)[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1 ZINC000037235869 173054633 /nfs/dbraw/zinc/05/46/33/173054633.db2.gz SNWUGVVPWOJRBO-QGZVFWFLSA-N 1 0 280.375 3.216 50 0 CGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1cccc(Cl)c1 ZINC000040283566 174219273 /nfs/dbraw/zinc/21/92/73/174219273.db2.gz GLEXRQSWTSVNKB-RDJZCZTQSA-N 1 0 298.773 3.265 50 0 CGAARO C1CCC(NC2=[NH+]CCCNC23CCCCC3)CC1 ZINC000045913591 175386089 /nfs/dbraw/zinc/38/60/89/175386089.db2.gz GPRMUPOYYIACLR-UHFFFAOYSA-N 1 0 263.429 3.003 50 0 biogenic CGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CCc2cccs2)c1 ZINC000069489739 175833978 /nfs/dbraw/zinc/83/39/78/175833978.db2.gz QTYWDUQCLQFVFD-QWHCGFSZSA-N 1 0 263.410 3.035 50 0 CGAARO C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000071401375 176153477 /nfs/dbraw/zinc/15/34/77/176153477.db2.gz PAXPEQXTVOMQTL-FMKPAKJESA-N 1 0 274.408 3.114 50 0 CGAARO Oc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000071763562 176261686 /nfs/dbraw/zinc/26/16/86/176261686.db2.gz LIGASLHGXYXZEQ-KZNFOHLHSA-N 1 0 257.377 3.260 50 0 CGAARO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000071797313 176264987 /nfs/dbraw/zinc/26/49/87/176264987.db2.gz SHXNCGLJONAIIJ-MRXNPFEDSA-N 1 0 255.365 3.066 50 0 CGAARO Cn1ccnc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000071849911 176276593 /nfs/dbraw/zinc/27/65/93/176276593.db2.gz PGKUAGNXBSYYSX-INIZCTEOSA-N 1 0 269.392 3.017 50 0 CGAARO CN1CCC([N@@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)CC1 ZINC000072153691 176328267 /nfs/dbraw/zinc/32/82/67/176328267.db2.gz YXELGGXCJOVLRI-QGZVFWFLSA-N 1 0 299.462 3.334 50 0 CGAARO Cc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)s1 ZINC000072242434 176349136 /nfs/dbraw/zinc/34/91/36/176349136.db2.gz CXWVKAWWPDSFNH-MRXNPFEDSA-N 1 0 298.415 3.179 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(C)s1 ZINC000072298387 176363780 /nfs/dbraw/zinc/36/37/80/176363780.db2.gz LIQDXUARVQUJIB-CQSZACIVSA-N 1 0 275.421 3.440 50 0 CGAARO Cc1nc(Cl)cc(C2CC[NH+](C(C)C)CC2)n1 ZINC000072343862 176372265 /nfs/dbraw/zinc/37/22/65/176372265.db2.gz GQZCUBUXSXGRNP-UHFFFAOYSA-N 1 0 253.777 3.026 50 0 CGAARO c1csc(CC[C@H]2CCCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000077459910 177271357 /nfs/dbraw/zinc/27/13/57/177271357.db2.gz HJBJCFGQDRVLDB-CYBMUJFWSA-N 1 0 275.421 3.459 50 0 CGAARO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)[nH]n1 ZINC000685939591 544110054 /nfs/dbraw/zinc/11/00/54/544110054.db2.gz UHYRDCILNLILQG-HIFRSBDPSA-N 1 0 270.380 3.054 50 0 CGAARO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)C(C)(C)C(F)F ZINC000657833260 419378881 /nfs/dbraw/zinc/37/88/81/419378881.db2.gz QTNYTXHLYCUAQJ-LLVKDONJSA-N 1 0 294.349 3.037 50 0 CGAARO CC(C)[C@H](O)[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288537 419738837 /nfs/dbraw/zinc/73/88/37/419738837.db2.gz VLYYESWPIWCQRQ-ULQDDVLXSA-N 1 0 289.419 3.046 50 0 CGAARO COc1ccccc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019688762 260114407 /nfs/dbraw/zinc/11/44/07/260114407.db2.gz MUMKUSWYWKUMKC-QGZVFWFLSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO COc1ccccc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019688760 260114732 /nfs/dbraw/zinc/11/47/32/260114732.db2.gz MUMKUSWYWKUMKC-KRWDZBQOSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO Cc1c([C@@H](C)[NH3+])cnn1-c1cccc(C(F)(F)F)c1 ZINC000012803905 274665385 /nfs/dbraw/zinc/66/53/85/274665385.db2.gz UVRWRQDSRLDHOL-MRVPVSSYSA-N 1 0 269.270 3.219 50 0 CGAARO c1ccc2c(c1)CCC([NH2+][C@H]1CCO[C@@H](C3CC3)C1)CC2 ZINC000334521953 275069533 /nfs/dbraw/zinc/06/95/33/275069533.db2.gz HXEVKSITGMYHEY-RBUKOAKNSA-N 1 0 285.431 3.481 50 0 CGAARO CC1[N+](=O)[C@@H](c2ccccc2C(F)(F)F)N(O)C1(C)C ZINC000000195005 275926271 /nfs/dbraw/zinc/92/62/71/275926271.db2.gz OXBFEUUADKEQJE-LLVKDONJSA-N 1 0 288.269 3.159 50 0 CGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccccc1 ZINC000019798374 277940584 /nfs/dbraw/zinc/94/05/84/277940584.db2.gz VGWBMVBBCGVTFI-KRWDZBQOSA-N 1 0 278.355 3.412 50 0 CGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCCCC1 ZINC000008730438 277940847 /nfs/dbraw/zinc/94/08/47/277940847.db2.gz VFZZDTYOYBISRU-UHFFFAOYSA-N 1 0 270.376 3.482 50 0 CGAARO C[C@@H]([NH2+]Cc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000054767661 278359788 /nfs/dbraw/zinc/35/97/88/278359788.db2.gz JNEVXNXYRUFRDX-SNVBAGLBSA-N 1 0 281.281 3.346 50 0 CGAARO CCCc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000003684359 278985427 /nfs/dbraw/zinc/98/54/27/278985427.db2.gz SDSWGMRXRGFCQR-QGZVFWFLSA-N 1 0 291.435 3.111 50 0 CGAARO Cc1ccc2c(c1)c(-c1cccc3c1CC[NH2+]C3)nn2C ZINC000071764245 281128949 /nfs/dbraw/zinc/12/89/49/281128949.db2.gz VZEZRXBPAHJNQW-UHFFFAOYSA-N 1 0 277.371 3.194 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828169 293099758 /nfs/dbraw/zinc/09/97/58/293099758.db2.gz WXADSKXFHYXCKH-FUHWJXTLSA-N 1 0 299.418 3.284 50 0 CGAARO c1ccc(C2([NH2+][C@H]3CCCSC3)CCOCC2)cc1 ZINC000534593136 328318878 /nfs/dbraw/zinc/31/88/78/328318878.db2.gz PYTSWPLKWGZSLD-HNNXBMFYSA-N 1 0 277.433 3.178 50 0 CGAARO CCCn1ncnc1[C@@H](C)[NH2+]C1CCCCCC1 ZINC000534642919 328329187 /nfs/dbraw/zinc/32/91/87/328329187.db2.gz ORUZVISUMNNFGF-GFCCVEGCSA-N 1 0 250.390 3.062 50 0 CGAARO Fc1ccc(-c2csc(C[NH2+][C@@H]3CCCOC3)n2)cc1 ZINC000534642375 328329202 /nfs/dbraw/zinc/32/92/02/328329202.db2.gz ZQGBDDCMCVNEGS-CYBMUJFWSA-N 1 0 292.379 3.218 50 0 CGAARO CCSC[C@H](C)[NH2+]CCOc1cccc2cccnc21 ZINC000534632932 328332148 /nfs/dbraw/zinc/33/21/48/328332148.db2.gz QHEKFIARFIEUOY-ZDUSSCGKSA-N 1 0 290.432 3.345 50 0 CGAARO C[C@H](CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[S@@](C)=O ZINC000195565465 336056418 /nfs/dbraw/zinc/05/64/18/336056418.db2.gz IPECYTQNNIXORO-LLKNDRQVSA-N 1 0 293.476 3.315 50 0 CGAARO Cc1cc(C[NH2+]Cc2ccc(C(C)C)cc2)n(C)n1 ZINC000089183597 524760263 /nfs/dbraw/zinc/76/02/63/524760263.db2.gz YOYDPZJDEHRURO-UHFFFAOYSA-N 1 0 257.381 3.142 50 0 CGAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000096441699 529234565 /nfs/dbraw/zinc/23/45/65/529234565.db2.gz BONGIWSGQOJMKQ-KBPBESRZSA-N 1 0 250.411 3.188 50 0 CGAARO Cc1cc(Cl)ccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161247779 618616321 /nfs/dbraw/zinc/61/63/21/618616321.db2.gz AVENQRWWLPHCDK-UHFFFAOYSA-N 1 0 292.810 3.005 50 0 CGAARO C[C@@H]1C[C@@](O)(c2ccccc2)[C@H](C)C[N@@H+]1C(C)(C)C ZINC000004020003 619028623 /nfs/dbraw/zinc/02/86/23/619028623.db2.gz WAYZJBMQUCOOHW-CPUCHLNUSA-N 1 0 261.409 3.403 50 0 CGAARO CC(C)=CC[NH2+][C@@H](C)c1cnc(-c2ccncc2)nc1C ZINC000012072530 625982279 /nfs/dbraw/zinc/98/22/79/625982279.db2.gz KNLODURZDJZZEK-ZDUSSCGKSA-N 1 0 282.391 3.464 50 0 CGAARO O=C1CC[C@H]([NH+]2CCCCC2)CCN1Cc1ccccc1 ZINC000012161734 625990921 /nfs/dbraw/zinc/99/09/21/625990921.db2.gz QYJKRWSCIKREGF-KRWDZBQOSA-N 1 0 286.419 3.054 50 0 CGAARO O=C1C[C@@H]([NH2+]Cc2ccsc2)CN1C1CCCCCC1 ZINC000012387499 626069965 /nfs/dbraw/zinc/06/99/65/626069965.db2.gz GOAZSHNQNDTNLF-CQSZACIVSA-N 1 0 292.448 3.161 50 0 CGAARO c1ccc(NCCC[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000863984704 629721015 /nfs/dbraw/zinc/72/10/15/629721015.db2.gz ZVPWZEHNUAKFKC-SFHVURJKSA-N 1 0 288.435 3.283 50 0 CGAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccccc2)o1 ZINC000864091449 629766161 /nfs/dbraw/zinc/76/61/61/629766161.db2.gz VUVBSIPKOBLLNK-HOCLYGCPSA-N 1 0 297.402 3.010 50 0 CGAARO Cn1cccc1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952964606 636775583 /nfs/dbraw/zinc/77/55/83/636775583.db2.gz AWRLPFYSNDOVLZ-UHFFFAOYSA-N 1 0 297.402 3.263 50 0 CGAARO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093530244 640774055 /nfs/dbraw/zinc/77/40/55/640774055.db2.gz HZGCJBKYSSQDRY-GFCCVEGCSA-N 1 0 266.410 3.002 50 0 CGAARO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1)CCO2 ZINC000187547678 799118613 /nfs/dbraw/zinc/11/86/13/799118613.db2.gz UHPLUKHPUBFFAI-MRXNPFEDSA-N 1 0 284.359 3.094 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000585093626 799678068 /nfs/dbraw/zinc/67/80/68/799678068.db2.gz PJXNLNYCZUQSAL-DZGCQCFKSA-N 1 0 287.432 3.348 50 0 CGAARO CC[N@@H+]1CCCC[C@H]1CNc1nnc(C)c2ccccc21 ZINC000823113167 800465136 /nfs/dbraw/zinc/46/51/36/800465136.db2.gz DNNQRFJBGZOPCL-AWEZNQCLSA-N 1 0 284.407 3.225 50 0 CGAARO Cc1cc(F)ccc1Cc1noc(CN(C)C2CCC2)n1 ZINC000952876759 800686075 /nfs/dbraw/zinc/68/60/75/800686075.db2.gz WDJQUMVBQLVHRR-UHFFFAOYSA-N 1 0 289.354 3.092 50 0 CGAARO C[N@@H+]1CCC[C@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000952883256 800687319 /nfs/dbraw/zinc/68/73/19/800687319.db2.gz SNECPHKCFMPHPQ-ZDUSSCGKSA-N 1 0 280.331 3.052 50 0 CGAARO c1nc(CNC[C@@H](c2ccccc2)[NH+]2CCCCCC2)c[nH]1 ZINC000952960175 800688245 /nfs/dbraw/zinc/68/82/45/800688245.db2.gz COLOGPOHVJZLJO-SFHVURJKSA-N 1 0 298.434 3.117 50 0 CGAARO c1csc(CNC2(C[NH+]3CCCCC3)CCCCC2)n1 ZINC000952960103 800688344 /nfs/dbraw/zinc/68/83/44/800688344.db2.gz MKLVAKLNOAFLNZ-UHFFFAOYSA-N 1 0 293.480 3.422 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]C1CSCCSC1 ZINC001506427475 927399593 /nfs/dbraw/zinc/39/95/93/927399593.db2.gz LRZWRMQQEWIMSN-ZDUSSCGKSA-N 1 0 281.490 3.446 50 0 CGAARO C[C@H](CCCC(C)(C)O)CC[NH2+][C@@H]1CCSC1 ZINC000032520403 927600842 /nfs/dbraw/zinc/60/08/42/927600842.db2.gz BNZIGBVZQQFVCX-CHWSQXEVSA-N 1 0 259.459 3.049 50 0 CGAARO Fc1cccc(Cl)c1C[NH2+]C1CSCCSC1 ZINC001506423410 937990072 /nfs/dbraw/zinc/99/00/72/937990072.db2.gz WBJYYIYGLUHLJI-UHFFFAOYSA-N 1 0 291.844 3.417 50 0 CGAARO CCc1nn(C)cc1CNc1ccccc1C[NH+]1CCCC1 ZINC000096490218 230382470 /nfs/dbraw/zinc/38/24/70/230382470.db2.gz BJEQWLXAFRMJHA-UHFFFAOYSA-N 1 0 298.434 3.190 50 0 CGAARO C[C@H](CO)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493424 230383437 /nfs/dbraw/zinc/38/34/37/230383437.db2.gz OINYDUKDAGCZAL-RKDXNWHRSA-N 1 0 253.729 3.118 50 0 CGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000097971396 230388683 /nfs/dbraw/zinc/38/86/83/230388683.db2.gz DPVJCQDVCXQFIX-SFHVURJKSA-N 1 0 294.398 3.112 50 0 CGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000095951428 185040230 /nfs/dbraw/zinc/04/02/30/185040230.db2.gz KWRCJIYFLXVEER-KWCYVHTRSA-N 1 0 277.412 3.497 50 0 CGAARO CC[N@H+](Cc1csc(COC)n1)C1CCCCC1 ZINC000095962559 185044793 /nfs/dbraw/zinc/04/47/93/185044793.db2.gz HXVLSVGGRZBBKR-UHFFFAOYSA-N 1 0 268.426 3.444 50 0 CGAARO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000095968360 185046160 /nfs/dbraw/zinc/04/61/60/185046160.db2.gz VJXIMLANCGEADC-GXSJLCMTSA-N 1 0 291.819 3.244 50 0 CGAARO CSC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000095968288 185046212 /nfs/dbraw/zinc/04/62/12/185046212.db2.gz CYNSCETXJPJUCK-MFKMUULPSA-N 1 0 273.829 3.105 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@@H](C)CSC)c(OC)c1 ZINC000095968190 185046294 /nfs/dbraw/zinc/04/62/94/185046294.db2.gz STDBGURJCRFXRA-QWRGUYRKSA-N 1 0 269.410 3.106 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc2ccccn2c1 ZINC000095971533 185048370 /nfs/dbraw/zinc/04/83/70/185048370.db2.gz XOFVNEPJIYITGH-UHFFFAOYSA-N 1 0 293.370 3.301 50 0 CGAARO CCC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974229 185050372 /nfs/dbraw/zinc/05/03/72/185050372.db2.gz VKUNOHLYEAHMJT-INMHGKMJSA-N 1 0 273.424 3.139 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983773 185054468 /nfs/dbraw/zinc/05/44/68/185054468.db2.gz JSQPDEFUONEKJH-DOMZBBRYSA-N 1 0 279.355 3.162 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000095982397 185054470 /nfs/dbraw/zinc/05/44/70/185054470.db2.gz LWVDVRREDIRAGJ-MRXNPFEDSA-N 1 0 275.323 3.248 50 0 CGAARO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(CO)o1 ZINC000097032738 185156223 /nfs/dbraw/zinc/15/62/23/185156223.db2.gz WBVIIYNBCNIQKG-UKRRQHHQSA-N 1 0 271.360 3.150 50 0 CGAARO C[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000003683498 344859675 /nfs/dbraw/zinc/85/96/75/344859675.db2.gz GALMFCIMTCNSMV-KRWDZBQOSA-N 1 0 286.463 3.425 50 0 CGAARO CCCC[NH2+]CCOCCOc1ccc(CC)cc1 ZINC000005042537 344860845 /nfs/dbraw/zinc/86/08/45/344860845.db2.gz PDMDNBVNEQZILR-UHFFFAOYSA-N 1 0 265.397 3.034 50 0 CGAARO C[C@@H](C[NH2+]C(C)(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000034454676 344939842 /nfs/dbraw/zinc/93/98/42/344939842.db2.gz QGWPHKRZVNQLLD-LBPRGKRZSA-N 1 0 272.392 3.385 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000058581432 345198102 /nfs/dbraw/zinc/19/81/02/345198102.db2.gz WXEWLRCQPDLAAV-HIFRSBDPSA-N 1 0 292.448 3.144 50 0 CGAARO Clc1cc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)ccn1 ZINC000075109042 345495471 /nfs/dbraw/zinc/49/54/71/345495471.db2.gz HWCKTTLPUILFQT-OLZOCXBDSA-N 1 0 250.773 3.500 50 0 CGAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000089910017 345777082 /nfs/dbraw/zinc/77/70/82/345777082.db2.gz IGGWDIYMJQVBRP-WFASDCNBSA-N 1 0 298.390 3.283 50 0 CGAARO [NH3+]CCC[C@@H](Cc1ccccc1)Oc1ccccc1 ZINC000096027227 345901650 /nfs/dbraw/zinc/90/16/50/345901650.db2.gz XTDNQPFXZXGRHW-KRWDZBQOSA-N 1 0 255.361 3.416 50 0 CGAARO C[N@@H+]1CCC[C@@](O)(c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027086 345901655 /nfs/dbraw/zinc/90/16/55/345901655.db2.gz YQFNVAOMKYBVNT-RBUKOAKNSA-N 1 0 281.399 3.211 50 0 CGAARO COc1ccc(C(=O)C(C)(C)[NH2+]Cc2ccccc2)cc1 ZINC000096027148 345901879 /nfs/dbraw/zinc/90/18/79/345901879.db2.gz YFDQHBDSUBDXAV-UHFFFAOYSA-N 1 0 283.371 3.446 50 0 CGAARO C[N@@H+]1CCC[C@](O)(c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027085 345901922 /nfs/dbraw/zinc/90/19/22/345901922.db2.gz YQFNVAOMKYBVNT-OALUTQOASA-N 1 0 281.399 3.211 50 0 CGAARO CCOC(=O)NCCCC[NH2+]C(CC)(CC)CC ZINC000096027385 345902022 /nfs/dbraw/zinc/90/20/22/345902022.db2.gz NBJSLCARBHPKSM-UHFFFAOYSA-N 1 0 258.406 3.071 50 0 CGAARO CN1CCC([NH2+]Cc2ccnc(SC(C)(C)C)c2)CC1 ZINC000097234035 345907523 /nfs/dbraw/zinc/90/75/23/345907523.db2.gz QOFYIGGIMOLLBV-UHFFFAOYSA-N 1 0 293.480 3.156 50 0 CGAARO Cc1cccc(C2CC([NH2+][C@@H](C)CO[C@H]3CCOC3)C2)c1 ZINC000097373023 345907755 /nfs/dbraw/zinc/90/77/55/345907755.db2.gz YGTRKBCDLSPICM-KUQKPQIMSA-N 1 0 289.419 3.025 50 0 CGAARO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC000170593900 346194130 /nfs/dbraw/zinc/19/41/30/346194130.db2.gz ARRYKCXAWJBUCF-HFTRVMKXSA-N 1 0 287.403 3.065 50 0 CGAARO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1O ZINC000194992273 346272557 /nfs/dbraw/zinc/27/25/57/346272557.db2.gz JGRMUGFLDRYDSS-CJNGLKHVSA-N 1 0 298.386 3.379 50 0 CGAARO Cn1ccnc1CC[NH2+][C@@H](c1ccco1)c1ccc(F)cc1 ZINC000195560627 346274031 /nfs/dbraw/zinc/27/40/31/346274031.db2.gz LSDLENRGRFHGLI-QGZVFWFLSA-N 1 0 299.349 3.074 50 0 CGAARO Fc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c2ncccc12 ZINC000247562742 346371282 /nfs/dbraw/zinc/37/12/82/346371282.db2.gz ZJJMWIRUPUQSAH-HNNXBMFYSA-N 1 0 299.393 3.044 50 0 CGAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1cccs1 ZINC000247862152 346373272 /nfs/dbraw/zinc/37/32/72/346373272.db2.gz WLERMCPYJVORCQ-YUELXQCFSA-N 1 0 293.432 3.097 50 0 CGAARO C[N@@H+]1CCC[C@@](O)(c2ccccc2)[C@H]1Cc1ccccc1 ZINC000261361569 346402863 /nfs/dbraw/zinc/40/28/63/346402863.db2.gz YQFNVAOMKYBVNT-RTBURBONSA-N 1 0 281.399 3.211 50 0 CGAARO C[N@H+](CCCC(=O)Nc1ccccc1)C[C@@H]1CCC=CO1 ZINC000252484551 346391514 /nfs/dbraw/zinc/39/15/14/346391514.db2.gz FZAAKOPGCDVOLP-INIZCTEOSA-N 1 0 288.391 3.030 50 0 CGAARO COc1ccc(CC[NH2+][C@@H](C)c2nccs2)cc1OC ZINC000086507612 179303768 /nfs/dbraw/zinc/30/37/68/179303768.db2.gz BIUSPDYTUJJSKD-NSHDSACASA-N 1 0 292.404 3.054 50 0 CGAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000090728979 180032887 /nfs/dbraw/zinc/03/28/87/180032887.db2.gz ZTNJKUHBSDEFJP-GXFFZTMASA-N 1 0 280.412 3.331 50 0 CGAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2[NH3+] ZINC000091645909 180214826 /nfs/dbraw/zinc/21/48/26/180214826.db2.gz SNRSDTUMXCZSRR-HNNXBMFYSA-N 1 0 296.418 3.085 50 0 CGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000092061947 180315380 /nfs/dbraw/zinc/31/53/80/180315380.db2.gz FCKUOFPDRVOQPV-QGZVFWFLSA-N 1 0 292.423 3.222 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)C1CCCCC1 ZINC000168139985 188646179 /nfs/dbraw/zinc/64/61/79/188646179.db2.gz CVGHJFOVFWSTAB-UKRRQHHQSA-N 1 0 291.414 3.358 50 0 CGAARO NC(=[NH2+])Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000095919692 283261982 /nfs/dbraw/zinc/26/19/82/283261982.db2.gz GJSOWBUEZKTWCQ-UHFFFAOYSA-N 1 0 270.176 3.203 50 0 CGAARO C[NH2+]C[C@H]1CCCN1C(=O)c1sc2ccccc2c1C ZINC000237275624 283600006 /nfs/dbraw/zinc/60/00/06/283600006.db2.gz LONFUPBDXGWBQN-GFCCVEGCSA-N 1 0 288.416 3.034 50 0 CGAARO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000182784417 189334586 /nfs/dbraw/zinc/33/45/86/189334586.db2.gz JEQRKGAZQHWRDD-DOTOQJQBSA-N 1 0 269.392 3.151 50 0 CGAARO CC1(C)C[C@@H]([C@@H](CC[NH3+])c2ccc(F)cc2)CCO1 ZINC000000171699 368308208 /nfs/dbraw/zinc/30/82/08/368308208.db2.gz FBSHSKALOHEBCG-ZFWWWQNUSA-N 1 0 265.372 3.463 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC ZINC000000172208 368308631 /nfs/dbraw/zinc/30/86/31/368308631.db2.gz BXYUQSLIZBQBAY-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc(F)c1 ZINC000000254475 368325177 /nfs/dbraw/zinc/32/51/77/368325177.db2.gz KIHDQLGNQVTPMH-UHFFFAOYSA-N 1 0 298.361 3.213 50 0 CGAARO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000000256730 368325628 /nfs/dbraw/zinc/32/56/28/368325628.db2.gz SEGRGRWELXPSLI-ZDUSSCGKSA-N 1 0 260.381 3.056 50 0 CGAARO CC(C)[C@H]1C[C@](CC[NH3+])(Cc2ccccc2)CCO1 ZINC000000343902 368344282 /nfs/dbraw/zinc/34/42/82/368344282.db2.gz WSXVXVYATOMEAJ-SJORKVTESA-N 1 0 261.409 3.399 50 0 CGAARO c1ccc(-c2nnc(Nc3cc[nH+]cc3)s2)cc1 ZINC000000389404 368355153 /nfs/dbraw/zinc/35/51/53/368355153.db2.gz HEUFXGHJKWHQIZ-UHFFFAOYSA-N 1 0 254.318 3.344 50 0 CGAARO O=C(c1cccc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000002734787 368473758 /nfs/dbraw/zinc/47/37/58/368473758.db2.gz FLXPPUGKFOUSPC-UHFFFAOYSA-N 1 0 292.810 3.040 50 0 CGAARO CCCC[N@H+](C[C@H](O)COCc1ccccc1)[C@@H](C)CC ZINC000003325161 368502115 /nfs/dbraw/zinc/50/21/15/368502115.db2.gz ZQJUMELBXTUJIN-WMZOPIPTSA-N 1 0 293.451 3.465 50 0 CGAARO CCOc1ccccc1OCCCC[NH+]1CCCC1 ZINC000002931471 368486063 /nfs/dbraw/zinc/48/60/63/368486063.db2.gz GAFQWYQDGOPLCF-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO CC(C)[NH2+]CCOCCOc1cccc(Cl)c1Cl ZINC000002981189 368486977 /nfs/dbraw/zinc/48/69/77/368486977.db2.gz KLPXCIDIGFSGAT-UHFFFAOYSA-N 1 0 292.206 3.387 50 0 CGAARO CC[C@H](C)c1ccc(OCCC[NH2+]CCOC)cc1 ZINC000003002012 368488441 /nfs/dbraw/zinc/48/84/41/368488441.db2.gz NJCVFOIIOSPWAJ-AWEZNQCLSA-N 1 0 265.397 3.205 50 0 CGAARO COCC[NH2+]CCCSc1ccc(Cl)cc1 ZINC000003001264 368488448 /nfs/dbraw/zinc/48/84/48/368488448.db2.gz FOAHOELHGDXEBM-UHFFFAOYSA-N 1 0 259.802 3.058 50 0 CGAARO COc1ccccc1[C@]1(CC[NH3+])CCO[C@@H](C(C)C)C1 ZINC000004043968 368528524 /nfs/dbraw/zinc/52/85/24/368528524.db2.gz UBPJRGWVQZCLHX-IAGOWNOFSA-N 1 0 277.408 3.117 50 0 biogenic CGAARO CC(C)Oc1ccccc1OCC[NH2+]Cc1ccco1 ZINC000003461516 368507575 /nfs/dbraw/zinc/50/75/75/368507575.db2.gz KQTAGBSEXOIZRM-UHFFFAOYSA-N 1 0 275.348 3.235 50 0 CGAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000003454099 368508264 /nfs/dbraw/zinc/50/82/64/368508264.db2.gz LWLUTXFFXVFYMD-MRXNPFEDSA-N 1 0 296.414 3.132 50 0 CGAARO CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2C)cc1 ZINC000004670132 368556286 /nfs/dbraw/zinc/55/62/86/368556286.db2.gz GXDCDNXOIHULML-UHFFFAOYSA-N 1 0 283.371 3.462 50 0 CGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1Cl ZINC000004317314 368543515 /nfs/dbraw/zinc/54/35/15/368543515.db2.gz FAZMNLYUYMNNHO-MCIONIFRSA-N 1 0 297.826 3.343 50 0 CGAARO CCCC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000004573435 368551085 /nfs/dbraw/zinc/55/10/85/368551085.db2.gz BGZNVMKQDDIGOY-JTQLQIEISA-N 1 0 293.798 3.038 50 0 CGAARO CC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000004578774 368551236 /nfs/dbraw/zinc/55/12/36/368551236.db2.gz DIMKAZZDTZBEBY-GOSISDBHSA-N 1 0 296.414 3.038 50 0 CGAARO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)o1 ZINC000011503155 368591608 /nfs/dbraw/zinc/59/16/08/368591608.db2.gz WYMJBKOBCJDZAX-MLGOLLRUSA-N 1 0 298.386 3.134 50 0 CGAARO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000012223543 368605998 /nfs/dbraw/zinc/60/59/98/368605998.db2.gz NTUZGTSAVUAGHU-GFCCVEGCSA-N 1 0 295.814 3.254 50 0 CGAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1F)[NH+](C)C ZINC000012774735 368626365 /nfs/dbraw/zinc/62/63/65/368626365.db2.gz YTOKKLPALJTHMP-HNNXBMFYSA-N 1 0 295.402 3.314 50 0 CGAARO CCCC[C@H](CC)[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013142069 368645047 /nfs/dbraw/zinc/64/50/47/368645047.db2.gz ZPDBNCKBKRZZEB-ARFHVFGLSA-N 1 0 269.429 3.430 50 0 CGAARO O[C@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000015962084 368706062 /nfs/dbraw/zinc/70/60/62/368706062.db2.gz RSUCCTSHSZOQQS-KRWDZBQOSA-N 1 0 299.419 3.008 50 0 CGAARO CCCC[n+]1cc(-c2ccc(OC)cc2)n2c1CCC2 ZINC000016955878 368723906 /nfs/dbraw/zinc/72/39/06/368723906.db2.gz PZXLXLKNOVDSON-UHFFFAOYSA-N 1 0 271.384 3.198 50 0 CGAARO c1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019634932 368758582 /nfs/dbraw/zinc/75/85/82/368758582.db2.gz VMOVHEKNZJZXFB-SFHVURJKSA-N 1 0 270.420 3.161 50 0 CGAARO CC[NH+](CC)CCN(C)[C@@H](C)Cc1ccccc1F ZINC000019609085 368758684 /nfs/dbraw/zinc/75/86/84/368758684.db2.gz ROXRGXOCHVWASA-AWEZNQCLSA-N 1 0 266.404 3.030 50 0 CGAARO Cc1cc(CN2CC[C@H]([NH+](C)C)C2)c2ccc(C)c(C)c2n1 ZINC000019884741 368775470 /nfs/dbraw/zinc/77/54/70/368775470.db2.gz OZSZTPFWRGHDTK-KRWDZBQOSA-N 1 0 297.446 3.296 50 0 CGAARO CCN(CC)CC[NH2+]C[C@@H](C)Oc1cc(C)ccc1C ZINC000019737643 368763254 /nfs/dbraw/zinc/76/32/54/368763254.db2.gz XFFDBPXJHRLHFP-MRXNPFEDSA-N 1 0 278.440 3.002 50 0 CGAARO CC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000019737914 368763324 /nfs/dbraw/zinc/76/33/24/368763324.db2.gz BFQINCRRDWDXIZ-XJKSGUPXSA-N 1 0 263.381 3.133 50 0 CGAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019788726 368766225 /nfs/dbraw/zinc/76/62/25/368766225.db2.gz RACYVLBFNZFEKP-ZDUSSCGKSA-N 1 0 266.816 3.256 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)C2)cc1OC ZINC000023280190 368819055 /nfs/dbraw/zinc/81/90/55/368819055.db2.gz JJZJQWLRGRNPLB-TZMCWYRMSA-N 1 0 263.381 3.025 50 0 CGAARO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000034927133 368980650 /nfs/dbraw/zinc/98/06/50/368980650.db2.gz XIVYMLCUZKNTGQ-WMZOPIPTSA-N 1 0 285.362 3.034 50 0 CGAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccs1 ZINC000035133064 369001492 /nfs/dbraw/zinc/00/14/92/369001492.db2.gz BFTPFOQGXVUMDD-SNVBAGLBSA-N 1 0 278.352 3.177 50 0 CGAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1c[nH]nc1C ZINC000037118591 369063006 /nfs/dbraw/zinc/06/30/06/369063006.db2.gz ZDUOQXDIUBOMTD-CQSZACIVSA-N 1 0 273.380 3.423 50 0 CGAARO Cc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000037764944 369106536 /nfs/dbraw/zinc/10/65/36/369106536.db2.gz VBLJUSMRKMLGQS-YOEHRIQHSA-N 1 0 282.387 3.262 50 0 CGAARO CC[NH+](CC)CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000049076349 369385955 /nfs/dbraw/zinc/38/59/55/369385955.db2.gz GJMXQKKQAVBPLC-UHFFFAOYSA-N 1 0 292.398 3.020 50 0 CGAARO OCC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000048284034 369340276 /nfs/dbraw/zinc/34/02/76/369340276.db2.gz KATUFEATUUQVJL-UHFFFAOYSA-N 1 0 287.325 3.442 50 0 CGAARO C[C@H](C[NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000048435684 369349919 /nfs/dbraw/zinc/34/99/19/369349919.db2.gz UHKCGJBEUBLICD-CYBMUJFWSA-N 1 0 265.360 3.456 50 0 CGAARO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000048909739 369373447 /nfs/dbraw/zinc/37/34/47/369373447.db2.gz CPGHEIWCBGLQCX-LBPRGKRZSA-N 1 0 295.814 3.193 50 0 CGAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccn1C ZINC000049537685 369407916 /nfs/dbraw/zinc/40/79/16/369407916.db2.gz FZQLHDPONUDIQE-CYBMUJFWSA-N 1 0 258.365 3.193 50 0 CGAARO Cn1c(Cl)cnc1C[N@H+](C)C1CCCCCC1 ZINC000053906718 369489425 /nfs/dbraw/zinc/48/94/25/369489425.db2.gz DJQJKJIADYSBLW-UHFFFAOYSA-N 1 0 255.793 3.228 50 0 CGAARO CC(C)[NH+]1CCC(N(C)C(=O)Nc2ccccc2)CC1 ZINC000057561376 369540325 /nfs/dbraw/zinc/54/03/25/369540325.db2.gz XIVDHAROBQQFJG-UHFFFAOYSA-N 1 0 275.396 3.023 50 0 CGAARO CC(C)(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058291949 369562286 /nfs/dbraw/zinc/56/22/86/369562286.db2.gz NIVCNXIMDVIXCB-UHFFFAOYSA-N 1 0 292.448 3.220 50 0 CGAARO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC(C)C ZINC000058524089 369570454 /nfs/dbraw/zinc/57/04/54/369570454.db2.gz KELNXEVBSMCUPB-SJORKVTESA-N 1 0 288.435 3.169 50 0 CGAARO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060159573 369584819 /nfs/dbraw/zinc/58/48/19/369584819.db2.gz ONHDMLGMFMQPEK-INIZCTEOSA-N 1 0 288.435 3.061 50 0 CGAARO OCC[N@@H+](Cc1cccc2ccccc21)CC1CC1 ZINC000064516742 369653651 /nfs/dbraw/zinc/65/36/51/369653651.db2.gz XJRYBNMTXQRDGH-UHFFFAOYSA-N 1 0 255.361 3.044 50 0 CGAARO CC(C)Oc1ccccc1CC[NH2+][C@@H]1CCSC1 ZINC000065384397 369670883 /nfs/dbraw/zinc/67/08/83/369670883.db2.gz MUYQAKBBFLZUFT-CQSZACIVSA-N 1 0 265.422 3.111 50 0 CGAARO O=C(C1CCCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288730 369668160 /nfs/dbraw/zinc/66/81/60/369668160.db2.gz CRQUMBJWILESDN-INIZCTEOSA-N 1 0 278.440 3.044 50 0 CGAARO COc1cc(C[N@H+](C)[C@H](C)c2cccnc2)ccc1F ZINC000065420359 369673794 /nfs/dbraw/zinc/67/37/94/369673794.db2.gz NUVHKRMKGPLDAA-GFCCVEGCSA-N 1 0 274.339 3.422 50 0 CGAARO C[C@H](c1ccc(-c2ccccc2CO)cc1)[NH+](C)C ZINC000065435094 369675291 /nfs/dbraw/zinc/67/52/91/369675291.db2.gz LAMFINZHDOBTMA-CYBMUJFWSA-N 1 0 255.361 3.469 50 0 CGAARO c1ccc(OCC2(C[NH2+]C3CCSCC3)CC2)cc1 ZINC000065435531 369675537 /nfs/dbraw/zinc/67/55/37/369675537.db2.gz FWUXEZWWSKLRIZ-UHFFFAOYSA-N 1 0 277.433 3.331 50 0 CGAARO Cn1cc(C2=CC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000065455224 369677277 /nfs/dbraw/zinc/67/72/77/369677277.db2.gz KQIWPVMSKJLKFQ-UHFFFAOYSA-N 1 0 281.403 3.142 50 0 CGAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000069415007 369759119 /nfs/dbraw/zinc/75/91/19/369759119.db2.gz NHSIQUUXDPPHDU-CYBMUJFWSA-N 1 0 292.404 3.058 50 0 CGAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC000069586650 369764741 /nfs/dbraw/zinc/76/47/41/369764741.db2.gz FJMOVLNXNKADLS-CYBMUJFWSA-N 1 0 294.826 3.221 50 0 CGAARO Cc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)on1 ZINC000069659744 369765804 /nfs/dbraw/zinc/76/58/04/369765804.db2.gz ZTKLEWJVYARILI-CYBMUJFWSA-N 1 0 260.312 3.112 50 0 CGAARO c1ccc(NC2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000069631592 369766694 /nfs/dbraw/zinc/76/66/94/369766694.db2.gz GXBCLPZMOJKFPF-UHFFFAOYSA-N 1 0 281.403 3.201 50 0 CGAARO CCc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069699863 369768410 /nfs/dbraw/zinc/76/84/10/369768410.db2.gz SZXLHNSDDVDHFH-UONOGXRCSA-N 1 0 292.448 3.009 50 0 CGAARO Cc1noc(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000067712331 369725505 /nfs/dbraw/zinc/72/55/05/369725505.db2.gz GISYRIXJXVUJIS-OAHLLOKOSA-N 1 0 269.348 3.030 50 0 CGAARO CCc1oc2ccccc2c1-c1nccn1CC[NH+](C)C ZINC000067713809 369725754 /nfs/dbraw/zinc/72/57/54/369725754.db2.gz AJLUYXLRFCGKOD-UHFFFAOYSA-N 1 0 283.375 3.420 50 0 CGAARO C[NH+](C)CCCn1ccnc1-c1ccnc2ccccc21 ZINC000067771692 369727355 /nfs/dbraw/zinc/72/73/55/369727355.db2.gz ICSGCVNFTDNRNZ-UHFFFAOYSA-N 1 0 280.375 3.050 50 0 CGAARO Cc1cc(N2CCN(Cc3ccsc3)CC2)cc(C)[nH+]1 ZINC000072426035 369819187 /nfs/dbraw/zinc/81/91/87/369819187.db2.gz KKWUEDNCDCHCQC-UHFFFAOYSA-N 1 0 287.432 3.082 50 0 CGAARO C[N@H+](Cc1ccc(Cl)nc1)[C@@H](CCO)c1ccccc1 ZINC000075899154 369920571 /nfs/dbraw/zinc/92/05/71/369920571.db2.gz OUEWILQFUKSWDR-HNNXBMFYSA-N 1 0 290.794 3.291 50 0 CGAARO C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077440415 369946542 /nfs/dbraw/zinc/94/65/42/369946542.db2.gz AQQHVYHSJRIZMM-KRWDZBQOSA-N 1 0 296.414 3.351 50 0 CGAARO Brc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000083425504 370003801 /nfs/dbraw/zinc/00/38/01/370003801.db2.gz SXBBYJXKOXHGAW-LBPRGKRZSA-N 1 0 284.197 3.108 50 0 CGAARO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000084697955 370014595 /nfs/dbraw/zinc/01/45/95/370014595.db2.gz WQUSSPRNZUSILQ-CQSZACIVSA-N 1 0 292.448 3.144 50 0 CGAARO CN(C)[C@H](C[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000080237087 369985368 /nfs/dbraw/zinc/98/53/68/369985368.db2.gz SKBGWGOBMCVELY-MRXNPFEDSA-N 1 0 289.810 3.128 50 0 CGAARO C1=CC[C@H](C[NH+]2CCC(OC3CCOCC3)CC2)CC1 ZINC000093140130 370112701 /nfs/dbraw/zinc/11/27/01/370112701.db2.gz OOVOHGXROCMPFW-HNNXBMFYSA-N 1 0 279.424 3.003 50 0 CGAARO CC[C@H]([NH2+]CCCn1ccnc1)c1ccc(F)cc1F ZINC000089947842 370052062 /nfs/dbraw/zinc/05/20/62/370052062.db2.gz QJWMAGYXPRWMPE-HNNXBMFYSA-N 1 0 279.334 3.292 50 0 CGAARO Cc1cc(Br)ccc1C[NH2+][C@H](C)CCCO ZINC000095413089 370185591 /nfs/dbraw/zinc/18/55/91/370185591.db2.gz QUYBOWWXIPSPGP-LLVKDONJSA-N 1 0 286.213 3.008 50 0 CGAARO CC(C)(C)Oc1ccc(C[NH2+]Cc2cncs2)cn1 ZINC000097048122 370218994 /nfs/dbraw/zinc/21/89/94/370218994.db2.gz NPIHXBUJWWWRIV-UHFFFAOYSA-N 1 0 277.393 3.005 50 0 CGAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000097099531 370224690 /nfs/dbraw/zinc/22/46/90/370224690.db2.gz ZZNUUCIKATWNML-JKSUJKDBSA-N 1 0 285.391 3.269 50 0 CGAARO CC(C)(C)c1n[nH]cc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097102378 370224764 /nfs/dbraw/zinc/22/47/64/370224764.db2.gz BLFFERVBNQMSHI-UHFFFAOYSA-N 1 0 292.471 3.106 50 0 CGAARO Cc1nnc(SCC[N@@H+](C)Cc2ccc(F)cc2)s1 ZINC000097139622 370230379 /nfs/dbraw/zinc/23/03/79/370230379.db2.gz DBQWONAPXHZNKE-UHFFFAOYSA-N 1 0 297.424 3.210 50 0 CGAARO C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H](O)c1ccco1 ZINC000097228264 370235043 /nfs/dbraw/zinc/23/50/43/370235043.db2.gz IQNDQIVOULCSMT-SWLSCSKDSA-N 1 0 277.339 3.063 50 0 CGAARO c1c[nH]c(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1 ZINC000097505496 370245850 /nfs/dbraw/zinc/24/58/50/370245850.db2.gz HHQBXPNCILIPHR-HNNXBMFYSA-N 1 0 255.365 3.179 50 0 CGAARO COc1ccc(F)c(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000097594965 370247122 /nfs/dbraw/zinc/24/71/22/370247122.db2.gz VJDOFUDLVVRJSP-UHFFFAOYSA-N 1 0 286.350 3.492 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1C ZINC000097602161 370248324 /nfs/dbraw/zinc/24/83/24/370248324.db2.gz MHXQYAXOQHVZRB-MRXNPFEDSA-N 1 0 269.392 3.108 50 0 CGAARO C[N@@H+]1CCCC[C@H]1C(=O)N(C/C=C/c1ccccc1)C1CC1 ZINC000097773106 370254694 /nfs/dbraw/zinc/25/46/94/370254694.db2.gz OMQHEEQZFGCJFO-HKMNZKMDSA-N 1 0 298.430 3.175 50 0 CGAARO COC[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000095419310 370186564 /nfs/dbraw/zinc/18/65/64/370186564.db2.gz HGJFAVVCRMVBFC-QZTJIDSGSA-N 1 0 282.387 3.186 50 0 CGAARO COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000095419234 370187066 /nfs/dbraw/zinc/18/70/66/370187066.db2.gz VYXAZWVASSJMNA-MNOVXSKESA-N 1 0 299.798 3.187 50 0 CGAARO COC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000095419308 370187110 /nfs/dbraw/zinc/18/71/10/370187110.db2.gz HGJFAVVCRMVBFC-MSOLQXFVSA-N 1 0 282.387 3.186 50 0 CGAARO C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)C1CCOCC1 ZINC000095421084 370188340 /nfs/dbraw/zinc/18/83/40/370188340.db2.gz DTHNSPHIBLCYNJ-GFCCVEGCSA-N 1 0 283.799 3.124 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1ccco1 ZINC000095423605 370190145 /nfs/dbraw/zinc/19/01/45/370190145.db2.gz LRAGPLOFCFKBFW-VXGBXAGGSA-N 1 0 270.332 3.056 50 0 CGAARO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)c1 ZINC000095448856 370194971 /nfs/dbraw/zinc/19/49/71/370194971.db2.gz SYKYAWUUHKUQBM-IUODEOHRSA-N 1 0 277.339 3.329 50 0 CGAARO Cn1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000095448646 370195042 /nfs/dbraw/zinc/19/50/42/370195042.db2.gz FCDGLPPDCPEQGW-SFHVURJKSA-N 1 0 298.386 3.037 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095448883 370195749 /nfs/dbraw/zinc/19/57/49/370195749.db2.gz ICISBKRPOUQCMR-IINYFYTJSA-N 1 0 294.395 3.192 50 0 CGAARO CSCCC[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095529754 370201715 /nfs/dbraw/zinc/20/17/15/370201715.db2.gz OKOKSFUIIPQTLB-DLBZAZTESA-N 1 0 292.492 3.078 50 0 CGAARO COc1ccc(N[N+](=O)c2ccc(OC)cc2)cc1 ZINC000098044904 370260236 /nfs/dbraw/zinc/26/02/36/370260236.db2.gz DNTJQQOIWMGMSY-UHFFFAOYSA-N 1 0 259.285 3.141 50 0 CGAARO C[N@@H+]1CCC[C@@H](CO)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101418319 370288727 /nfs/dbraw/zinc/28/87/27/370288727.db2.gz XQZHTFMWFSPRFQ-WCQYABFASA-N 1 0 273.298 3.081 50 0 CGAARO Cc1noc(C)c1CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000138386566 371505255 /nfs/dbraw/zinc/50/52/55/371505255.db2.gz LLINOOSDTOEBGA-SJCJKPOMSA-N 1 0 286.375 3.253 50 0 CGAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCC[C@@H]([NH3+])C1 ZINC000426389283 372155150 /nfs/dbraw/zinc/15/51/50/372155150.db2.gz RDOCXQAMVHDDBX-LLVKDONJSA-N 1 0 277.799 3.053 50 0 CGAARO OCc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426511710 372161725 /nfs/dbraw/zinc/16/17/25/372161725.db2.gz PZFFAZCMSVNTNZ-UHFFFAOYSA-N 1 0 267.372 3.442 50 0 CGAARO Nc1cc[nH+]c2ccc(-c3ccc4c(c3)OCCO4)cc12 ZINC000426635373 372168113 /nfs/dbraw/zinc/16/81/13/372168113.db2.gz MGGVAWLFNGQUSG-UHFFFAOYSA-N 1 0 278.311 3.255 50 0 CGAARO c1cc(C2CCCC2)sc1CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000426691102 372169002 /nfs/dbraw/zinc/16/90/02/372169002.db2.gz AKAVLFKKHBDVIP-DZGCQCFKSA-N 1 0 276.449 3.199 50 0 CGAARO Cc1cc(SC2CCCCC2)ccc1NC(=O)C[NH3+] ZINC000170046594 372634155 /nfs/dbraw/zinc/63/41/55/372634155.db2.gz RWVAGWWHPLOTTC-UHFFFAOYSA-N 1 0 278.421 3.317 50 0 CGAARO CC(C)[C@@H]([NH2+]C[C@@H](C)O)c1ccc(Cl)cc1F ZINC000170073198 372634601 /nfs/dbraw/zinc/63/46/01/372634601.db2.gz GJKJGKPHHRXXPV-NOZJJQNGSA-N 1 0 259.752 3.147 50 0 CGAARO c1ccc(CC[NH2+][C@H]2CCCNc3ccccc32)nc1 ZINC000170085028 372634891 /nfs/dbraw/zinc/63/48/91/372634891.db2.gz MBIPKZKMZQIGBB-KRWDZBQOSA-N 1 0 267.376 3.161 50 0 CGAARO Clc1ccc(C2([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000309532112 374186371 /nfs/dbraw/zinc/18/63/71/374186371.db2.gz WENFBCAUABYSQN-GFCCVEGCSA-N 1 0 253.798 3.424 50 0 CGAARO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000077453855 541912348 /nfs/dbraw/zinc/91/23/48/541912348.db2.gz YMIRHQISEPXSAM-HOCLYGCPSA-N 1 0 284.407 3.326 50 0 CGAARO COc1ccc(C2=CN(O)C(C)(C)C(C)(C)[N+]2=O)cc1 ZINC000334157207 374652591 /nfs/dbraw/zinc/65/25/91/374652591.db2.gz GVYQVJXVGWTIBO-UHFFFAOYSA-N 1 0 277.344 3.035 50 0 CGAARO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C3CCCC3)s2)C1 ZINC000215099831 376147015 /nfs/dbraw/zinc/14/70/15/376147015.db2.gz BFAPAMUQWJCYOE-CQSZACIVSA-N 1 0 292.448 3.116 50 0 CGAARO CC1=CC[N@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000215717256 376150798 /nfs/dbraw/zinc/15/07/98/376150798.db2.gz RYPZCFRGMHXULQ-UHFFFAOYSA-N 1 0 254.333 3.494 50 0 CGAARO 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CGAARO C[C@@H]1CCC[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000230118663 376486396 /nfs/dbraw/zinc/48/63/96/376486396.db2.gz HLBKQWNHXCVNLD-HFTRVMKXSA-N 1 0 288.435 3.158 50 0 CGAARO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@]1(C)CCCO1 ZINC000239762112 376774075 /nfs/dbraw/zinc/77/40/75/376774075.db2.gz CKVPOQIRZSLGGB-DYVFJYSZSA-N 1 0 272.392 3.258 50 0 CGAARO CC(C)c1ccc(OCC[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000243956692 376789035 /nfs/dbraw/zinc/78/90/35/376789035.db2.gz CCAVVMVPITXJIL-HNNXBMFYSA-N 1 0 277.408 3.157 50 0 CGAARO C[C@H](CN(C)Cc1cc(-c2ccccc2)on1)[NH+]1CCCC1 ZINC000244758119 376795312 /nfs/dbraw/zinc/79/53/12/376795312.db2.gz OSSNDFLDZCSHKE-OAHLLOKOSA-N 1 0 299.418 3.258 50 0 CGAARO Cn1nccc1C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000093285482 249037986 /nfs/dbraw/zinc/03/79/86/249037986.db2.gz MADNBGIXFDHCCG-UHFFFAOYSA-N 1 0 283.419 3.407 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC000252452285 377623576 /nfs/dbraw/zinc/62/35/76/377623576.db2.gz 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Fc1ccc(/C=C/C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091856363 165273414 /nfs/dbraw/zinc/27/34/14/165273414.db2.gz FFCZFXVVVCFKIB-POHSLCEDSA-N 1 0 293.407 3.045 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC000119987707 287176109 /nfs/dbraw/zinc/17/61/09/287176109.db2.gz FZQRUMPNSSGRQJ-OAHLLOKOSA-N 1 0 260.381 3.198 50 0 CGAARO CC[C@H](C)c1ccccc1OCC[NH2+]CCCOC ZINC000003000415 169848555 /nfs/dbraw/zinc/84/85/55/169848555.db2.gz GLCZIEZHMVRAQF-AWEZNQCLSA-N 1 0 265.397 3.205 50 0 CGAARO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003323349 169879178 /nfs/dbraw/zinc/87/91/78/169879178.db2.gz LDZFIEJVHXFMQN-UKRRQHHQSA-N 1 0 279.424 3.112 50 0 CGAARO Cc1ccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004152807 169938720 /nfs/dbraw/zinc/93/87/20/169938720.db2.gz CBARPLBGFMDFLQ-GJZGRUSLSA-N 1 0 274.408 3.302 50 0 CGAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004704973 170002692 /nfs/dbraw/zinc/00/26/92/170002692.db2.gz IQJUNYPDQRHBRC-UHFFFAOYSA-N 1 0 274.408 3.034 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004834122 170026414 /nfs/dbraw/zinc/02/64/14/170026414.db2.gz LGXQNCLTQPJWBA-JTQLQIEISA-N 1 0 292.206 3.121 50 0 CGAARO CCN(CC)C(=O)CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000005018084 170056018 /nfs/dbraw/zinc/05/60/18/170056018.db2.gz AFEBAQPHUWZYEL-KRWDZBQOSA-N 1 0 288.435 3.125 50 0 CGAARO Cc1ccc(-c2nnc(C[NH+]3CCC(C)CC3)o2)cc1 ZINC000005031996 170058623 /nfs/dbraw/zinc/05/86/23/170058623.db2.gz QKBVQDVTPLWQHD-UHFFFAOYSA-N 1 0 271.364 3.277 50 0 CGAARO O[C@H](COc1cccc2ccccc21)C[NH+]1CCCCCC1 ZINC000005777810 170139560 /nfs/dbraw/zinc/13/95/60/170139560.db2.gz WQCXXEXLBNPQMH-KRWDZBQOSA-N 1 0 299.414 3.456 50 0 CGAARO Cc1c(O)ccc2c(C[N@H+]3CCCC[C@@H]3C)cc(=O)oc12 ZINC000006650595 170222275 /nfs/dbraw/zinc/22/22/75/170222275.db2.gz GDXXWSQYPNZOSR-NSHDSACASA-N 1 0 287.359 3.181 50 0 CGAARO C[NH+]1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000006731319 170235512 /nfs/dbraw/zinc/23/55/12/170235512.db2.gz JZTRWZFHJSMZRT-UHFFFAOYSA-N 1 0 283.375 3.056 50 0 CGAARO Cc1c(O)ccc2c(C[NH2+]C3CCCCC3)cc(=O)oc12 ZINC000007381162 170281007 /nfs/dbraw/zinc/28/10/07/170281007.db2.gz LYCFAZVSNNDGMF-UHFFFAOYSA-N 1 0 287.359 3.229 50 0 CGAARO COCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007539883 170290269 /nfs/dbraw/zinc/29/02/69/170290269.db2.gz VNKHSRPVOVIROR-UHFFFAOYSA-N 1 0 283.730 3.475 50 0 CGAARO O=C(C[NH2+]C1CCCC1)Nc1ccc(Cl)cc1Cl ZINC000008344387 170332627 /nfs/dbraw/zinc/33/26/27/170332627.db2.gz VYWRROGURCPZCS-UHFFFAOYSA-N 1 0 287.190 3.464 50 0 CGAARO Cc1cccc(C)c1OCCCC[NH2+]C[C@@H]1CCCO1 ZINC000008750518 170354372 /nfs/dbraw/zinc/35/43/72/170354372.db2.gz QGKNWZCGMHZNBM-INIZCTEOSA-N 1 0 277.408 3.231 50 0 CGAARO Cc1ccc(CNC(=O)C[N@@H+](C)C2CCCCC2)cc1F ZINC000010051323 170396693 /nfs/dbraw/zinc/39/66/93/170396693.db2.gz VLPSBQPKBKOJBS-UHFFFAOYSA-N 1 0 292.398 3.015 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c(C)c1 ZINC000011847293 170445993 /nfs/dbraw/zinc/44/59/93/170445993.db2.gz YTVBIIWCZUTCRJ-BRWVUGGUSA-N 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50 0 CGAARO CC[NH+](CC)CCNC(=O)Nc1ccc2ccccc2c1 ZINC000022204712 171372464 /nfs/dbraw/zinc/37/24/64/171372464.db2.gz CLZYRVYIOPKPGV-UHFFFAOYSA-N 1 0 285.391 3.303 50 0 CGAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccco1 ZINC000022414055 171386909 /nfs/dbraw/zinc/38/69/09/171386909.db2.gz DUIDZVQPZTYXPE-UHFFFAOYSA-N 1 0 290.407 3.198 50 0 CGAARO Cc1cc(C)c(C[NH2+]Cc2cccc(C(N)=O)c2)cc1C ZINC000035231663 172071575 /nfs/dbraw/zinc/07/15/75/172071575.db2.gz STOFZOHWDJVPAG-UHFFFAOYSA-N 1 0 282.387 3.001 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000035273967 172094409 /nfs/dbraw/zinc/09/44/09/172094409.db2.gz RSJDAYAWBVQNJS-UHFFFAOYSA-N 1 0 269.270 3.027 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1OC ZINC000040444139 174264358 /nfs/dbraw/zinc/26/43/58/174264358.db2.gz AXMYAGNXWNONQF-LLVKDONJSA-N 1 0 281.421 3.250 50 0 CGAARO Fc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000040495409 174294450 /nfs/dbraw/zinc/29/44/50/174294450.db2.gz QWGIIOPFRUYLCX-UHFFFAOYSA-N 1 0 281.334 3.301 50 0 CGAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000042774840 174873015 /nfs/dbraw/zinc/87/30/15/174873015.db2.gz BJJYDBLMNZNVFW-LLVKDONJSA-N 1 0 284.197 3.136 50 0 CGAARO c1ccc2sc(SCC3CC[NH2+]CC3)nc2c1 ZINC000043498122 175058057 /nfs/dbraw/zinc/05/80/57/175058057.db2.gz GHMYEDJMJGWFHM-UHFFFAOYSA-N 1 0 264.419 3.388 50 0 CGAARO COc1ccccc1SCC[C@@H]1CCCC[NH2+]1 ZINC000043499673 175058597 /nfs/dbraw/zinc/05/85/97/175058597.db2.gz AKQRPSRTTSTSGQ-LBPRGKRZSA-N 1 0 251.395 3.320 50 0 CGAARO c1ccn2c(c1)nc(C1CC[NH2+]CC1)c2NC1CCCC1 ZINC000045795887 175383953 /nfs/dbraw/zinc/38/39/53/175383953.db2.gz JVUPMOMISZPPSD-UHFFFAOYSA-N 1 0 284.407 3.156 50 0 CGAARO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000069595565 175842167 /nfs/dbraw/zinc/84/21/67/175842167.db2.gz UZZKIPKCPKROOC-UHFFFAOYSA-N 1 0 288.435 3.379 50 0 CGAARO CC[C@@H]1CCCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400317 176152551 /nfs/dbraw/zinc/15/25/51/176152551.db2.gz BAJXPQMNZZLFGI-CVEARBPZSA-N 1 0 274.408 3.258 50 0 CGAARO c1ccc(SCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000071910663 176297578 /nfs/dbraw/zinc/29/75/78/176297578.db2.gz MOPCILGLRXDBBH-UHFFFAOYSA-N 1 0 290.476 3.339 50 0 CGAARO CCSCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000071913971 176298414 /nfs/dbraw/zinc/29/84/14/176298414.db2.gz FYSCLQKNYGBHAT-UHFFFAOYSA-N 1 0 292.448 3.090 50 0 CGAARO CC(C)=CCCC(C)=C=CC(C)(C)C[NH2+]CCO ZINC000072334069 176371092 /nfs/dbraw/zinc/37/10/92/176371092.db2.gz RHXIQLUANMLSEJ-UHFFFAOYSA-N 1 0 251.414 3.442 50 0 CGAARO COc1ccccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC000077287563 177249058 /nfs/dbraw/zinc/24/90/58/177249058.db2.gz LAMBODZECAOIAP-UHFFFAOYSA-N 1 0 284.359 3.138 50 0 CGAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000049886825 416476694 /nfs/dbraw/zinc/47/66/94/416476694.db2.gz KXLNNJYVXFQXHR-KRWDZBQOSA-N 1 0 289.325 3.057 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1C[C@H]2CCN(c3ccccc3)[C@H]2C1 ZINC000685945170 544110805 /nfs/dbraw/zinc/11/08/05/544110805.db2.gz LMTGWBHEPMICMK-QAPCUYQASA-N 1 0 297.402 3.002 50 0 CGAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102178 260035554 /nfs/dbraw/zinc/03/55/54/260035554.db2.gz BBVVAVOBSZAPSG-SFHVURJKSA-N 1 0 299.414 3.468 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000527771425 270135193 /nfs/dbraw/zinc/13/51/93/270135193.db2.gz ILOWVVQDOVPWET-OAHLLOKOSA-N 1 0 273.405 3.478 50 0 CGAARO CC/C=C/CC(=O)N1CCC[C@]2(CCC[N@H+](CC)C2)C1 ZINC000071708010 276095015 /nfs/dbraw/zinc/09/50/15/276095015.db2.gz BGEZZASLRQQOJO-RTRPANQVSA-N 1 0 278.440 3.067 50 0 CGAARO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC2(C1)CCCCC2 ZINC000170639909 279187797 /nfs/dbraw/zinc/18/77/97/279187797.db2.gz VHIYQCZCDHCSNA-MRXNPFEDSA-N 1 0 292.467 3.290 50 0 CGAARO Cn1cncc1C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000112343662 279391763 /nfs/dbraw/zinc/39/17/63/279391763.db2.gz GNLDBTHXPVCZLE-CYBMUJFWSA-N 1 0 293.823 3.400 50 0 CGAARO CCOC(=O)C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000075093912 279533538 /nfs/dbraw/zinc/53/35/38/279533538.db2.gz MCZWFLIUPBPAOZ-INIZCTEOSA-N 1 0 291.366 3.088 50 0 CGAARO O=C(c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021170647 280212539 /nfs/dbraw/zinc/21/25/39/280212539.db2.gz SYWUAQQOCOVUEM-QGZVFWFLSA-N 1 0 286.419 3.167 50 0 CGAARO Cc1cc(N2C[C@H](O)C[C@@H]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000170088648 280588686 /nfs/dbraw/zinc/58/86/86/280588686.db2.gz LIXCFTQUDWMSRP-WCQYABFASA-N 1 0 290.794 3.465 50 0 CGAARO CCc1c(-c2ccc([C@H](C)[NH+](C)C)cc2)cnn1C ZINC000426649451 281363705 /nfs/dbraw/zinc/36/37/05/281363705.db2.gz CXDGZUIOTCQTGN-LBPRGKRZSA-N 1 0 257.381 3.272 50 0 CGAARO COc1ccccc1[C@@H](CC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000000206867 295382775 /nfs/dbraw/zinc/38/27/75/295382775.db2.gz YSDNSMKWEDSRLY-KGLIPLIRSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO Cc1nccn1C[C@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534587189 328315844 /nfs/dbraw/zinc/31/58/44/328315844.db2.gz LIDJUGDKJQZRBC-AWEZNQCLSA-N 1 0 269.392 3.167 50 0 CGAARO C[C@@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+]1CCCC1 ZINC000534649279 328343812 /nfs/dbraw/zinc/34/38/12/328343812.db2.gz CTUWVRKTNRYTDQ-AWEZNQCLSA-N 1 0 282.387 3.398 50 0 CGAARO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000004958112 326813558 /nfs/dbraw/zinc/81/35/58/326813558.db2.gz AGDCXUSKFKYVQB-LLVKDONJSA-N 1 0 266.772 3.071 50 0 CGAARO Cc1ccc(C)c(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195506586 336055306 /nfs/dbraw/zinc/05/53/06/336055306.db2.gz WVGWSPVCCVKUMS-UHFFFAOYSA-N 1 0 299.418 3.285 50 0 CGAARO CC(C)CC[C@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000381726929 336071950 /nfs/dbraw/zinc/07/19/50/336071950.db2.gz LADOLPZFBQOJGX-KRWDZBQOSA-N 1 0 261.409 3.483 50 0 CGAARO FC(F)(F)c1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000060374484 501027111 /nfs/dbraw/zinc/02/71/11/501027111.db2.gz WGRRWEGLTNDWPS-OAHLLOKOSA-N 1 0 298.352 3.376 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)nc1 ZINC000096486359 534087462 /nfs/dbraw/zinc/08/74/62/534087462.db2.gz TUMXEBGZBRJFBG-DYVFJYSZSA-N 1 0 288.366 3.131 50 0 CGAARO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000390833385 523958668 /nfs/dbraw/zinc/95/86/68/523958668.db2.gz GTTKPWOTVYUTGG-ZOWXZIJZSA-N 1 0 283.799 3.042 50 0 CGAARO CC(C)Nc1ccc(-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000097743375 527761198 /nfs/dbraw/zinc/76/11/98/527761198.db2.gz NCEDHTZUJKQJIY-UHFFFAOYSA-N 1 0 270.380 3.026 50 0 CGAARO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1ccccn1)C2 ZINC000192437643 536948681 /nfs/dbraw/zinc/94/86/81/536948681.db2.gz OXEBCWBMUFCTCG-ZFWWWQNUSA-N 1 0 282.387 3.298 50 0 CGAARO CC1(C)CC(CC(=O)N[C@H]2C=CCCC2)CC(C)(C)[NH2+]1 ZINC000952976506 614518913 /nfs/dbraw/zinc/51/89/13/614518913.db2.gz WMXKSZGXGRJWTM-AWEZNQCLSA-N 1 0 278.440 3.158 50 0 CGAARO CCc1cc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)[nH]n1 ZINC000952966834 615650959 /nfs/dbraw/zinc/65/09/59/615650959.db2.gz FHRVXWDNFHQCQW-CYBMUJFWSA-N 1 0 295.390 3.009 50 0 CGAARO CC[C@H](c1ccccn1)[N@H+](C)Cc1cccc2nonc21 ZINC000952986757 615868528 /nfs/dbraw/zinc/86/85/28/615868528.db2.gz KLBHOYRHJMZFBS-OAHLLOKOSA-N 1 0 282.347 3.201 50 0 CGAARO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000117347108 618147942 /nfs/dbraw/zinc/14/79/42/618147942.db2.gz GBBGIPCLOAOSFZ-ZDUSSCGKSA-N 1 0 295.814 3.184 50 0 CGAARO CCCO[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)C1 ZINC000244633173 619215059 /nfs/dbraw/zinc/21/50/59/619215059.db2.gz FYFKKXZFIHEWGF-ROUUACIJSA-N 1 0 288.435 3.156 50 0 CGAARO C[C@H](C[C@@H](C)SC1CCCC1)[NH2+]CCn1ccnc1 ZINC000888098166 619260017 /nfs/dbraw/zinc/26/00/17/619260017.db2.gz CBSLIQLVFRXLFQ-ZIAGYGMSSA-N 1 0 281.469 3.316 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)C(C)(C)C(=O)OC(C)(C)C ZINC000888098226 619260119 /nfs/dbraw/zinc/26/01/19/619260119.db2.gz DKGJEJYZNCXMTN-LLVKDONJSA-N 1 0 298.452 3.298 50 0 CGAARO C[C@H](C[C@H](C)[NH2+]Cc1cc[nH]n1)SC1CCCC1 ZINC000888098669 619260411 /nfs/dbraw/zinc/26/04/11/619260411.db2.gz NSECJHFPKLXPHF-NWDGAFQWSA-N 1 0 267.442 3.342 50 0 CGAARO C[C@@H](Cc1ccccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000863982430 629721606 /nfs/dbraw/zinc/72/16/06/629721606.db2.gz KEUNNBAZTSBHPZ-DOTOQJQBSA-N 1 0 299.418 3.032 50 0 CGAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1([S@@](C)=O)CC1 ZINC000863983904 629721754 /nfs/dbraw/zinc/72/17/54/629721754.db2.gz MVRJFQXSWZMZOT-UVBSCNOISA-N 1 0 269.454 3.012 50 0 CGAARO Cc1cc(C)n2ncc(C[NH2+][C@@H](C)C3=CCCCC3)c2n1 ZINC000952990957 636776871 /nfs/dbraw/zinc/77/68/71/636776871.db2.gz KMZZRQTYFKJXIC-AWEZNQCLSA-N 1 0 284.407 3.325 50 0 CGAARO c1ccc2ncc(C[N@@H+]3CC[C@H](c4cnccn4)C3)cc2c1 ZINC000952995466 636778574 /nfs/dbraw/zinc/77/85/74/636778574.db2.gz NIVWFJKEOCBADR-INIZCTEOSA-N 1 0 290.370 3.014 50 0 CGAARO Cn1cccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342187 640769204 /nfs/dbraw/zinc/76/92/04/640769204.db2.gz CSUHRLHCMJWQKQ-UHFFFAOYSA-N 1 0 298.430 3.454 50 0 CGAARO CC[C@H]1CCCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093530245 640773615 /nfs/dbraw/zinc/77/36/15/640773615.db2.gz HZGCJBKYSSQDRY-LBPRGKRZSA-N 1 0 266.410 3.002 50 0 CGAARO Cc1cccc(OCCCCCC[NH+]2CCOCC2)c1 ZINC000019595475 641036364 /nfs/dbraw/zinc/03/63/64/641036364.db2.gz MYCVJEWAYSDCMD-UHFFFAOYSA-N 1 0 277.408 3.266 50 0 CGAARO c1ccc(-c2ccc(OCCCN3CC[NH2+]CC3)cc2)cc1 ZINC000019728677 641037767 /nfs/dbraw/zinc/03/77/67/641037767.db2.gz OZNSKRSCCUWRHB-UHFFFAOYSA-N 1 0 296.414 3.028 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)N(C)C)s1 ZINC000023339554 798838491 /nfs/dbraw/zinc/83/84/91/798838491.db2.gz QRQWKHWLQJVJQX-LBPRGKRZSA-N 1 0 280.437 3.243 50 0 CGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)C1CC=CC1 ZINC000077736627 798929023 /nfs/dbraw/zinc/92/90/23/798929023.db2.gz VRDCIEICKNEJFE-UHFFFAOYSA-N 1 0 270.376 3.187 50 0 CGAARO CCSCC[NH2+]Cc1nsc2ccccc12 ZINC000585117152 799677606 /nfs/dbraw/zinc/67/76/06/799677606.db2.gz SEUMWIAZKRVQPB-UHFFFAOYSA-N 1 0 252.408 3.139 50 0 CGAARO CCCNC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000581788080 799674141 /nfs/dbraw/zinc/67/41/41/799674141.db2.gz RXMYKNHYCRNKKG-MRXNPFEDSA-N 1 0 295.471 3.083 50 0 CGAARO CCC[C@H]1C=CC[N@@H+]1Cc1cc(OC)ccc1-n1cccn1 ZINC000822804630 800463915 /nfs/dbraw/zinc/46/39/15/800463915.db2.gz TZBOVGWKVGTWDF-INIZCTEOSA-N 1 0 297.402 3.421 50 0 CGAARO CSC(C)(C)C[C@@H](C)[NH2+]CCn1cnc(C)c1C ZINC000824870975 800472863 /nfs/dbraw/zinc/47/28/63/800472863.db2.gz FHDLMESWUCIFFU-LLVKDONJSA-N 1 0 269.458 3.010 50 0 CGAARO C[C@H]([NH2+]Cc1cccc2nonc21)C1=CCCCC1 ZINC000952863898 800684950 /nfs/dbraw/zinc/68/49/50/800684950.db2.gz XDBDJGDMVBVFGV-NSHDSACASA-N 1 0 257.337 3.201 50 0 CGAARO Cc1cc(F)ccc1Cc1noc([C@@H]2CCCCN2C)n1 ZINC000952876226 800685537 /nfs/dbraw/zinc/68/55/37/800685537.db2.gz HIIUYKLXZCMILU-AWEZNQCLSA-N 1 0 289.354 3.265 50 0 CGAARO CCCSc1ccc(NC(=O)[C@H](C)[N@H+](C)CC)cc1 ZINC001506412499 927397295 /nfs/dbraw/zinc/39/72/95/927397295.db2.gz DOVMEYVFYRBBQL-LBPRGKRZSA-N 1 0 280.437 3.467 50 0 CGAARO C[C@@H]([NH2+]C1CSCCSC1)c1cc(F)cc(F)c1 ZINC001506400013 937989635 /nfs/dbraw/zinc/98/96/35/937989635.db2.gz GWBAANXIBMYKFS-SECBINFHSA-N 1 0 289.416 3.464 50 0 CGAARO Cc1cccc([C@@H]2CCC[N@H+](CCc3ncc[nH]3)C2)c1 ZINC001529186795 938071652 /nfs/dbraw/zinc/07/16/52/938071652.db2.gz JZXWULCXGADVTM-MRXNPFEDSA-N 1 0 269.392 3.140 50 0 CGAARO Cc1cccc([C@H](C)[NH2+]CCCn2ccnc2)c1C ZINC000096476309 230379624 /nfs/dbraw/zinc/37/96/24/230379624.db2.gz WXHTWFLCJWQHRH-HNNXBMFYSA-N 1 0 257.381 3.241 50 0 CGAARO Cc1cc(NC(=O)[C@H]([NH2+][C@@H](C)C2CC2)c2ccccc2)no1 ZINC000095946725 185038306 /nfs/dbraw/zinc/03/83/06/185038306.db2.gz YQNVPTUHWQTLPX-BLLLJJGKSA-N 1 0 299.374 3.051 50 0 CGAARO Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCn2ccnc2)cc1 ZINC000095967089 185046309 /nfs/dbraw/zinc/04/63/09/185046309.db2.gz TWIQUFXFAIDANK-SJORKVTESA-N 1 0 287.382 3.338 50 0 CGAARO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000095968331 185046440 /nfs/dbraw/zinc/04/64/40/185046440.db2.gz VSLIYFHEASXTKQ-WFASDCNBSA-N 1 0 268.376 3.059 50 0 CGAARO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000095975530 185050637 /nfs/dbraw/zinc/05/06/37/185050637.db2.gz DDTLBJOMCAUTPK-KPZWWZAWSA-N 1 0 287.856 3.204 50 0 CGAARO C[N@@H+]1CCC[C@@H]1CCSc1n[nH]c(-c2cccs2)n1 ZINC000095975902 185050924 /nfs/dbraw/zinc/05/09/24/185050924.db2.gz KNMFAMDUSLRXNA-SNVBAGLBSA-N 1 0 294.449 3.110 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000095991121 185058176 /nfs/dbraw/zinc/05/81/76/185058176.db2.gz VGEGFDUJGRNSOG-CHWSQXEVSA-N 1 0 299.846 3.065 50 0 CGAARO C(=C\c1ccccc1)\CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000096791874 185114600 /nfs/dbraw/zinc/11/46/00/185114600.db2.gz TWKKVTBGJYNBEX-TWVNLXSWSA-N 1 0 270.420 3.260 50 0 CGAARO CC(C)C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012382262 344879528 /nfs/dbraw/zinc/87/95/28/344879528.db2.gz ISDYEVLJIMCCQK-OAHLLOKOSA-N 1 0 288.435 3.232 50 0 CGAARO c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000038351764 344955722 /nfs/dbraw/zinc/95/57/22/344955722.db2.gz RNZXCSZUVOWBTC-INIZCTEOSA-N 1 0 252.361 3.461 50 0 CGAARO Cc1noc(C)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191629848 282383859 /nfs/dbraw/zinc/38/38/59/282383859.db2.gz WAXHCUFOXDVITQ-UHFFFAOYSA-N 1 0 271.364 3.066 50 0 CGAARO CC1(C)CC(C(=O)Oc2ccccc2)CC(C)(C)[NH2+]1 ZINC000075286753 345500649 /nfs/dbraw/zinc/50/06/49/345500649.db2.gz JUTCKSLKHIBMPY-UHFFFAOYSA-N 1 0 261.365 3.149 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)cc1O ZINC000078988898 345627210 /nfs/dbraw/zinc/62/72/10/345627210.db2.gz REFXMWMGXXEMON-CRAIPNDOSA-N 1 0 299.370 3.021 50 0 CGAARO Fc1ccc(C2(C[NH2+][C@@H]3CCOC3)CCCC2)cc1 ZINC000088683066 345763493 /nfs/dbraw/zinc/76/34/93/345763493.db2.gz HBLIVZMZYRARPD-OAHLLOKOSA-N 1 0 263.356 3.016 50 0 CGAARO C[NH+](C)C[C@@]1(C)Cc2ccccc2[C@]1(O)Cc1ccccc1 ZINC000096027198 345901728 /nfs/dbraw/zinc/90/17/28/345901728.db2.gz TVMJKCNCLGEZRI-WOJBJXKFSA-N 1 0 295.426 3.241 50 0 CGAARO C[C@@H](SCCC[NH+]1CCN(C)CC1)c1cccs1 ZINC000097098683 345906897 /nfs/dbraw/zinc/90/68/97/345906897.db2.gz QVULEHJDUBSLRZ-CYBMUJFWSA-N 1 0 284.494 3.180 50 0 CGAARO Cc1ccc(C[N@H+](C)Cc2ccc(F)cn2)c(C)c1 ZINC000170605160 346194696 /nfs/dbraw/zinc/19/46/96/346194696.db2.gz HAJQSEIDDAGQDQ-UHFFFAOYSA-N 1 0 258.340 3.470 50 0 CGAARO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)OC1CCCCCC1 ZINC000170632636 346196233 /nfs/dbraw/zinc/19/62/33/346196233.db2.gz ZKDQOVMVDUPNEY-DLBZAZTESA-N 1 0 281.440 3.369 50 0 CGAARO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000170670395 346197158 /nfs/dbraw/zinc/19/71/58/346197158.db2.gz DBLRTEXPIYSJDJ-PZROIBLQSA-N 1 0 285.478 3.216 50 0 CGAARO C[C@H](CC[NH+]1CCC(c2nncn2C)CC1)c1ccccc1 ZINC000193736989 346269941 /nfs/dbraw/zinc/26/99/41/346269941.db2.gz LUPNXZLLJIXIJC-OAHLLOKOSA-N 1 0 298.434 3.188 50 0 CGAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCO[C@@H]21 ZINC000085630170 179107694 /nfs/dbraw/zinc/10/76/94/179107694.db2.gz UKYIHJVSFQCJAC-UAGQMJEPSA-N 1 0 284.403 3.114 50 0 CGAARO Cc1ccccc1[C@H]([NH2+]C1CCOCC1)c1ccncc1 ZINC000584900388 346723867 /nfs/dbraw/zinc/72/38/67/346723867.db2.gz PNYXTONOJAIUTF-GOSISDBHSA-N 1 0 282.387 3.248 50 0 CGAARO Clc1ccc2[nH]c(CC[NH2+][C@H]3CCCSC3)nc2c1 ZINC000584903563 346723913 /nfs/dbraw/zinc/72/39/13/346723913.db2.gz ISODZLIMGWOMIN-NSHDSACASA-N 1 0 295.839 3.244 50 0 CGAARO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000585137341 346725383 /nfs/dbraw/zinc/72/53/83/346725383.db2.gz TWZZKICHDUBPMU-SNVBAGLBSA-N 1 0 296.798 3.368 50 0 CGAARO O[C@H]1CC[C@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000601012552 347852032 /nfs/dbraw/zinc/85/20/32/347852032.db2.gz KZHPUOOVICRESI-MSOLQXFVSA-N 1 0 267.372 3.212 50 0 CGAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000090728981 180032802 /nfs/dbraw/zinc/03/28/02/180032802.db2.gz ZTNJKUHBSDEFJP-GWCFXTLKSA-N 1 0 280.412 3.331 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c(C)s1 ZINC000090888796 180053643 /nfs/dbraw/zinc/05/36/43/180053643.db2.gz AFGCPSPQSVZVSN-GFCCVEGCSA-N 1 0 268.426 3.196 50 0 CGAARO COC1(C[NH2+][C@H](c2ccccc2)C(C)C)CCOCC1 ZINC000091401427 180146915 /nfs/dbraw/zinc/14/69/15/180146915.db2.gz TVAAYCOEMWWPNA-INIZCTEOSA-N 1 0 277.408 3.169 50 0 CGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2ccoc2)C1 ZINC000091526277 180178922 /nfs/dbraw/zinc/17/89/22/180178922.db2.gz PEDYRKAFWPJTFY-MRXNPFEDSA-N 1 0 263.381 3.210 50 0 CGAARO Cc1c([C@@H]2CCC[N@@H+]2Cc2ccsc2)cnn1C ZINC000091967876 180293942 /nfs/dbraw/zinc/29/39/42/180293942.db2.gz OKNSEWGZXGGJMI-AWEZNQCLSA-N 1 0 261.394 3.127 50 0 CGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000092061946 180314982 /nfs/dbraw/zinc/31/49/82/180314982.db2.gz FCKUOFPDRVOQPV-KRWDZBQOSA-N 1 0 292.423 3.222 50 0 CGAARO Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000107686754 186185731 /nfs/dbraw/zinc/18/57/31/186185731.db2.gz WRHIKDLQQNYBGV-MRXNPFEDSA-N 1 0 277.408 3.122 50 0 CGAARO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000154914372 188170187 /nfs/dbraw/zinc/17/01/87/188170187.db2.gz DYMAOJSTDWKOJC-UHFFFAOYSA-N 1 0 283.297 3.369 50 0 CGAARO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000295174344 199387570 /nfs/dbraw/zinc/38/75/70/199387570.db2.gz GQVSDRQCKMIDBQ-JTQLQIEISA-N 1 0 273.829 3.384 50 0 CGAARO c1ccc(NCCC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000294643146 199119403 /nfs/dbraw/zinc/11/94/03/199119403.db2.gz BEEXPSPCXGHECR-MRXNPFEDSA-N 1 0 274.408 3.180 50 0 CGAARO CSc1ccc(-c2ccc3c(c2)C[C@H](C[NH3+])O3)cc1 ZINC000299784967 200872967 /nfs/dbraw/zinc/87/29/67/200872967.db2.gz PWAGQRHYRNAFHT-CQSZACIVSA-N 1 0 271.385 3.338 50 0 CGAARO CCCc1csc(C[NH2+]C[C@@H]2COc3ccccc32)n1 ZINC000342459348 216358808 /nfs/dbraw/zinc/35/88/08/216358808.db2.gz YGHFJKNCCIAOGK-GFCCVEGCSA-N 1 0 288.416 3.361 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191887649 189607222 /nfs/dbraw/zinc/60/72/22/189607222.db2.gz VGXFFTOLRVAGJN-SJORKVTESA-N 1 0 298.434 3.107 50 0 CGAARO COc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000239201 368321958 /nfs/dbraw/zinc/32/19/58/368321958.db2.gz HAQIOCKMJMYZCD-UHFFFAOYSA-N 1 0 253.345 3.254 50 0 CGAARO CCOC(=O)c1c2cc(O)ccc2oc1C[NH+](CC)CC ZINC000000108870 368292757 /nfs/dbraw/zinc/29/27/57/368292757.db2.gz OBWGGOKWQTUIPQ-UHFFFAOYSA-N 1 0 291.347 3.157 50 0 CGAARO COc1cc2c(cc1OC)C1(CCCCC1)C[NH2+]C2 ZINC000000343459 368344161 /nfs/dbraw/zinc/34/41/61/368344161.db2.gz TYOLGEIGMAOIIO-UHFFFAOYSA-N 1 0 261.365 3.009 50 0 biogenic CGAARO CC(C)[C@@H]1C[C@@](CC[NH3+])(Cc2ccccc2)CCO1 ZINC000000343910 368344836 /nfs/dbraw/zinc/34/48/36/368344836.db2.gz WSXVXVYATOMEAJ-DLBZAZTESA-N 1 0 261.409 3.399 50 0 CGAARO CCC[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccccc1)C2 ZINC000000384061 368354161 /nfs/dbraw/zinc/35/41/61/368354161.db2.gz DSFMTHYTDKUCRH-XYPWUTKMSA-N 1 0 273.376 3.249 50 0 CGAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1 ZINC000000514987 368383085 /nfs/dbraw/zinc/38/30/85/368383085.db2.gz LOGKBSJPIGTVFS-UHFFFAOYSA-N 1 0 295.386 3.320 50 0 CGAARO CCOC(=O)[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000000757296 368393623 /nfs/dbraw/zinc/39/36/23/368393623.db2.gz JJLFRYWGPDLMCT-MRXNPFEDSA-N 1 0 275.392 3.037 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000000783099 368395246 /nfs/dbraw/zinc/39/52/46/368395246.db2.gz PPTLXQUWPZTBSO-ZIAGYGMSSA-N 1 0 292.448 3.085 50 0 CGAARO CC(C)Oc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000002191171 368449806 /nfs/dbraw/zinc/44/98/06/368449806.db2.gz VCDXKLBQHHSRGQ-UHFFFAOYSA-N 1 0 263.381 3.385 50 0 CGAARO CCCCN1c2cc(C)c(C)cc2N2CCC[NH+]=C12 ZINC000002473791 368456231 /nfs/dbraw/zinc/45/62/31/368456231.db2.gz SOLYWHCJVJWXIT-UHFFFAOYSA-N 1 0 257.381 3.490 50 0 CGAARO Brc1ccccc1OCCC[NH+]1CCCC1 ZINC000003106082 368491337 /nfs/dbraw/zinc/49/13/37/368491337.db2.gz RGMOMNHQDYQJEH-UHFFFAOYSA-N 1 0 284.197 3.314 50 0 CGAARO Cc1c(C)c(C)c(C(=O)C2CC[NH2+]CC2)c(C)c1C ZINC000004014698 368526279 /nfs/dbraw/zinc/52/62/79/368526279.db2.gz KYUWWJRUBKMXCX-UHFFFAOYSA-N 1 0 259.393 3.411 50 0 CGAARO COCCC[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000003460851 368508111 /nfs/dbraw/zinc/50/81/11/368508111.db2.gz LRUBCTZQTNUFOH-UHFFFAOYSA-N 1 0 292.206 3.388 50 0 CGAARO Clc1ccc(C[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000004656782 368553850 /nfs/dbraw/zinc/55/38/50/368553850.db2.gz QDDSJTYRNMUQMU-NSHDSACASA-N 1 0 260.164 3.262 50 0 CGAARO COc1ccccc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000004981408 368559417 /nfs/dbraw/zinc/55/94/17/368559417.db2.gz FAOKJMLDKCGWOD-UHFFFAOYSA-N 1 0 288.435 3.396 50 0 CGAARO CN[C@@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000004253620 368539923 /nfs/dbraw/zinc/53/99/23/368539923.db2.gz KHFGTAUHOXBKHC-AWEZNQCLSA-N 1 0 252.789 3.086 50 0 CGAARO C[C@@H](C[NH2+]Cc1ccco1)COc1ccc(F)cc1 ZINC000004480700 368547480 /nfs/dbraw/zinc/54/74/80/368547480.db2.gz UFOJQXTWEOPVPY-LBPRGKRZSA-N 1 0 263.312 3.223 50 0 CGAARO Cc1ccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000007811611 368571487 /nfs/dbraw/zinc/57/14/87/368571487.db2.gz PENUHVRODHXGRI-ZIAGYGMSSA-N 1 0 274.408 3.220 50 0 CGAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000011960001 368600939 /nfs/dbraw/zinc/60/09/39/368600939.db2.gz FFTAILRALRFAPC-KWQFWETISA-N 1 0 274.286 3.017 50 0 CGAARO c1ccc(-c2ccccc2OC2CC[NH2+]CC2)cc1 ZINC000012137848 368604037 /nfs/dbraw/zinc/60/40/37/368604037.db2.gz YXPNJUFYBHASBC-UHFFFAOYSA-N 1 0 253.345 3.484 50 0 CGAARO CC[NH+]1CCN(c2nc3c(cccc3Cl)s2)CC1 ZINC000012230031 368606597 /nfs/dbraw/zinc/60/65/97/368606597.db2.gz CNJNDJBVQAGLKZ-UHFFFAOYSA-N 1 0 281.812 3.092 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)C1CCCCC1)c1ccsc1 ZINC000012348633 368608363 /nfs/dbraw/zinc/60/83/63/368608363.db2.gz PEMPRNZWFUEBFJ-CQSZACIVSA-N 1 0 280.437 3.047 50 0 CGAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000013153559 368645546 /nfs/dbraw/zinc/64/55/46/368645546.db2.gz GQHHYJDZVGBDKK-OKILXGFUSA-N 1 0 281.371 3.094 50 0 CGAARO Cc1ccccc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013668459 368661287 /nfs/dbraw/zinc/66/12/87/368661287.db2.gz HBRPFFMUPLRFDX-GASCZTMLSA-N 1 0 288.435 3.093 50 0 CGAARO CCc1cccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247616 368710234 /nfs/dbraw/zinc/71/02/34/368710234.db2.gz LPMRCWNLWCJZSN-GASCZTMLSA-N 1 0 277.408 3.127 50 0 CGAARO FC(F)(F)c1cccc(OCC2CC[NH2+]CC2)c1 ZINC000014631449 368683097 /nfs/dbraw/zinc/68/30/97/368683097.db2.gz ULEABYFKSUWDGW-UHFFFAOYSA-N 1 0 259.271 3.084 50 0 CGAARO c1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1 ZINC000019606455 368758958 /nfs/dbraw/zinc/75/89/58/368758958.db2.gz JCZOWAIOABSXSL-KRWDZBQOSA-N 1 0 253.345 3.090 50 0 biogenic CGAARO COc1cc(C[NH2+]CCc2ccccc2F)cc(OC)c1 ZINC000019720746 368761645 /nfs/dbraw/zinc/76/16/45/368761645.db2.gz BYMQNMVCFOAASI-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CSc1ccc(CC[NH+]2CCC(C(C)(C)O)CC2)cc1 ZINC000019774584 368764000 /nfs/dbraw/zinc/76/40/00/368764000.db2.gz IDRNJULAZTVWBX-UHFFFAOYSA-N 1 0 293.476 3.434 50 0 CGAARO CC(C)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000019770631 368764653 /nfs/dbraw/zinc/76/46/53/368764653.db2.gz FTWZALSOEACWQD-UHFFFAOYSA-N 1 0 277.408 3.301 50 0 CGAARO C1=CC[C@@H](C[NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC000019790120 368767725 /nfs/dbraw/zinc/76/77/25/368767725.db2.gz HTFRZBDEHDGYDN-MRXNPFEDSA-N 1 0 262.441 3.293 50 0 CGAARO COc1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019570465 368756823 /nfs/dbraw/zinc/75/68/23/368756823.db2.gz GHTVYGALNWGLQA-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO OC1(C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000021984799 368810251 /nfs/dbraw/zinc/81/02/51/368810251.db2.gz QILKRCMMHALAJX-UHFFFAOYSA-N 1 0 267.372 3.214 50 0 CGAARO C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)c1ccccc1 ZINC000023280050 368819060 /nfs/dbraw/zinc/81/90/60/368819060.db2.gz YLBDUBRHZYYZFS-INIZCTEOSA-N 1 0 277.314 3.130 50 0 CGAARO CN(C)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1 ZINC000023898986 368824767 /nfs/dbraw/zinc/82/47/67/368824767.db2.gz SOHZBLXJWLNFPX-UHFFFAOYSA-N 1 0 297.402 3.067 50 0 CGAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000024045229 368828335 /nfs/dbraw/zinc/82/83/35/368828335.db2.gz UHGDZGBQFFYMAS-UHFFFAOYSA-N 1 0 295.386 3.238 50 0 CGAARO [NH3+][C@@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000019971007 368792395 /nfs/dbraw/zinc/79/23/95/368792395.db2.gz JWINCZBVUPPUFG-HNNXBMFYSA-N 1 0 259.736 3.323 50 0 CGAARO Cc1cc(C)c(C[NH2+]Cc2cnc(C)cc2C)cn1 ZINC000026438358 368859901 /nfs/dbraw/zinc/85/99/01/368859901.db2.gz IMIUCHFPLAXQIV-UHFFFAOYSA-N 1 0 255.365 3.000 50 0 CGAARO CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583836 368872355 /nfs/dbraw/zinc/87/23/55/368872355.db2.gz AZMDJVMZHUVNAC-HNNXBMFYSA-N 1 0 294.826 3.393 50 0 CGAARO CCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027582298 368872650 /nfs/dbraw/zinc/87/26/50/368872650.db2.gz UAMVIRLUAOOBPY-INIZCTEOSA-N 1 0 274.408 3.048 50 0 CGAARO Cc1nccn1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032547883 368936215 /nfs/dbraw/zinc/93/62/15/368936215.db2.gz SAFBJMPFHZSTAL-HNNXBMFYSA-N 1 0 295.471 3.139 50 0 CGAARO Oc1ccc(C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000032891653 368950237 /nfs/dbraw/zinc/95/02/37/368950237.db2.gz AZKLACIKWBCFHN-UHFFFAOYSA-N 1 0 268.360 3.167 50 0 CGAARO C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000035762780 369004015 /nfs/dbraw/zinc/00/40/15/369004015.db2.gz ADMWZOCUPSQHDJ-VIFPVBQESA-N 1 0 258.184 3.205 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000037163115 369074624 /nfs/dbraw/zinc/07/46/24/369074624.db2.gz PLVWIHGBFNUOAD-SNVBAGLBSA-N 1 0 287.388 3.077 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000037878813 369122342 /nfs/dbraw/zinc/12/23/42/369122342.db2.gz KOVMLPJQBCEWGY-SECBINFHSA-N 1 0 294.196 3.331 50 0 CGAARO Cc1ccc2[nH]c(Nc3ccc4c(c3)OCO4)[nH+]c2c1 ZINC000041599856 369193204 /nfs/dbraw/zinc/19/32/04/369193204.db2.gz AOLXHZMVRMQBHE-UHFFFAOYSA-N 1 0 267.288 3.344 50 0 CGAARO CCc1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042775152 369232278 /nfs/dbraw/zinc/23/22/78/369232278.db2.gz KDVGEQHNFVRWQX-UHFFFAOYSA-N 1 0 253.773 3.281 50 0 CGAARO Clc1ccc(OC2C[NH2+]C2)c(-c2ccccc2)c1 ZINC000042769670 369231219 /nfs/dbraw/zinc/23/12/19/369231219.db2.gz VWYVMFWKHSUUOW-UHFFFAOYSA-N 1 0 259.736 3.358 50 0 CGAARO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000048909737 369373018 /nfs/dbraw/zinc/37/30/18/369373018.db2.gz CPGHEIWCBGLQCX-GFCCVEGCSA-N 1 0 295.814 3.193 50 0 CGAARO C[NH2+]C[C@H]1Cc2ccccc2CN1Cc1ccccc1C ZINC000051860101 369456619 /nfs/dbraw/zinc/45/66/19/369456619.db2.gz LAUKWGHNEQLETA-LJQANCHMSA-N 1 0 280.415 3.141 50 0 CGAARO COc1ccc2[nH]cc(CC[NH2+]Cc3cccnc3)c2c1 ZINC000057292039 369533100 /nfs/dbraw/zinc/53/31/00/369533100.db2.gz 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261.365 3.274 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(F)cc1)C(=O)Nc1ccccc1F ZINC000058163266 392112844 /nfs/dbraw/zinc/11/28/44/392112844.db2.gz NEHWMHYJSYASFG-NSHDSACASA-N 1 0 290.313 3.082 50 0 CGAARO CC(C)c1cccc(C[NH2+][C@H](C)C2CCOCC2)n1 ZINC000095985407 392244329 /nfs/dbraw/zinc/24/43/29/392244329.db2.gz HGGDOKJWWQBKMV-CYBMUJFWSA-N 1 0 262.397 3.110 50 0 CGAARO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000096414853 392251438 /nfs/dbraw/zinc/25/14/38/392251438.db2.gz SUUXUWYCFMUDLT-CJNGLKHVSA-N 1 0 292.398 3.254 50 0 CGAARO COc1cc(-c2ccc(C)cc2)cc2c1OCC[NH2+]C2 ZINC000299799565 392581024 /nfs/dbraw/zinc/58/10/24/392581024.db2.gz SSXCBPGVKMBXHU-UHFFFAOYSA-N 1 0 269.344 3.153 50 0 CGAARO OCc1ccccc1C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000372971438 392652504 /nfs/dbraw/zinc/65/25/04/392652504.db2.gz CIKOABQJEKODPV-KRWDZBQOSA-N 1 0 287.403 3.051 50 0 CGAARO CS[C@@H](C)CC[N@H+](C)CCCc1c(C)n[nH]c1C ZINC000215475430 392986831 /nfs/dbraw/zinc/98/68/31/392986831.db2.gz 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170043341 /nfs/dbraw/zinc/04/33/41/170043341.db2.gz FPTCVGWGLCWRBK-ZDUSSCGKSA-N 1 0 282.387 3.285 50 0 CGAARO CCOc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000004978475 170047898 /nfs/dbraw/zinc/04/78/98/170047898.db2.gz IAUQZZXXCOUNCP-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000004989511 170049912 /nfs/dbraw/zinc/04/99/12/170049912.db2.gz WXRZFFNOPWJODR-ZDUSSCGKSA-N 1 0 299.370 3.145 50 0 CGAARO COc1ccc([C@@H](CC[NH3+])c2ccccc2OC)cc1 ZINC000004990796 170050430 /nfs/dbraw/zinc/05/04/30/170050430.db2.gz VCHLCCPCLWXZTQ-OAHLLOKOSA-N 1 0 271.360 3.185 50 0 CGAARO C[NH+](C)Cc1ccccc1Sc1cccc(CO)c1 ZINC000006637844 170220802 /nfs/dbraw/zinc/22/08/02/170220802.db2.gz SSYFHQUQBYKQHX-UHFFFAOYSA-N 1 0 273.401 3.392 50 0 CGAARO Cc1cccc(-c2noc(C[NH2+]C3CCCCC3)n2)c1 ZINC000006701581 170229481 /nfs/dbraw/zinc/22/94/81/170229481.db2.gz OSBRZTCJDFLAKX-UHFFFAOYSA-N 1 0 271.364 3.467 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000008130556 170319954 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176292310 /nfs/dbraw/zinc/29/23/10/176292310.db2.gz XDAHKOZKNHHNNK-CYBMUJFWSA-N 1 0 256.349 3.023 50 0 CGAARO C[C@H](CCNC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000072117482 176319356 /nfs/dbraw/zinc/31/93/56/176319356.db2.gz LDVQHBHPKJIOMX-GFCCVEGCSA-N 1 0 295.814 3.336 50 0 CGAARO Cc1nccn1CCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072129224 176321108 /nfs/dbraw/zinc/32/11/08/176321108.db2.gz SOAYQLRGXFRBSZ-KRWDZBQOSA-N 1 0 284.407 3.204 50 0 CGAARO CCCc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000072153644 176327978 /nfs/dbraw/zinc/32/79/78/176327978.db2.gz MWEGLVSBERTJOX-QGZVFWFLSA-N 1 0 288.435 3.195 50 0 CGAARO CCn1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)cn1 ZINC000072165647 176331082 /nfs/dbraw/zinc/33/10/82/176331082.db2.gz BLLRKINQHFXBCV-KRWDZBQOSA-N 1 0 269.392 3.412 50 0 CGAARO COc1ccccc1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000075940429 176836117 /nfs/dbraw/zinc/83/61/17/176836117.db2.gz QCFMXGMKRGNMDA-QGZVFWFLSA-N 1 0 282.387 3.470 50 0 CGAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(C2CCC2)o1 ZINC000685939534 544109922 /nfs/dbraw/zinc/10/99/22/544109922.db2.gz DSMDHPVUAWZQQN-KWCYVHTRSA-N 1 0 275.396 3.490 50 0 CGAARO Cc1[nH]c2c(cccc2C)c1[C@H](O)C[NH+]1CCCCC1 ZINC000021793185 260122245 /nfs/dbraw/zinc/12/22/45/260122245.db2.gz USTFQNKVUUTSFX-OAHLLOKOSA-N 1 0 272.392 3.304 50 0 CGAARO CCOc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000039279940 260172051 /nfs/dbraw/zinc/17/20/51/260172051.db2.gz HIQNVZMOZXAWEP-UHFFFAOYSA-N 1 0 293.798 3.115 50 0 CGAARO c1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000023281914 266023075 /nfs/dbraw/zinc/02/30/75/266023075.db2.gz GCVAXLFIWWJEED-INIZCTEOSA-N 1 0 256.393 3.165 50 0 CGAARO [NH3+][C@@H]1CCO[C@H]1c1cncc(-c2ccc(OC3CC3)cc2)c1 ZINC000527588443 270130079 /nfs/dbraw/zinc/13/00/79/270130079.db2.gz JJBROWRAIRGACU-MSOLQXFVSA-N 1 0 296.370 3.079 50 0 CGAARO CN(C)c1cc[n+](Cc2c(Cl)cccc2Cl)cc1 ZINC000000480193 273820897 /nfs/dbraw/zinc/82/08/97/273820897.db2.gz NWEBNKIPPPLMNS-UHFFFAOYSA-N 1 0 282.194 3.395 50 0 CGAARO CC(C)c1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774645 275725387 /nfs/dbraw/zinc/72/53/87/275725387.db2.gz XGLRIHIVZNLDRC-LLVKDONJSA-N 1 0 284.197 3.313 50 0 CGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000195575923 275912658 /nfs/dbraw/zinc/91/26/58/275912658.db2.gz DHEFTPGBHHMEGM-SOUVJXGZSA-N 1 0 288.439 3.257 50 0 CGAARO CCN1CCC[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000032565267 276165795 /nfs/dbraw/zinc/16/57/95/276165795.db2.gz JODIUSQJXNIDLQ-IAGOWNOFSA-N 1 0 264.457 3.373 50 0 CGAARO C[NH+](C)CCC[C@@]1(O)c2ccccc2COc2ccccc21 ZINC000002037772 276785549 /nfs/dbraw/zinc/78/55/49/276785549.db2.gz ZEKLFUWSVQYTOO-LJQANCHMSA-N 1 0 297.398 3.157 50 0 CGAARO COc1c(-c2ccccc2)sc2cccc(C)[n+]21 ZINC000039240531 277779513 /nfs/dbraw/zinc/77/95/13/277779513.db2.gz VMWNNILRWMWPDM-UHFFFAOYSA-N 1 0 256.350 3.471 50 0 CGAARO CC/C=C/CC(=O)N1CCC[C@@]2(CCC[N@H+](CC)C2)C1 ZINC000071708011 278163994 /nfs/dbraw/zinc/16/39/94/278163994.db2.gz BGEZZASLRQQOJO-FUTAKVPZSA-N 1 0 278.440 3.067 50 0 CGAARO C[C@@H](N[C@@H](C)c1ccccn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000245339025 278365299 /nfs/dbraw/zinc/36/52/99/278365299.db2.gz PZUJCWBWZXOFPA-PMPSAXMXSA-N 1 0 287.451 3.385 50 0 CGAARO CC[C@@H](CCO)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000195557687 280138737 /nfs/dbraw/zinc/13/87/37/280138737.db2.gz LLCXGDSWIHKHDW-WFASDCNBSA-N 1 0 281.371 3.038 50 0 CGAARO c1cc(CC[NH2+]C2CCCCCC2)cc2c1OCO2 ZINC000000350663 280466132 /nfs/dbraw/zinc/46/61/32/280466132.db2.gz XQXHATZMVYKQIA-UHFFFAOYSA-N 1 0 261.365 3.270 50 0 CGAARO Cc1cc2c(c(C)c1Cl)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000011849205 280671761 /nfs/dbraw/zinc/67/17/61/280671761.db2.gz RBLLLHQHNPFEEO-UHFFFAOYSA-N 1 0 279.767 3.044 50 0 CGAARO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000252493627 281284681 /nfs/dbraw/zinc/28/46/81/281284681.db2.gz NEURMEGUEHENPW-QRTARXTBSA-N 1 0 275.392 3.366 50 0 CGAARO Clc1ccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)o1 ZINC000215301135 294103942 /nfs/dbraw/zinc/10/39/42/294103942.db2.gz HTMLUHJRKVBCPH-CYBMUJFWSA-N 1 0 282.815 3.383 50 0 CGAARO COc1ccccc1[C@H](CC[NH3+])[C@@H]1CCOC(C)(C)C1 ZINC000000206863 295400638 /nfs/dbraw/zinc/40/06/38/295400638.db2.gz YSDNSMKWEDSRLY-ZIAGYGMSSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO Cc1cc(OC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1Cl ZINC000001469919 301377878 /nfs/dbraw/zinc/37/78/78/301377878.db2.gz VNCDVLJOGRFWAY-AWEZNQCLSA-N 1 0 297.826 3.120 50 0 CGAARO Fc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)cc21 ZINC000436281264 534528207 /nfs/dbraw/zinc/52/82/07/534528207.db2.gz GMMSNTUVVKDUMM-VMGRFDJRSA-N 1 0 288.366 3.354 50 0 CGAARO c1ccc(-c2nc(SCC[NH+]3CCCCC3)n[nH]2)cc1 ZINC000008883710 526452215 /nfs/dbraw/zinc/45/22/15/526452215.db2.gz OBBYHUVKUUIVLW-UHFFFAOYSA-N 1 0 288.420 3.050 50 0 CGAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)C2CC=CC2)cc1 ZINC000952983330 615954540 /nfs/dbraw/zinc/95/45/40/615954540.db2.gz UFSZUGUAJAWYSH-SFHVURJKSA-N 1 0 298.430 3.378 50 0 CGAARO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cnc[nH]1 ZINC000112343578 618961881 /nfs/dbraw/zinc/96/18/81/618961881.db2.gz ZXAIAMNHGGFSLE-CYBMUJFWSA-N 1 0 257.381 3.256 50 0 CGAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@@H](C)OCC1(C)C ZINC000192145635 620382945 /nfs/dbraw/zinc/38/29/45/620382945.db2.gz VOGNVCAOLIYDRC-OAHLLOKOSA-N 1 0 299.418 3.180 50 0 CGAARO CCC[C@H]([NH2+][C@H]1COC2(CCC2)C1)[C@@H](O)c1ccccc1 ZINC000850467574 624202889 /nfs/dbraw/zinc/20/28/89/624202889.db2.gz XFFUZRILMOBDEI-IKGGRYGDSA-N 1 0 289.419 3.190 50 0 CGAARO CC(C)c1noc(CC[NH2+][C@H](C)c2cccc(F)c2F)n1 ZINC000183294857 625059886 /nfs/dbraw/zinc/05/98/86/625059886.db2.gz KQHLJTHAPWAVIX-SNVBAGLBSA-N 1 0 295.333 3.365 50 0 CGAARO C[C@H](NC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000863982340 629721055 /nfs/dbraw/zinc/72/10/55/629721055.db2.gz DDHHUVNVUOQXRD-ZDUSSCGKSA-N 1 0 285.391 3.086 50 0 CGAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cnc(-c2ccccc2)o1 ZINC000864091451 629767504 /nfs/dbraw/zinc/76/75/04/629767504.db2.gz VUVBSIPKOBLLNK-ZBFHGGJFSA-N 1 0 297.402 3.010 50 0 CGAARO Cc1nc(C[NH2+]CC2(CC(C)C)CCC2)n(C)c1C ZINC000952971442 636775729 /nfs/dbraw/zinc/77/57/29/636775729.db2.gz KCXYPCNPCAFPLX-UHFFFAOYSA-N 1 0 263.429 3.343 50 0 CGAARO C[C@@H]([NH2+]CCn1c2ccccc2oc1=O)C1=CCCCC1 ZINC000952978184 636777486 /nfs/dbraw/zinc/77/74/86/636777486.db2.gz XQPQCQDSSVNZIC-CYBMUJFWSA-N 1 0 286.375 3.073 50 0 CGAARO Fc1ccc(/C=C\C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000885974581 637339372 /nfs/dbraw/zinc/33/93/72/637339372.db2.gz MQIFZFJJOBVIGN-IWQZZHSRSA-N 1 0 285.366 3.373 50 0 CGAARO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C/SC)cc1 ZINC000075107663 640118929 /nfs/dbraw/zinc/11/89/29/640118929.db2.gz DWFSADTVLPSOHQ-ZHACJKMWSA-N 1 0 292.448 3.021 50 0 CGAARO CCCN1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC000000280153 640921057 /nfs/dbraw/zinc/92/10/57/640921057.db2.gz DDBSRZMHLJZCMJ-UHFFFAOYSA-N 1 0 260.425 3.383 50 0 CGAARO C[C@@H]1C[C@](O)(c2ccccc2)[C@@H](C)C[N@@H+]1C(C)(C)C ZINC000016310731 640930409 /nfs/dbraw/zinc/93/04/09/640930409.db2.gz WAYZJBMQUCOOHW-JJRVBVJISA-N 1 0 261.409 3.403 50 0 CGAARO Cc1nn(C(C)C)c(C)c1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000019731186 641038056 /nfs/dbraw/zinc/03/80/56/641038056.db2.gz HUGDGVDVKVIHKB-INIZCTEOSA-N 1 0 299.418 3.174 50 0 CGAARO Cn1c(CN2CC[C@@H](C(F)(F)F)C2(C)C)cnc1Cl ZINC000585091338 799677725 /nfs/dbraw/zinc/67/77/25/799677725.db2.gz OSDPRCUZNBHKAI-SECBINFHSA-N 1 0 295.736 3.236 50 0 CGAARO C[C@H](c1nc(-c2ccco2)n[nH]1)[NH+]1CCCCCC1 ZINC000822182693 800459730 /nfs/dbraw/zinc/45/97/30/800459730.db2.gz FNILUNNOCAVIIS-LLVKDONJSA-N 1 0 260.341 3.002 50 0 CGAARO CC[C@H](C)Oc1ccccc1C[N@H+](C)CC1(C)COC1 ZINC000822645473 800462623 /nfs/dbraw/zinc/46/26/23/800462623.db2.gz KTSGNBIARZPEDX-AWEZNQCLSA-N 1 0 277.408 3.332 50 0 CGAARO CC[C@H](Cc1ccco1)[NH2+]Cc1cncn1CC(C)C ZINC000822620687 800462650 /nfs/dbraw/zinc/46/26/50/800462650.db2.gz YCWWIYMIXQBJHR-CQSZACIVSA-N 1 0 275.396 3.243 50 0 CGAARO CC[N@H+](C)C[C@H](C)c1nc(-c2c[nH]c3ccccc23)n[nH]1 ZINC000823076021 800465536 /nfs/dbraw/zinc/46/55/36/800465536.db2.gz GWNNFZKZSFOUBU-NSHDSACASA-N 1 0 283.379 3.008 50 0 CGAARO CCn1ccc2c1cccc2C[N@H+](C)C[C@@H]1CCOC1 ZINC000823587856 800468164 /nfs/dbraw/zinc/46/81/64/800468164.db2.gz JBCRFYMOVQXFGQ-AWEZNQCLSA-N 1 0 272.392 3.130 50 0 CGAARO CC(C)Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)s1 ZINC000823709245 800468872 /nfs/dbraw/zinc/46/88/72/800468872.db2.gz QMRYJNBOBUTNSR-CYBMUJFWSA-N 1 0 267.438 3.415 50 0 CGAARO Cc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]Cc1cccnc1N ZINC000952874121 800686339 /nfs/dbraw/zinc/68/63/39/800686339.db2.gz WTIDNVOAHKVCPM-OAHLLOKOSA-N 1 0 297.402 3.364 50 0 CGAARO OC[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000023280312 926834746 /nfs/dbraw/zinc/83/47/46/926834746.db2.gz XJHGFSFFDKKRSE-INIZCTEOSA-N 1 0 293.410 3.462 50 0 CGAARO CCc1noc(CN(C)c2cc(C)[nH+]c3ccccc32)n1 ZINC001506423438 937990232 /nfs/dbraw/zinc/99/02/32/937990232.db2.gz WHXZCEWDVASWLG-UHFFFAOYSA-N 1 0 282.347 3.125 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[N@@H+]2CCC3(CCCC3)C2)n1 ZINC001529110026 938070955 /nfs/dbraw/zinc/07/09/55/938070955.db2.gz IYKUZAFUYMMTKQ-HNNXBMFYSA-N 1 0 261.413 3.155 50 0 CGAARO C[C@H](CO)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493422 230383211 /nfs/dbraw/zinc/38/32/11/230383211.db2.gz OINYDUKDAGCZAL-BDAKNGLRSA-N 1 0 253.729 3.118 50 0 CGAARO C[C@@H](c1ccc(-c2cnn(CCO)c2)cc1)[NH+]1CCCCC1 ZINC000426471285 230419186 /nfs/dbraw/zinc/41/91/86/230419186.db2.gz AQYCKNOSFVTSAE-HNNXBMFYSA-N 1 0 299.418 3.089 50 0 CGAARO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(O)c1 ZINC000194934712 230396121 /nfs/dbraw/zinc/39/61/21/230396121.db2.gz IMYHOPSJDGRZRY-SUNYJGFJSA-N 1 0 285.387 3.035 50 0 CGAARO CC(C)[C@@H](C)[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000095962556 185044966 /nfs/dbraw/zinc/04/49/66/185044966.db2.gz SMPVQRWRTBSDFA-CYBMUJFWSA-N 1 0 275.371 3.488 50 0 CGAARO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000095968110 185047163 /nfs/dbraw/zinc/04/71/63/185047163.db2.gz OFORJAQZVLJMQJ-DJJJIMSYSA-N 1 0 297.489 3.360 50 0 CGAARO CCC[C@@H](C[N@@H+]1CCCN(C(C)=O)CC1)c1ccccc1 ZINC000095986558 185056370 /nfs/dbraw/zinc/05/63/70/185056370.db2.gz VQPLJVVXKKBSIT-SFHVURJKSA-N 1 0 288.435 3.125 50 0 CGAARO C[C@@H](c1cccc(-c2n[nH]c(C(F)(F)F)n2)c1)[NH+](C)C ZINC000096130386 185103844 /nfs/dbraw/zinc/10/38/44/185103844.db2.gz BMDRKRXMOHTSQT-QMMMGPOBSA-N 1 0 284.285 3.113 50 0 CGAARO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1cccc(Cl)c1 ZINC000097032972 185156205 /nfs/dbraw/zinc/15/62/05/185156205.db2.gz UGDVYMWRAZHCPF-LLVKDONJSA-N 1 0 289.766 3.024 50 0 CGAARO COc1ccc(CC[N@H+](C)Cc2cccs2)cc1OC ZINC000019809192 344890599 /nfs/dbraw/zinc/89/05/99/344890599.db2.gz CXPWUYSGDKRGLY-UHFFFAOYSA-N 1 0 291.416 3.440 50 0 CGAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccccc1Cl ZINC000022078170 344894454 /nfs/dbraw/zinc/89/44/54/344894454.db2.gz IZHZCEUUWHTUJU-SWLSCSKDSA-N 1 0 264.800 3.009 50 0 CGAARO CC(C)[NH2+]C[C@H](O)CSc1ccc2ccccc2c1 ZINC000035676511 344942608 /nfs/dbraw/zinc/94/26/08/344942608.db2.gz AJSAFKNPDPGBGZ-HNNXBMFYSA-N 1 0 275.417 3.291 50 0 CGAARO COc1ccc(C2([NH2+][C@H]3C=CCCC3)CCOCC2)cc1 ZINC000066539884 345299164 /nfs/dbraw/zinc/29/91/64/345299164.db2.gz MKXMDFZYCWQCSL-INIZCTEOSA-N 1 0 287.403 3.399 50 0 CGAARO CC(=O)N(CC[C@@H]([NH3+])c1ccccc1)c1ccccc1C ZINC000096027831 345901732 /nfs/dbraw/zinc/90/17/32/345901732.db2.gz WXJBFVODTRARIZ-QGZVFWFLSA-N 1 0 282.387 3.438 50 0 CGAARO c1ccc([C@H]([NH2+]CCC2=CCOCC2)c2ccccn2)cc1 ZINC000097233927 345907481 /nfs/dbraw/zinc/90/74/81/345907481.db2.gz CAIBQWFKUBKBMK-IBGZPJMESA-N 1 0 294.398 3.497 50 0 CGAARO C[C@H]([NH2+]C1(CO)CC1)c1ccc(SC(F)F)cc1 ZINC000170068521 346193476 /nfs/dbraw/zinc/19/34/76/346193476.db2.gz JNZRGORRYQIERW-VIFPVBQESA-N 1 0 273.348 3.177 50 0 CGAARO CCS[C@H]1CC[C@@]1(O)C[NH2+]CC1CCC(C)CC1 ZINC000170591154 346193914 /nfs/dbraw/zinc/19/39/14/346193914.db2.gz DTHXYFOFIHKZSV-PFSRBDOWSA-N 1 0 271.470 3.049 50 0 CGAARO Fc1cc2cccnc2c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247538583 346370871 /nfs/dbraw/zinc/37/08/71/346370871.db2.gz RJMSVVYXNVMRQA-KRWDZBQOSA-N 1 0 299.393 3.044 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1 ZINC000249626744 346382757 /nfs/dbraw/zinc/38/27/57/346382757.db2.gz UELHZBBJIYDFML-RRQGHBQHSA-N 1 0 285.391 3.423 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC000257365868 346400760 /nfs/dbraw/zinc/40/07/60/346400760.db2.gz XKEAKWFAOUVJFU-JKSUJKDBSA-N 1 0 278.440 3.042 50 0 CGAARO c1ccc2ncc(C[NH2+][C@H]3CCCSC3)cc2c1 ZINC000310575078 346471137 /nfs/dbraw/zinc/47/11/37/346471137.db2.gz KCFUXCLTHGJOBQ-AWEZNQCLSA-N 1 0 258.390 3.220 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+]C1CCOCC1 ZINC000584890928 346722179 /nfs/dbraw/zinc/72/21/79/346722179.db2.gz AUWUJBIMCXEKCL-UHFFFAOYSA-N 1 0 292.810 3.441 50 0 CGAARO Cc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000584904461 346723779 /nfs/dbraw/zinc/72/37/79/346723779.db2.gz WCXIOQLYGANTRZ-KSSFIOAISA-N 1 0 296.370 3.261 50 0 CGAARO Cn1cc([C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)cn1 ZINC000128485500 187373594 /nfs/dbraw/zinc/37/35/94/187373594.db2.gz DUKJZPWCENJNAN-XYBNCVKDSA-N 1 0 285.366 3.062 50 0 CGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000086279324 179262705 /nfs/dbraw/zinc/26/27/05/179262705.db2.gz ZRMAPVGTFLDUOE-CQSZACIVSA-N 1 0 294.402 3.370 50 0 CGAARO Cc1ccccc1Cc1nnc(C[NH2+][C@H](C)C(C)(C)C)o1 ZINC000128835479 187393544 /nfs/dbraw/zinc/39/35/44/187393544.db2.gz VNIGVTCBIVJJBI-CYBMUJFWSA-N 1 0 287.407 3.493 50 0 CGAARO CCC[C@H]1CN(C(=O)c2cccc(-c3ccco3)c2)C[C@@H]1[NH3+] ZINC000091587185 180200537 /nfs/dbraw/zinc/20/05/37/180200537.db2.gz UDBBLOIIHOTOKK-HOTGVXAUSA-N 1 0 298.386 3.146 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(CC)o1 ZINC000091762438 180247860 /nfs/dbraw/zinc/24/78/60/180247860.db2.gz JJNYPYYIAZLHHT-UHFFFAOYSA-N 1 0 272.348 3.204 50 0 CGAARO CCC[C@]1(CO)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000091876428 180278912 /nfs/dbraw/zinc/27/89/12/180278912.db2.gz KVDKWHDXCHJZTR-LBPRGKRZSA-N 1 0 267.335 3.204 50 0 CGAARO c1ccc(COCC[C@@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676816 188662099 /nfs/dbraw/zinc/66/20/99/188662099.db2.gz AFRPXJAQHDRRBX-MRXNPFEDSA-N 1 0 289.419 3.142 50 0 CGAARO COC1([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)CCCC1 ZINC000421829381 235868567 /nfs/dbraw/zinc/86/85/67/235868567.db2.gz HSCIZTNQKBXRGL-NVXWUHKLSA-N 1 0 291.435 3.090 50 0 CGAARO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000182196621 189316758 /nfs/dbraw/zinc/31/67/58/189316758.db2.gz YZNLJQARCMYFDB-GFCCVEGCSA-N 1 0 287.407 3.101 50 0 CGAARO CCCc1csc(C[NH2+]C[C@H]2COc3ccccc32)n1 ZINC000342459349 216358247 /nfs/dbraw/zinc/35/82/47/216358247.db2.gz YGHFJKNCCIAOGK-LBPRGKRZSA-N 1 0 288.416 3.361 50 0 CGAARO CCOc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000000200604 368314617 /nfs/dbraw/zinc/31/46/17/368314617.db2.gz QZWCGRVBYUHVKQ-UHFFFAOYSA-N 1 0 270.376 3.155 50 0 CGAARO CN(C/C(Cl)=C/c1ccccc1)C1CC[NH+](C)CC1 ZINC000000218836 368318310 /nfs/dbraw/zinc/31/83/10/368318310.db2.gz MEZHOKWEUJBGCF-QINSGFPZSA-N 1 0 278.827 3.292 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000000239757 368321342 /nfs/dbraw/zinc/32/13/42/368321342.db2.gz IYEMTLQFPAALIQ-ZDUSSCGKSA-N 1 0 281.783 3.115 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000000236919 368321715 /nfs/dbraw/zinc/32/17/15/368321715.db2.gz BAPJBXNYFMRBNC-AWEZNQCLSA-N 1 0 293.432 3.184 50 0 CGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000000237563 368322048 /nfs/dbraw/zinc/32/20/48/368322048.db2.gz QGQLKOUZWNKRDE-QGZVFWFLSA-N 1 0 288.435 3.075 50 0 CGAARO COc1ccc2ccccc2c1C[NH+]1CCSCC1 ZINC000000183157 368310820 /nfs/dbraw/zinc/31/08/20/368310820.db2.gz CTANMUUMVKQBQS-UHFFFAOYSA-N 1 0 273.401 3.397 50 0 CGAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000000253810 368325315 /nfs/dbraw/zinc/32/53/15/368325315.db2.gz LJACRDNWPDYOBI-GFCCVEGCSA-N 1 0 280.799 3.401 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000000250408 368325816 /nfs/dbraw/zinc/32/58/16/368325816.db2.gz UTXPRJDVJJXPDI-CYBMUJFWSA-N 1 0 295.810 3.300 50 0 CGAARO Cc1ccc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000000277220 368330279 /nfs/dbraw/zinc/33/02/79/368330279.db2.gz NZUSZLCOODYIFO-KRWDZBQOSA-N 1 0 270.420 3.473 50 0 CGAARO O=C(c1ccccc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000000300407 368335752 /nfs/dbraw/zinc/33/57/52/368335752.db2.gz GJQCANDRTQADMJ-UHFFFAOYSA-N 1 0 286.419 3.167 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)CCc1ccccc1 ZINC000000380416 368352770 /nfs/dbraw/zinc/35/27/70/368352770.db2.gz ZGFIYFUXTFLERB-HNNXBMFYSA-N 1 0 275.392 3.037 50 0 CGAARO C[C@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000389690 368355228 /nfs/dbraw/zinc/35/52/28/368355228.db2.gz IEEFFKXJADVWJO-OAHLLOKOSA-N 1 0 255.361 3.070 50 0 CGAARO C[NH+](C)CC(C)(C)Oc1ccc(Br)cc1 ZINC000000397127 368357880 /nfs/dbraw/zinc/35/78/80/368357880.db2.gz MGAXRKSYXHYIMR-UHFFFAOYSA-N 1 0 272.186 3.168 50 0 CGAARO CC(C)[NH2+]C[C@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000001381772 368407369 /nfs/dbraw/zinc/40/73/69/368407369.db2.gz SWDGCFDQVDODGO-KRWDZBQOSA-N 1 0 273.351 3.060 50 0 CGAARO FC(F)(F)c1cc(N2CCC[NH2+]CC2)c2ccccc2n1 ZINC000002243213 368449706 /nfs/dbraw/zinc/44/97/06/368449706.db2.gz WAYXOCDRUHABFK-UHFFFAOYSA-N 1 0 295.308 3.053 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2)cc1OC ZINC000001840072 368438075 /nfs/dbraw/zinc/43/80/75/368438075.db2.gz YKCAEQUWYQHAPP-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO C[NH2+]CC[C@H](Oc1ccccc1OC)c1ccccc1 ZINC000001849595 368440595 /nfs/dbraw/zinc/44/05/95/368440595.db2.gz ITJNARMNRKSWTA-HNNXBMFYSA-N 1 0 271.360 3.425 50 0 in-man CGAARO C[C@@H]1CCC[N@H+](CCCOc2ccccc2F)C1 ZINC000002823084 368479839 /nfs/dbraw/zinc/47/98/39/368479839.db2.gz DSJJIGQIXGIFED-CYBMUJFWSA-N 1 0 251.345 3.327 50 0 CGAARO Fc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002903711 368485758 /nfs/dbraw/zinc/48/57/58/368485758.db2.gz DSNJUBWVRFRXMG-UHFFFAOYSA-N 1 0 251.345 3.471 50 0 CGAARO COCC[NH2+]CCCCOc1ccc(Cl)cc1C ZINC000002932174 368485949 /nfs/dbraw/zinc/48/59/49/368485949.db2.gz HGPHTJPDQDBWRZ-UHFFFAOYSA-N 1 0 271.788 3.043 50 0 CGAARO CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000003017672 368489837 /nfs/dbraw/zinc/48/98/37/368489837.db2.gz SBZHGZSHULYZLB-UHFFFAOYSA-N 1 0 266.772 3.010 50 0 CGAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1OC(=O)c1ccccc1Cl ZINC000003901932 368523198 /nfs/dbraw/zinc/52/31/98/368523198.db2.gz LGWYXROPIZJPDW-UHIISALHSA-N 1 0 281.783 3.226 50 0 CGAARO C[NH+]1CCN(c2ccc3[nH]c(C4CCCCC4)nc3c2)CC1 ZINC000004003183 368525663 /nfs/dbraw/zinc/52/56/63/368525663.db2.gz GWGIWFDMPLCQLW-UHFFFAOYSA-N 1 0 298.434 3.362 50 0 CGAARO CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N[C@@H]3[C@@H](C)[C@H]1C[C@H]24 ZINC000004000041 368526264 /nfs/dbraw/zinc/52/62/64/368526264.db2.gz KNZUAMRYQXIWSR-KFNSLGPQSA-N 1 0 282.431 3.489 50 0 biogenic CGAARO COc1ccc2[nH]c(SCC[NH+]3CCCCC3)nc2c1 ZINC000003876545 368522065 /nfs/dbraw/zinc/52/20/65/368522065.db2.gz AJTPNHQTIIZFEC-UHFFFAOYSA-N 1 0 291.420 3.150 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1cc(Cl)ccc1Cl ZINC000004775487 368557815 /nfs/dbraw/zinc/55/78/15/368557815.db2.gz VNSQBDDWNQBJLV-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO Cc1cccc(C)c1NC(=O)[C@H](C)NC1=[NH+]CCCCC1 ZINC000004549023 368550507 /nfs/dbraw/zinc/55/05/07/368550507.db2.gz LNSRLCZIFNJNPI-AWEZNQCLSA-N 1 0 287.407 3.193 50 0 CGAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000007787563 368572699 /nfs/dbraw/zinc/57/26/99/368572699.db2.gz MTGKEHLTCATJLW-NSHDSACASA-N 1 0 280.799 3.319 50 0 CGAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006191751 368566447 /nfs/dbraw/zinc/56/64/47/368566447.db2.gz CYBHTOGIDIEHCX-BMRADRMJSA-N 1 0 293.414 3.307 50 0 CGAARO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000012387571 368611911 /nfs/dbraw/zinc/61/19/11/368611911.db2.gz HBPRDZOYFQBUTM-NRMGUKERSA-N 1 0 298.430 3.034 50 0 CGAARO c1nn(-c2ccccc2)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000012485746 368614343 /nfs/dbraw/zinc/61/43/43/368614343.db2.gz OEOZIUZEPBJNCU-UHFFFAOYSA-N 1 0 289.382 3.431 50 0 CGAARO c1csc(-c2n[nH]cc2C[NH2+]CCOc2ccccc2)c1 ZINC000012529354 368617220 /nfs/dbraw/zinc/61/72/20/368617220.db2.gz JDFXBXVQHNHRRW-UHFFFAOYSA-N 1 0 299.399 3.307 50 0 CGAARO Nc1[nH+]c2ccccc2n1CCCOc1ccccc1 ZINC000012628261 368622915 /nfs/dbraw/zinc/62/29/15/368622915.db2.gz REMACFWADMEZGZ-UHFFFAOYSA-N 1 0 267.332 3.088 50 0 CGAARO Cc1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000014631527 368682701 /nfs/dbraw/zinc/68/27/01/368682701.db2.gz UDNCXQRLVMYALQ-UHFFFAOYSA-N 1 0 284.197 3.136 50 0 CGAARO c1ccc(Cc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631766 368684264 /nfs/dbraw/zinc/68/42/64/368684264.db2.gz OIWXGWDXIVFCBN-SFHVURJKSA-N 1 0 267.372 3.408 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000014988060 368687070 /nfs/dbraw/zinc/68/70/70/368687070.db2.gz JBZDLPNNZKUPTD-UHFFFAOYSA-N 1 0 266.344 3.466 50 0 CGAARO COc1cc(C[N@@H+]2CCc3ccccc3C2)cc(OC)c1 ZINC000019606985 368758258 /nfs/dbraw/zinc/75/82/58/368758258.db2.gz HUHZWTFZMGPNTP-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO Cc1cc(OCCCC[NH+]2CCOCC2)cc(C)c1Cl ZINC000019721077 368761792 /nfs/dbraw/zinc/76/17/92/368761792.db2.gz WZJDZJCKDQCXKI-UHFFFAOYSA-N 1 0 297.826 3.448 50 0 CGAARO CC[NH+]1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000019792249 368767340 /nfs/dbraw/zinc/76/73/40/368767340.db2.gz OHORYZYOOMPTAR-UHFFFAOYSA-N 1 0 293.461 3.009 50 0 CGAARO CC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019536731 368756762 /nfs/dbraw/zinc/75/67/62/368756762.db2.gz YULNMBFZXTUABF-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC=CCC1 ZINC000024643513 368832819 /nfs/dbraw/zinc/83/28/19/368832819.db2.gz PLMJLAVQRISHDV-ZDUSSCGKSA-N 1 0 258.365 3.043 50 0 CGAARO CCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581904 368872520 /nfs/dbraw/zinc/87/25/20/368872520.db2.gz KGCRIDIDLXCDKN-KRWDZBQOSA-N 1 0 288.435 3.438 50 0 CGAARO COc1ccc(C)cc1CC[NH2+]Cc1csc(C)n1 ZINC000025638998 368850762 /nfs/dbraw/zinc/85/07/62/368850762.db2.gz KDELGCGQYIPYFF-UHFFFAOYSA-N 1 0 276.405 3.101 50 0 CGAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000032721274 368941419 /nfs/dbraw/zinc/94/14/19/368941419.db2.gz VDVOFKHPTSEWSC-AWEZNQCLSA-N 1 0 292.448 3.191 50 0 CGAARO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000032851010 368948510 /nfs/dbraw/zinc/94/85/10/368948510.db2.gz MUXYFWYYDQWLOH-QGZVFWFLSA-N 1 0 282.387 3.417 50 0 CGAARO COc1ccc(CNc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000037139666 369066753 /nfs/dbraw/zinc/06/67/53/369066753.db2.gz UZUCXVCYUSTPBB-UHFFFAOYSA-N 1 0 267.332 3.492 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1ccc2ccccc2c1 ZINC000041590418 369191845 /nfs/dbraw/zinc/19/18/45/369191845.db2.gz HHWSVZVNTBSEEK-UHFFFAOYSA-N 1 0 284.403 3.302 50 0 CGAARO CCC(C)(C)c1ccc(OC2C[NH2+]C2)c(Br)c1 ZINC000042769643 369231051 /nfs/dbraw/zinc/23/10/51/369231051.db2.gz HHEPWFRXFVFYJQ-UHFFFAOYSA-N 1 0 298.224 3.487 50 0 CGAARO CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCCC1 ZINC000044950435 369272067 /nfs/dbraw/zinc/27/20/67/369272067.db2.gz HZMZHYRXGUFFJP-UHFFFAOYSA-N 1 0 261.325 3.094 50 0 CGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000049075894 369385975 /nfs/dbraw/zinc/38/59/75/369385975.db2.gz KEHDOGOPGVAGGF-UHFFFAOYSA-N 1 0 294.464 3.251 50 0 CGAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000048784907 369369296 /nfs/dbraw/zinc/36/92/96/369369296.db2.gz KJJWHRKCALLPJI-UHFFFAOYSA-N 1 0 287.363 3.099 50 0 CGAARO CC(C)C[C@@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000049592659 369412441 /nfs/dbraw/zinc/41/24/41/369412441.db2.gz CLCIIOFBOZXTQI-ZDUSSCGKSA-N 1 0 263.406 3.398 50 0 CGAARO C[N@@H+](Cc1cc(Cl)cc2c1OCOC2)CC1CC1 ZINC000052106401 369463878 /nfs/dbraw/zinc/46/38/78/369463878.db2.gz PAOFSJNMANHRSV-UHFFFAOYSA-N 1 0 267.756 3.048 50 0 CGAARO OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127693372 370956174 /nfs/dbraw/zinc/95/61/74/370956174.db2.gz PPZRJXYNGINODQ-FDYHWXHSSA-N 1 0 279.346 3.248 50 0 CGAARO O=C1NCCCC[C@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000054174492 369497476 /nfs/dbraw/zinc/49/74/76/369497476.db2.gz SNJITMBCTUIDRS-GOSISDBHSA-N 1 0 294.398 3.112 50 0 CGAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000057392081 369537298 /nfs/dbraw/zinc/53/72/98/369537298.db2.gz ZFHXZHJKHYIVBA-KBPBESRZSA-N 1 0 298.386 3.373 50 0 CGAARO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000058173403 369556650 /nfs/dbraw/zinc/55/66/50/369556650.db2.gz KJVNTWUKOMVWJD-QGZVFWFLSA-N 1 0 286.419 3.111 50 0 CGAARO Clc1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000058406223 369566897 /nfs/dbraw/zinc/56/68/97/369566897.db2.gz AEPURTYYGQRTDK-UHFFFAOYSA-N 1 0 264.800 3.010 50 0 CGAARO Cc1ccsc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000065376414 369670447 /nfs/dbraw/zinc/67/04/47/369670447.db2.gz UDJCYHXCRIPPHN-LBPRGKRZSA-N 1 0 251.395 3.057 50 0 CGAARO CCCO[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000065386450 369670519 /nfs/dbraw/zinc/67/05/19/369670519.db2.gz INWVMTAMIHFZOJ-KRWDZBQOSA-N 1 0 290.407 3.036 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCN[C@@]23CCC[C@@H](C)C3)cc1 ZINC000064459871 369652930 /nfs/dbraw/zinc/65/29/30/369652930.db2.gz FRWYTSJFCDSONF-VQIMIIECSA-N 1 0 299.462 3.425 50 0 biogenic CGAARO COc1c(C)cnc(C[NH+]2CCC(n3cccc3)CC2)c1C ZINC000067227382 369714174 /nfs/dbraw/zinc/71/41/74/369714174.db2.gz HGQOEBXPSAYUDN-UHFFFAOYSA-N 1 0 299.418 3.346 50 0 CGAARO Cc1sc2ncnc(NCC[C@H]3CCC[N@H+]3C)c2c1C ZINC000065393734 369672259 /nfs/dbraw/zinc/67/22/59/369672259.db2.gz XWOUPZVAWZATSH-GFCCVEGCSA-N 1 0 290.436 3.204 50 0 CGAARO C[N@H+](CCc1ccccc1)Cc1ccc(Cl)nc1 ZINC000065396573 369672577 /nfs/dbraw/zinc/67/25/77/369672577.db2.gz UMKINMOIPJIZQU-UHFFFAOYSA-N 1 0 260.768 3.410 50 0 CGAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065405109 369673933 /nfs/dbraw/zinc/67/39/33/369673933.db2.gz DSIGDMXGDKVQSA-CQSZACIVSA-N 1 0 282.387 3.080 50 0 CGAARO C/C=C(\C)C[N@H+]1CC[C@H](c2cc(OC)ccc2OC)C1 ZINC000065452935 369677604 /nfs/dbraw/zinc/67/76/04/369677604.db2.gz RYLBOMBMOILHHT-GUVYXZIWSA-N 1 0 275.392 3.459 50 0 CGAARO c1ccc([C@H]2CCC[N@@H+]2C2CSCCSC2)nc1 ZINC000065493522 369678721 /nfs/dbraw/zinc/67/87/21/369678721.db2.gz ZGIHQIXGTZRUGR-CQSZACIVSA-N 1 0 280.462 3.067 50 0 CGAARO Fc1cccc(COCc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000066323496 369692913 /nfs/dbraw/zinc/69/29/13/369692913.db2.gz TVZSOAADKNLTST-UHFFFAOYSA-N 1 0 287.334 3.025 50 0 CGAARO CCSC[C@H](C)NCc1nc(-c2ccccc2C)no1 ZINC000067965514 369737160 /nfs/dbraw/zinc/73/71/60/369737160.db2.gz LDPAGGFZISWSNI-LBPRGKRZSA-N 1 0 291.420 3.276 50 0 CGAARO CCc1noc([C@H](C)N(C)CCOc2cccc(C)c2)n1 ZINC000069421419 369758988 /nfs/dbraw/zinc/75/89/88/369758988.db2.gz WQZHSRCAGUXOPN-ZDUSSCGKSA-N 1 0 289.379 3.012 50 0 CGAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc4ccccc4n3)c2O1 ZINC000067867076 369733077 /nfs/dbraw/zinc/73/30/77/369733077.db2.gz AGTLFFCREGKFPC-CQSZACIVSA-N 1 0 294.329 3.303 50 0 CGAARO CC[C@@](C)(O)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000069900997 369775063 /nfs/dbraw/zinc/77/50/63/369775063.db2.gz CTASASIWZGUNGO-OAHLLOKOSA-N 1 0 276.405 3.061 50 0 CGAARO c1cnn(C[C@H]2CCCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000069946916 369775298 /nfs/dbraw/zinc/77/52/98/369775298.db2.gz BXNVSZCYARKONE-CQSZACIVSA-N 1 0 296.374 3.079 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069894955 369775379 /nfs/dbraw/zinc/77/53/79/369775379.db2.gz FBYPWFBDWMIOBU-CVEARBPZSA-N 1 0 278.440 3.042 50 0 CGAARO c1csc(C[N@H+](Cc2ccncc2)C[C@H]2CCCO2)c1 ZINC000072980251 369846087 /nfs/dbraw/zinc/84/60/87/369846087.db2.gz PUFHXANHWKSQMD-OAHLLOKOSA-N 1 0 288.416 3.324 50 0 CGAARO Cc1noc(CCC[N@@H+](C)Cc2ccccc2Cl)n1 ZINC000078970785 369957412 /nfs/dbraw/zinc/95/74/12/369957412.db2.gz MOEFLUFXBWKMMO-UHFFFAOYSA-N 1 0 279.771 3.096 50 0 CGAARO c1cn(CC2CC2)c([C@@H]2CCC[N@H+](CC3CCC3)C2)n1 ZINC000082156322 370000107 /nfs/dbraw/zinc/00/01/07/370000107.db2.gz WBHFXVBNYAUALS-MRXNPFEDSA-N 1 0 273.424 3.273 50 0 CGAARO COc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000089361131 370040479 /nfs/dbraw/zinc/04/04/79/370040479.db2.gz FPOIBANXJWEEEM-UHFFFAOYSA-N 1 0 257.333 3.033 50 0 CGAARO Fc1ccc(/C=C/C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000092618077 370099243 /nfs/dbraw/zinc/09/92/43/370099243.db2.gz MQIFZFJJOBVIGN-HNQUOIGGSA-N 1 0 285.366 3.373 50 0 CGAARO CC(C)c1nsc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000089893699 370048598 /nfs/dbraw/zinc/04/85/98/370048598.db2.gz SCODDZKOAOOAQO-OLZOCXBDSA-N 1 0 294.468 3.113 50 0 CGAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000089948939 370052659 /nfs/dbraw/zinc/05/26/59/370052659.db2.gz ZHACFUTXNBBPCE-SJLPKXTDSA-N 1 0 288.435 3.040 50 0 CGAARO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccncc2)cc1 ZINC000095401507 370182779 /nfs/dbraw/zinc/18/27/79/370182779.db2.gz JLXZYFRLLANXGH-AWEZNQCLSA-N 1 0 270.376 3.153 50 0 CGAARO CCOC[C@H]1CCC[N@H+](Cc2ccc(OC)s2)C1 ZINC000093419576 370128190 /nfs/dbraw/zinc/12/81/90/370128190.db2.gz LJWZYZWCEZZTOC-LBPRGKRZSA-N 1 0 269.410 3.005 50 0 CGAARO Cc1nnc(C[NH2+]C2(Cc3ccccc3)CCCC2)o1 ZINC000097112692 370227065 /nfs/dbraw/zinc/22/70/65/370227065.db2.gz VARNWOFUASOROY-UHFFFAOYSA-N 1 0 271.364 3.023 50 0 CGAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203249 370232418 /nfs/dbraw/zinc/23/24/18/370232418.db2.gz HPHIBCYGRSESCC-CYBMUJFWSA-N 1 0 287.382 3.500 50 0 CGAARO Fc1cccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1F ZINC000097202934 370232538 /nfs/dbraw/zinc/23/25/38/370232538.db2.gz YSBHUVJJIJMRKZ-UHFFFAOYSA-N 1 0 277.318 3.068 50 0 CGAARO Cc1cccc(C[NH2+][C@@H](C)CSC(C)(C)C)n1 ZINC000095420621 370188126 /nfs/dbraw/zinc/18/81/26/370188126.db2.gz SEAGJIYKESNDRC-LBPRGKRZSA-N 1 0 252.427 3.400 50 0 CGAARO COc1cccc(C[NH2+][C@H]2CCCOc3cc(C)ccc32)n1 ZINC000095421894 370188826 /nfs/dbraw/zinc/18/88/26/370188826.db2.gz IHBBSXQMAAJRDB-INIZCTEOSA-N 1 0 298.386 3.402 50 0 CGAARO CCC(CC)C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000095434132 370192884 /nfs/dbraw/zinc/19/28/84/370192884.db2.gz AEJFJMXWPAQKSA-ZIAGYGMSSA-N 1 0 257.443 3.067 50 0 CGAARO Cc1csc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)n1 ZINC000095448924 370194989 /nfs/dbraw/zinc/19/49/89/370194989.db2.gz NGCOQFFIYIUFAS-KOLCDFICSA-N 1 0 282.434 3.115 50 0 CGAARO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc1C(C)C ZINC000095513027 370201978 /nfs/dbraw/zinc/20/19/78/370201978.db2.gz NHJUXSJGRPQIEI-OAHLLOKOSA-N 1 0 289.423 3.286 50 0 CGAARO Cc1cccc(Cl)c1NC(=O)NCC[C@H]1CCC[N@H+]1C ZINC000095500959 370202011 /nfs/dbraw/zinc/20/20/11/370202011.db2.gz GHOMVKSCAZWGHU-GFCCVEGCSA-N 1 0 295.814 3.254 50 0 CGAARO NC(=O)c1c(F)cccc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000096180622 370206520 /nfs/dbraw/zinc/20/65/20/370206520.db2.gz RUJXRDPUAZVBOA-HNNXBMFYSA-N 1 0 284.334 3.016 50 0 CGAARO COc1ccc(C[C@H](C)[NH2+]C2CCSCC2)cc1OC ZINC000134447191 371336970 /nfs/dbraw/zinc/33/69/70/371336970.db2.gz ZDRNWLRWMNXHSS-LBPRGKRZSA-N 1 0 295.448 3.120 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000237434621 189875593 /nfs/dbraw/zinc/87/55/93/189875593.db2.gz NTLVAZRCYZKWSG-NEPJUHHUSA-N 1 0 292.810 3.002 50 0 CGAARO C1CCC2(CC1)C[C@@H]([NH2+][C@H]1CCCSC1)CCO2 ZINC000167469909 372596531 /nfs/dbraw/zinc/59/65/31/372596531.db2.gz XSBWOHONZAQMMA-KBPBESRZSA-N 1 0 269.454 3.354 50 0 CGAARO Cc1nc(N2CCC([NH2+]C3CCCC3)CC2)sc1C ZINC000170031195 372634764 /nfs/dbraw/zinc/63/47/64/372634764.db2.gz QMGCPACOQXSBCP-UHFFFAOYSA-N 1 0 279.453 3.261 50 0 CGAARO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@]1(C)CCCO1 ZINC000239762115 189902860 /nfs/dbraw/zinc/90/28/60/189902860.db2.gz CKVPOQIRZSLGGB-SUMWQHHRSA-N 1 0 272.392 3.258 50 0 CGAARO CC(C)[N@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC000002639061 169817264 /nfs/dbraw/zinc/81/72/64/169817264.db2.gz CDXKPXGHEDYFBM-KRWDZBQOSA-N 1 0 291.435 3.469 50 0 CGAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000085334393 541936210 /nfs/dbraw/zinc/93/62/10/541936210.db2.gz HOYWQDUDOWLMHA-SJLPKXTDSA-N 1 0 297.329 3.320 50 0 CGAARO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016314 541965081 /nfs/dbraw/zinc/96/50/81/541965081.db2.gz UHQBQWBQKKWCNC-AWEZNQCLSA-N 1 0 267.332 3.323 50 0 CGAARO Cc1cccc(C[n+]2cnn(Cc3ccccc3Cl)c2)c1 ZINC000252494257 189977738 /nfs/dbraw/zinc/97/77/38/189977738.db2.gz NPXJHAFXAFBYPQ-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO COc1ccc(OC)c(C[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000253425400 189991372 /nfs/dbraw/zinc/99/13/72/189991372.db2.gz TUVALARAZHOVGM-UHFFFAOYSA-N 1 0 296.370 3.475 50 0 CGAARO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000191361503 375616067 /nfs/dbraw/zinc/61/60/67/375616067.db2.gz ASPINFYSJIKKTD-APHBMKBZSA-N 1 0 285.391 3.440 50 0 CGAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cncnc1 ZINC000191723881 375655917 /nfs/dbraw/zinc/65/59/17/375655917.db2.gz IOLWSOXLDMCWDU-LBPRGKRZSA-N 1 0 267.332 3.382 50 0 CGAARO CC[C@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CCCO1 ZINC000191486491 375632713 /nfs/dbraw/zinc/63/27/13/375632713.db2.gz OSUQLHSUGOLRDF-WDEREUQCSA-N 1 0 288.185 3.089 50 0 CGAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000121428048 542018842 /nfs/dbraw/zinc/01/88/42/542018842.db2.gz FQUDEDIEMFPGMB-SCRDCRAPSA-N 1 0 265.422 3.266 50 0 CGAARO Cc1ccc(-c2ccc(CN3CCC[C@@H]([NH3+])C3)cc2)o1 ZINC000214964939 376144516 /nfs/dbraw/zinc/14/45/16/376144516.db2.gz SVNZAYULCDPDLR-MRXNPFEDSA-N 1 0 270.376 3.178 50 0 CGAARO Cc1[nH]c2c(cccc2CN2CC([NH+]3CCCCC3)C2)c1C ZINC000215965924 376155106 /nfs/dbraw/zinc/15/51/06/376155106.db2.gz JYUGCGFVRSMLSW-UHFFFAOYSA-N 1 0 297.446 3.455 50 0 CGAARO Cc1nc(CC2CC[NH+](C[C@H](C)c3ccccc3)CC2)no1 ZINC000216395667 376164211 /nfs/dbraw/zinc/16/42/11/376164211.db2.gz ZJSIXWGINBVFMZ-AWEZNQCLSA-N 1 0 299.418 3.436 50 0 CGAARO CCc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000222052735 376227634 /nfs/dbraw/zinc/22/76/34/376227634.db2.gz DWYCIHQFZYDWAR-LBPRGKRZSA-N 1 0 271.408 3.450 50 0 CGAARO Cc1nc2ccccn2c1C[NH+]1CCCCCCC1 ZINC000223516861 376255702 /nfs/dbraw/zinc/25/57/02/376255702.db2.gz DDLYBILBORZPGA-UHFFFAOYSA-N 1 0 257.381 3.409 50 0 CGAARO C[C@@H]([NH2+]CCCCC(C)(C)C)C(C)(C)n1cncn1 ZINC000225407917 376307683 /nfs/dbraw/zinc/30/76/83/376307683.db2.gz IEQPNPHOGRDUJU-CYBMUJFWSA-N 1 0 266.433 3.208 50 0 CGAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225462340 376311574 /nfs/dbraw/zinc/31/15/74/376311574.db2.gz TVDXQBIWMQYHGR-MNOVXSKESA-N 1 0 271.763 3.072 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCOC2)o1 ZINC000225501842 376314444 /nfs/dbraw/zinc/31/44/44/376314444.db2.gz HCGQBJBJNPYKMN-GFCCVEGCSA-N 1 0 275.323 3.273 50 0 CGAARO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000225323776 376303452 /nfs/dbraw/zinc/30/34/52/376303452.db2.gz ZHRJSLVJPPCYLS-BBRMVZONSA-N 1 0 278.827 3.399 50 0 CGAARO CC(C)N1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000239386685 376773877 /nfs/dbraw/zinc/77/38/77/376773877.db2.gz PZEZSOQEPIUOAT-JKSUJKDBSA-N 1 0 250.430 3.124 50 0 CGAARO C[C@@H]1CC[C@H]([NH2+]CCc2nc(-c3ccco3)n[nH]2)C[C@H]1C ZINC000239475412 376774962 /nfs/dbraw/zinc/77/49/62/376774962.db2.gz AOBJMBPFWZCSOA-UPJWGTAASA-N 1 0 288.395 3.022 50 0 CGAARO c1ccc(COC2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000244719094 376795002 /nfs/dbraw/zinc/79/50/02/376795002.db2.gz LWRXSGWPPGUFIK-QGZVFWFLSA-N 1 0 289.419 3.094 50 0 CGAARO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245462326 376823266 /nfs/dbraw/zinc/82/32/66/376823266.db2.gz GIVMPZZZWOKYDS-QWHCGFSZSA-N 1 0 280.412 3.392 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000252488038 377630086 /nfs/dbraw/zinc/63/00/86/377630086.db2.gz IHSOWLNLDATCGU-OUCADQQQSA-N 1 0 279.453 3.061 50 0 CGAARO [NH3+]Cc1cccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000252508762 377635305 /nfs/dbraw/zinc/63/53/05/377635305.db2.gz XSYNXQWNXNTIIL-KRWDZBQOSA-N 1 0 298.361 3.092 50 0 CGAARO CC[N@H+](C)C[C@@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000252509598 377636238 /nfs/dbraw/zinc/63/62/38/377636238.db2.gz YREBKURGCXNTJY-JTQLQIEISA-N 1 0 288.222 3.166 50 0 CGAARO Cc1cc(C[NH2+]C(C)(C)COCc2ccccc2)on1 ZINC000253397387 377689036 /nfs/dbraw/zinc/68/90/36/377689036.db2.gz SOPFPFFMOOBTSV-UHFFFAOYSA-N 1 0 274.364 3.068 50 0 CGAARO CCOC[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000255316894 377750076 /nfs/dbraw/zinc/75/00/76/377750076.db2.gz RMCNNUXQNVDKJA-JZIMQPMSSA-N 1 0 263.356 3.197 50 0 CGAARO [NH3+]C[C@H](Nc1ccnc(C(F)(F)F)c1)C1CCCCC1 ZINC000261825531 377857725 /nfs/dbraw/zinc/85/77/25/377857725.db2.gz UFVRGXZAOSDCND-LBPRGKRZSA-N 1 0 287.329 3.420 50 0 CGAARO CCn1nc(C[NH2+][C@@H](C)CC(C)(C)OC)c2ccccc21 ZINC000274380832 378822782 /nfs/dbraw/zinc/82/27/82/378822782.db2.gz AICFDUGYQFYWML-ZDUSSCGKSA-N 1 0 289.423 3.349 50 0 CGAARO c1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000186898 169568444 /nfs/dbraw/zinc/56/84/44/169568444.db2.gz VUVONONNFCOAPX-UHFFFAOYSA-N 1 0 263.344 3.273 50 0 CGAARO CC[NH+](CC)CCNc1c2c(C)[nH]nc2nc2ccccc21 ZINC000000392090 169628102 /nfs/dbraw/zinc/62/81/02/169628102.db2.gz ICTYANBERFQKFX-UHFFFAOYSA-N 1 0 297.406 3.173 50 0 CGAARO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1OC ZINC000096467620 533171665 /nfs/dbraw/zinc/17/16/65/533171665.db2.gz BOVOPSGMBBPSKS-WCQYABFASA-N 1 0 281.421 3.250 50 0 CGAARO Cc1ccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)o1 ZINC000093442436 184675407 /nfs/dbraw/zinc/67/54/07/184675407.db2.gz GMSHORGBRBPJFL-INIZCTEOSA-N 1 0 259.349 3.144 50 0 CGAARO Cc1cccc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)c1C ZINC000095989196 256882190 /nfs/dbraw/zinc/88/21/90/256882190.db2.gz NSWQEGAOMMSMHK-QGZVFWFLSA-N 1 0 289.419 3.469 50 0 CGAARO COC[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000019904668 285353231 /nfs/dbraw/zinc/35/32/31/285353231.db2.gz KPLLOIJIJGFZDU-UWVGGRQHSA-N 1 0 272.186 3.135 50 0 CGAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccs2)nc1 ZINC000095422398 184977085 /nfs/dbraw/zinc/97/70/85/184977085.db2.gz IVQNVTGEKRHTJG-LBPRGKRZSA-N 1 0 289.404 3.131 50 0 CGAARO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000095423187 184977665 /nfs/dbraw/zinc/97/76/65/184977665.db2.gz RNLIQYKSXKSMAI-MRXNPFEDSA-N 1 0 288.435 3.099 50 0 CGAARO O=C1C[C@@H](C[NH2+]C[C@H]2CC=CCC2)c2ccccc2N1 ZINC000095434083 184983945 /nfs/dbraw/zinc/98/39/45/184983945.db2.gz ZMPKQNWLTHTOIK-KBPBESRZSA-N 1 0 270.376 3.058 50 0 CGAARO CC(C)(C)c1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000003315110 391917695 /nfs/dbraw/zinc/91/76/95/391917695.db2.gz JVOJGFQTCFXCKQ-CQSZACIVSA-N 1 0 277.408 3.132 50 0 CGAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccccc1 ZINC000022092714 391943731 /nfs/dbraw/zinc/94/37/31/391943731.db2.gz GGTJVEKHYYSQSH-CQSZACIVSA-N 1 0 289.404 3.069 50 0 CGAARO CC(C)[C@H]([NH2+]CC(=O)Nc1nccs1)c1ccccc1 ZINC000022092719 391943885 /nfs/dbraw/zinc/94/38/85/391943885.db2.gz GGTJVEKHYYSQSH-AWEZNQCLSA-N 1 0 289.404 3.069 50 0 CGAARO CC(C)(C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000022174706 391944558 /nfs/dbraw/zinc/94/45/58/391944558.db2.gz RYUJYSPVQPBQCY-UHFFFAOYSA-N 1 0 260.150 3.476 50 0 CGAARO NC(=O)c1c(F)cccc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000096180623 392245375 /nfs/dbraw/zinc/24/53/75/392245375.db2.gz RUJXRDPUAZVBOA-OAHLLOKOSA-N 1 0 284.334 3.016 50 0 CGAARO c1ccc(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000328592700 392675575 /nfs/dbraw/zinc/67/55/75/392675575.db2.gz BJGIUIJVYKIXKU-KFWWJZLASA-N 1 0 279.474 3.198 50 0 CGAARO Cc1ccc([C@@](C)(O)C[NH2+][C@@H]2CCCc3occc32)o1 ZINC000192900251 392864171 /nfs/dbraw/zinc/86/41/71/392864171.db2.gz UUAQQNPGXPIJDT-CJNGLKHVSA-N 1 0 275.348 3.056 50 0 CGAARO C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cccc2cnccc21 ZINC000215519049 392987490 /nfs/dbraw/zinc/98/74/90/392987490.db2.gz WTOCGPZZMXMERJ-UHFFFAOYSA-N 1 0 285.435 3.254 50 0 CGAARO Cc1nccn1CC1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC000215429130 392987776 /nfs/dbraw/zinc/98/77/76/392987776.db2.gz IGNNBHMICWCGEL-LLVKDONJSA-N 1 0 289.345 3.102 50 0 CGAARO Cc1cccc([C@H]2CCC[N@@H+](Cc3cncn3C)C2)c1 ZINC000216532696 392990707 /nfs/dbraw/zinc/99/07/07/392990707.db2.gz DLFYRDUPPQQGHF-INIZCTEOSA-N 1 0 269.392 3.108 50 0 CGAARO C[C@]1([NH2+]Cc2ccc(CO)o2)CCCc2ccccc21 ZINC000547288144 393103243 /nfs/dbraw/zinc/10/32/43/393103243.db2.gz CEAZTRGCVCLMHK-KRWDZBQOSA-N 1 0 271.360 3.113 50 0 CGAARO c1ccc2c(c1)Sc1ccccc1C2N1CC[NH2+]CC1 ZINC000019850295 285523814 /nfs/dbraw/zinc/52/38/14/285523814.db2.gz CUXSJLSLVOMBMO-UHFFFAOYSA-N 1 0 282.412 3.146 50 0 CGAARO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000585090411 542768629 /nfs/dbraw/zinc/76/86/29/542768629.db2.gz LNIVRDRYEKANSY-CVEARBPZSA-N 1 0 295.448 3.149 50 0 CGAARO COc1ccc(F)c(C[NH2+][C@@](C)(CO)C2CCCCC2)c1 ZINC000585085895 542768860 /nfs/dbraw/zinc/76/88/60/542768860.db2.gz MPUYLPRHQYTZSI-KRWDZBQOSA-N 1 0 295.398 3.255 50 0 CGAARO FC1(F)C[C@H]1CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670438612 543154534 /nfs/dbraw/zinc/15/45/34/543154534.db2.gz RNAKISIABBDHMG-CQSZACIVSA-N 1 0 280.362 3.244 50 0 CGAARO O[C@@H]1CCC[N@H+](Cc2cccc(F)c2C(F)(F)F)CC1 ZINC000670443492 543154628 /nfs/dbraw/zinc/15/46/28/543154628.db2.gz HCAVMJJNMFGAOP-LLVKDONJSA-N 1 0 291.288 3.191 50 0 CGAARO Cc1ccc([C@@H](C)CC[N@H+](C)CC2(C)COC2)o1 ZINC000670437218 543154774 /nfs/dbraw/zinc/15/47/74/543154774.db2.gz DZEFQPWFVKQNEJ-LBPRGKRZSA-N 1 0 251.370 3.050 50 0 CGAARO Cc1[nH]nc2c1CN(Cc1cc3cc(C)ccc3n1C)CC2 ZINC000670452522 543155657 /nfs/dbraw/zinc/15/56/57/543155657.db2.gz DCGZQMORMXTSRI-UHFFFAOYSA-N 1 0 294.402 3.077 50 0 CGAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC000670449198 543155947 /nfs/dbraw/zinc/15/59/47/543155947.db2.gz NFNAEPRINKYWBN-VIFPVBQESA-N 1 0 285.269 3.167 50 0 CGAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3nnc[nH]3)CC2)o1 ZINC000670448738 543155968 /nfs/dbraw/zinc/15/59/68/543155968.db2.gz YOYDBWNYKPWCOL-GFCCVEGCSA-N 1 0 288.395 3.079 50 0 CGAARO C[N@H+](CCCn1cccn1)Cc1ccc2cccc(F)c2n1 ZINC000670449167 543155224 /nfs/dbraw/zinc/15/52/24/543155224.db2.gz UUSLAWLFPVBCJK-UHFFFAOYSA-N 1 0 298.365 3.093 50 0 CGAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000000000633 296536264 /nfs/dbraw/zinc/53/62/64/296536264.db2.gz XSWHNYGMWWVAIE-KRWDZBQOSA-N 1 0 267.372 3.065 50 0 world CGAARO COc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CC1(F)F)C2 ZINC000670458309 543156641 /nfs/dbraw/zinc/15/66/41/543156641.db2.gz UGLCBRONMNBTNE-CYBMUJFWSA-N 1 0 267.319 3.099 50 0 CGAARO Cc1ccc(NC(=O)NCCC[NH+]2CC=CC2)cc1Cl ZINC000101445266 397644923 /nfs/dbraw/zinc/64/49/23/397644923.db2.gz GMIMFDWSLHYFRI-UHFFFAOYSA-N 1 0 293.798 3.032 50 0 CGAARO c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000090453702 165236407 /nfs/dbraw/zinc/23/64/07/165236407.db2.gz LGQCTESZNAVOTH-DOMZBBRYSA-N 1 0 285.416 3.094 50 0 CGAARO Cc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000004745767 170010113 /nfs/dbraw/zinc/01/01/13/170010113.db2.gz VQCNGXUFCWWOBW-UHFFFAOYSA-N 1 0 258.409 3.055 50 0 CGAARO Cc1cccc(NC(=O)C[NH2+]Cc2cccs2)c1C ZINC000004896653 170037457 /nfs/dbraw/zinc/03/74/57/170037457.db2.gz FAFVDPBTZGTMOM-UHFFFAOYSA-N 1 0 274.389 3.093 50 0 CGAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000004899495 170038134 /nfs/dbraw/zinc/03/81/34/170038134.db2.gz CEZPKIGJZWWHJT-NHYWBVRUSA-N 1 0 256.349 3.152 50 0 in-vitro CGAARO COc1ccc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000004942830 170043268 /nfs/dbraw/zinc/04/32/68/170043268.db2.gz DTICDONLWJAVQQ-UHFFFAOYSA-N 1 0 262.740 3.033 50 0 CGAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000004942996 170043597 /nfs/dbraw/zinc/04/35/97/170043597.db2.gz TYRUYFLGDDXNES-LLVKDONJSA-N 1 0 257.333 3.252 50 0 CGAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000005528862 170109072 /nfs/dbraw/zinc/10/90/72/170109072.db2.gz IDYBAJHUOOKQIE-OLZOCXBDSA-N 1 0 270.376 3.471 50 0 CGAARO CC[NH+](CC)CCC[C@H](C)NC(=O)NC1CCCCC1 ZINC000005591589 170117119 /nfs/dbraw/zinc/11/71/19/170117119.db2.gz YEQZUGWOEXKKRH-AWEZNQCLSA-N 1 0 283.460 3.129 50 0 CGAARO CCCC[N@H+](C[C@H](O)COCc1ccccc1)[C@H](C)CC ZINC000006480749 170204127 /nfs/dbraw/zinc/20/41/27/170204127.db2.gz ZQJUMELBXTUJIN-AEFFLSMTSA-N 1 0 293.451 3.465 50 0 CGAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(F)cc1 ZINC000006645717 170222003 /nfs/dbraw/zinc/22/20/03/170222003.db2.gz GUIUMNCGDSRFHX-CQSZACIVSA-N 1 0 254.308 3.398 50 0 CGAARO Cn1cc(/C=C/c2cc[n+](C)cc2)c2cc(F)ccc21 ZINC000006719041 170232136 /nfs/dbraw/zinc/23/21/36/170232136.db2.gz LBPZWJUOVZVDCM-UHFFFAOYSA-N 1 0 267.327 3.312 50 0 CGAARO CC[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000007964205 170309854 /nfs/dbraw/zinc/30/98/54/170309854.db2.gz BGTXEBPSEFPNFV-UHFFFAOYSA-N 1 0 282.387 3.054 50 0 CGAARO Cc1[nH]c2ccccc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008700823 170346785 /nfs/dbraw/zinc/34/67/85/170346785.db2.gz CDQDRPNWRSZQLX-UHFFFAOYSA-N 1 0 270.376 3.481 50 0 CGAARO Fc1ccccc1OCCSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000009513727 170380020 /nfs/dbraw/zinc/38/00/20/170380020.db2.gz RAVWGPCATNEYIP-STQMWFEESA-N 1 0 294.395 3.208 50 0 CGAARO CSc1cccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000009997133 170393549 /nfs/dbraw/zinc/39/35/49/170393549.db2.gz MLRMXHDSZBUODE-STQMWFEESA-N 1 0 292.448 3.325 50 0 CGAARO CCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000016580775 170703252 /nfs/dbraw/zinc/70/32/52/170703252.db2.gz ZOBUICHEHFFEDO-UHFFFAOYSA-N 1 0 288.435 3.152 50 0 CGAARO CC(C)C[C@H](CNCc1ccc(F)cc1F)[NH+](C)C ZINC000020201098 171064619 /nfs/dbraw/zinc/06/46/19/171064619.db2.gz ZKIWUEKNXPFCBX-CQSZACIVSA-N 1 0 270.367 3.031 50 0 CGAARO C[C@H](COc1cccc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000020358219 171157549 /nfs/dbraw/zinc/15/75/49/171157549.db2.gz UZAKPJWEDZHORJ-INIZCTEOSA-N 1 0 298.430 3.102 50 0 CGAARO C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000020390161 171178989 /nfs/dbraw/zinc/17/89/89/171178989.db2.gz QVDSOGCQKCOFOW-OAHLLOKOSA-N 1 0 279.383 3.463 50 0 CGAARO COc1ccc2nc(NCC3CC[NH+](C)CC3)sc2c1 ZINC000020481892 171222360 /nfs/dbraw/zinc/22/23/60/171222360.db2.gz VXKMOSJFDOSJMF-UHFFFAOYSA-N 1 0 291.420 3.059 50 0 CGAARO CN1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000020652868 171269055 /nfs/dbraw/zinc/26/90/55/171269055.db2.gz ZAWMMJUBILHBBP-UHFFFAOYSA-N 1 0 290.451 3.000 50 0 CGAARO CC[N@H+](CCO)CCc1ccc(-c2ccccc2)cc1 ZINC000020775304 171272086 /nfs/dbraw/zinc/27/20/86/171272086.db2.gz XLOCENXOYJQOBN-UHFFFAOYSA-N 1 0 269.388 3.210 50 0 CGAARO CCC1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000021818991 171333715 /nfs/dbraw/zinc/33/37/15/171333715.db2.gz YTHYIDLBAYCQRH-UHFFFAOYSA-N 1 0 261.365 3.474 50 0 CGAARO Cc1cccc(OCCCC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000022165860 171365974 /nfs/dbraw/zinc/36/59/74/171365974.db2.gz OKFOLPXQRGGHKN-UHFFFAOYSA-N 1 0 298.386 3.251 50 0 CGAARO CC(C)N1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000022587968 171393216 /nfs/dbraw/zinc/39/32/16/171393216.db2.gz PZEZSOQEPIUOAT-CVEARBPZSA-N 1 0 250.430 3.124 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000022687793 171395781 /nfs/dbraw/zinc/39/57/81/171395781.db2.gz YZDQOPQTXAPFLB-AWEZNQCLSA-N 1 0 288.416 3.089 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000029167293 171588590 /nfs/dbraw/zinc/58/85/90/171588590.db2.gz LTNXQGHSZHOKEF-MRXNPFEDSA-N 1 0 286.375 3.093 50 0 CGAARO Cc1noc(C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)n1 ZINC000285274270 196237973 /nfs/dbraw/zinc/23/79/73/196237973.db2.gz DZUVTPNGCQGHNT-KRWDZBQOSA-N 1 0 285.391 3.322 50 0 CGAARO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000038668729 174151462 /nfs/dbraw/zinc/15/14/62/174151462.db2.gz QOYVMSBQHQYKMX-AWEZNQCLSA-N 1 0 284.403 3.263 50 0 CGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1cccc(Cl)c1 ZINC000040283560 174219287 /nfs/dbraw/zinc/21/92/87/174219287.db2.gz GLEXRQSWTSVNKB-NVXWUHKLSA-N 1 0 298.773 3.265 50 0 CGAARO CCc1[nH+]c2c(c(C)c(C)n2-c2ccccn2)c(N)c1C ZINC000040287680 174220106 /nfs/dbraw/zinc/22/01/06/174220106.db2.gz WHUHESZJLLIMIB-UHFFFAOYSA-N 1 0 280.375 3.490 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000040615113 174353810 /nfs/dbraw/zinc/35/38/10/174353810.db2.gz STELSPVIMHXYMS-HNNXBMFYSA-N 1 0 276.424 3.232 50 0 CGAARO Cc1ccoc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046375426 175396318 /nfs/dbraw/zinc/39/63/18/175396318.db2.gz WLEGKCDVEBQWCM-UHFFFAOYSA-N 1 0 298.386 3.114 50 0 CGAARO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000071892960 176291800 /nfs/dbraw/zinc/29/18/00/176291800.db2.gz SFWRFOYKLWABCR-CQSZACIVSA-N 1 0 298.386 3.414 50 0 CGAARO CNC(=O)c1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1 ZINC000071924535 176301630 /nfs/dbraw/zinc/30/16/30/176301630.db2.gz AEBLQKYCXVNZJT-NTCAYCPXSA-N 1 0 294.398 3.239 50 0 CGAARO CC(C)c1cc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)on1 ZINC000072121731 176320154 /nfs/dbraw/zinc/32/01/54/176320154.db2.gz QNNYLQLSJTWJPY-CUFDPUGPSA-N 1 0 260.381 3.276 50 0 CGAARO c1coc(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000072158713 176329613 /nfs/dbraw/zinc/32/96/13/176329613.db2.gz DCFWDURAAKSHHN-UHFFFAOYSA-N 1 0 271.360 3.461 50 0 CGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2C[C@@H]3O)o1 ZINC000072165048 176330982 /nfs/dbraw/zinc/33/09/82/176330982.db2.gz JNEKBFVXUPEGHA-SFHVURJKSA-N 1 0 297.398 3.039 50 0 CGAARO COCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072167245 176331535 /nfs/dbraw/zinc/33/15/35/176331535.db2.gz KFWMHQYBQSXJBC-HNNXBMFYSA-N 1 0 251.345 3.389 50 0 CGAARO CC[C@@H]1CN(Cc2cccc(F)c2C)CC[N@@H+]1C(C)C ZINC000072169839 176332266 /nfs/dbraw/zinc/33/22/66/176332266.db2.gz POACFCZITUWCPN-MRXNPFEDSA-N 1 0 278.415 3.439 50 0 CGAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cc(CC(C)C)n[nH]1 ZINC000077323714 177253349 /nfs/dbraw/zinc/25/33/49/177253349.db2.gz QUGFDOLXZQBDOP-KRWDZBQOSA-N 1 0 293.455 3.389 50 0 CGAARO O[C@H](CCc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000077375132 177259661 /nfs/dbraw/zinc/25/96/61/177259661.db2.gz UCWCRENWYWHGJT-LJQANCHMSA-N 1 0 296.414 3.292 50 0 CGAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000077453085 177270177 /nfs/dbraw/zinc/27/01/77/177270177.db2.gz GUSHDGIGDWDXQM-KRWDZBQOSA-N 1 0 284.407 3.031 50 0 CGAARO CC(C)c1cnc(C[NH2+][C@](C)(CO)C2CCCCC2)o1 ZINC000077656794 177291449 /nfs/dbraw/zinc/29/14/49/177291449.db2.gz NQHQUPPMDVHBBF-MRXNPFEDSA-N 1 0 280.412 3.219 50 0 CGAARO c1oc(-c2ccccc2)nc1CC[NH2+]Cc1ccncc1 ZINC000078552468 177353349 /nfs/dbraw/zinc/35/33/49/177353349.db2.gz SMDZQYVCCWYZBE-UHFFFAOYSA-N 1 0 279.343 3.069 50 0 CGAARO COc1ccc(F)c(C[N@H+](C)CCC[C@H]2CCCO2)c1 ZINC000215023406 262338575 /nfs/dbraw/zinc/33/85/75/262338575.db2.gz GNZKGWJILDJKPY-AWEZNQCLSA-N 1 0 281.371 3.225 50 0 CGAARO c1ccc(C[NH2+]CCc2cccc3c2NCCC3)cc1 ZINC000521398671 275067175 /nfs/dbraw/zinc/06/71/75/275067175.db2.gz XXFQAUAOAZAZLA-UHFFFAOYSA-N 1 0 266.388 3.377 50 0 CGAARO C(=C\c1ccccc1)\CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000229487247 275389164 /nfs/dbraw/zinc/38/91/64/275389164.db2.gz TWKKVTBGJYNBEX-OEPRFQHASA-N 1 0 270.420 3.260 50 0 CGAARO C1=CC2(CC[NH+](CCc3cn[nH]c3)CC2)c2ccccc21 ZINC000219888319 275411401 /nfs/dbraw/zinc/41/14/01/275411401.db2.gz GHWWPYURSILCIX-UHFFFAOYSA-N 1 0 279.387 3.013 50 0 CGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000004022617 276281856 /nfs/dbraw/zinc/28/18/56/276281856.db2.gz PCJMEFIZNDUAHS-KCQAQPDRSA-N 1 0 282.428 3.022 50 0 CGAARO COC(=O)N1CCC2(CCC([NH+]3CCCCC3)CC2)CC1 ZINC000067588527 277071464 /nfs/dbraw/zinc/07/14/64/277071464.db2.gz KLLPIFMULKMXBL-UHFFFAOYSA-N 1 0 294.439 3.264 50 0 CGAARO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CCCc2sccc21 ZINC000095968119 277263343 /nfs/dbraw/zinc/26/33/43/277263343.db2.gz UHISFXISRDLQGB-KZULUSFZSA-N 1 0 285.478 3.262 50 0 CGAARO COC(=O)c1ccc2c(c1)n(C)c(C)[n+]2C1CCCCC1 ZINC000000281274 277439478 /nfs/dbraw/zinc/43/94/78/277439478.db2.gz KVQDJKUXOLMTFV-UHFFFAOYSA-N 1 0 287.383 3.066 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[NH2+]CC2 ZINC000019623977 277855217 /nfs/dbraw/zinc/85/52/17/277855217.db2.gz GLXRHRXCWKOJAR-HNNXBMFYSA-N 1 0 275.373 3.000 50 0 CGAARO CC(C)c1nc(CN2CCC[C@@H]2C[NH+]2CCCC2)cs1 ZINC000066536285 278071457 /nfs/dbraw/zinc/07/14/57/278071457.db2.gz XOPBPDLUTCBSKS-OAHLLOKOSA-N 1 0 293.480 3.327 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000004094071 278509021 /nfs/dbraw/zinc/50/90/21/278509021.db2.gz RJXDBTDFBZRPHG-FLXSYLCISA-N 1 0 293.451 3.452 50 0 CGAARO C[NH+](C)[C@@H]1CC[C@H](N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000195553904 289329293 /nfs/dbraw/zinc/32/92/93/289329293.db2.gz XYLYTZVLICOVEU-SCTDSRPQSA-N 1 0 295.430 3.243 50 0 CGAARO C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000262302872 298519710 /nfs/dbraw/zinc/51/97/10/298519710.db2.gz BABMCIBXBPIBSJ-CXAGYDPISA-N 1 0 282.387 3.098 50 0 CGAARO COc1ccc2oc(C[NH2+][C@@H](C)CC(C)(C)OC)nc2c1 ZINC000534637844 328334483 /nfs/dbraw/zinc/33/44/83/328334483.db2.gz QXXOZNBFAKSEHG-NSHDSACASA-N 1 0 292.379 3.130 50 0 CGAARO Clc1ccccc1C1([NH2+][C@H]2CCSC2)CC1 ZINC000534651042 328337146 /nfs/dbraw/zinc/33/71/46/328337146.db2.gz PSAWFPZTQGJSOA-JTQLQIEISA-N 1 0 253.798 3.424 50 0 CGAARO Cc1cc(C)nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000426544578 330511629 /nfs/dbraw/zinc/51/16/29/330511629.db2.gz YPMYVDAKRLPCHS-CYBMUJFWSA-N 1 0 255.365 3.383 50 0 CGAARO C[C@@H](c1cccc(-c2cnsn2)c1)[NH+]1CCCC1 ZINC000426392713 534074067 /nfs/dbraw/zinc/07/40/67/534074067.db2.gz FHFYMZNONTUINO-NSHDSACASA-N 1 0 259.378 3.362 50 0 CGAARO CS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C1 ZINC000096441607 534115727 /nfs/dbraw/zinc/11/57/27/534115727.db2.gz RZHVIKWGYOJOCS-HOTGVXAUSA-N 1 0 292.448 3.361 50 0 CGAARO c1ccc(CC2(C[NH2+]Cc3ccccn3)CC2)cc1 ZINC000096483139 534482780 /nfs/dbraw/zinc/48/27/80/534482780.db2.gz RVKFBNWEZMEANB-UHFFFAOYSA-N 1 0 252.361 3.194 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000240707718 524193229 /nfs/dbraw/zinc/19/32/29/524193229.db2.gz HQAOOHINXZAGFN-BZUAXINKSA-N 1 0 294.483 3.439 50 0 CGAARO CCCc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000186905593 528632224 /nfs/dbraw/zinc/63/22/24/528632224.db2.gz RYWZHBYYWZOHPT-UHFFFAOYSA-N 1 0 298.434 3.147 50 0 CGAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](C[C@H]4CCCCO4)C3)nc2c1 ZINC000019742165 567211015 /nfs/dbraw/zinc/21/10/15/567211015.db2.gz RXVGRERLHAGWCA-HUUCEWRRSA-N 1 0 299.418 3.311 50 0 CGAARO Clc1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000002896416 618651315 /nfs/dbraw/zinc/65/13/15/618651315.db2.gz OBYPBOWOSFZBBL-UHFFFAOYSA-N 1 0 283.799 3.221 50 0 CGAARO c1nc(CC[NH2+]C2CCC(c3ccccc3)CC2)c[nH]1 ZINC000000221007 618857267 /nfs/dbraw/zinc/85/72/67/618857267.db2.gz JASPEYNNQRRCJN-UHFFFAOYSA-N 1 0 269.392 3.268 50 0 CGAARO C[C@]1(c2ccccc2)C[C@H](O)C[C@H](c2ccccc2)[NH2+]1 ZINC000004104275 619066288 /nfs/dbraw/zinc/06/62/88/619066288.db2.gz UIYVXTMJZHAIIU-KZNAEPCWSA-N 1 0 267.372 3.387 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2)c(F)c1 ZINC000888093240 619258126 /nfs/dbraw/zinc/25/81/26/619258126.db2.gz KWBNFDVXLALKCQ-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000184233721 625214430 /nfs/dbraw/zinc/21/44/30/625214430.db2.gz ZBUVMLBJLONKOB-LBPRGKRZSA-N 1 0 266.410 3.002 50 0 CGAARO C[C@@H](NC1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC000863982339 629721521 /nfs/dbraw/zinc/72/15/21/629721521.db2.gz DDHHUVNVUOQXRD-CYBMUJFWSA-N 1 0 285.391 3.086 50 0 CGAARO [NH3+][C@@H](CCC(F)(F)F)C1(O)CCCCCCC1 ZINC000958527510 640826979 /nfs/dbraw/zinc/82/69/79/640826979.db2.gz AXOHRKAOQONNKS-JTQLQIEISA-N 1 0 253.308 3.132 50 0 CGAARO C[C@H](CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000000279312 640921663 /nfs/dbraw/zinc/92/16/63/640921663.db2.gz QYRAWYYKHBSOFG-OAHLLOKOSA-N 1 0 260.425 3.206 50 0 CGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccoc1 ZINC000040512034 798887476 /nfs/dbraw/zinc/88/74/76/798887476.db2.gz IXYRVVJTVNEYCU-UHFFFAOYSA-N 1 0 270.332 3.128 50 0 CGAARO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)[C@@H](C)C1 ZINC000585117057 799677741 /nfs/dbraw/zinc/67/77/41/799677741.db2.gz PYYLIKYGDGJGHT-DVOMOZLQSA-N 1 0 284.403 3.442 50 0 CGAARO CC(C)(O)[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC000721872394 800303074 /nfs/dbraw/zinc/30/30/74/800303074.db2.gz HJXWNLGCGDVNGA-INIZCTEOSA-N 1 0 261.409 3.102 50 0 CGAARO CC[C@H](C(=O)NC(C)(C)c1ccc(C)cc1)[N@H+](C)CC ZINC000822549823 800461599 /nfs/dbraw/zinc/46/15/99/800461599.db2.gz XHVXBYUEIICBKO-OAHLLOKOSA-N 1 0 276.424 3.077 50 0 CGAARO CCc1nc(CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(CC)n1 ZINC000823560496 800468103 /nfs/dbraw/zinc/46/81/03/800468103.db2.gz UTPITTYWQVKDCV-LSDHHAIUSA-N 1 0 290.455 3.058 50 0 CGAARO CC[C@H]1CN(Cc2ccc(Cl)o2)CC[N@@H+]1C(C)C ZINC000952868234 800684932 /nfs/dbraw/zinc/68/49/32/800684932.db2.gz GPFWZANYODOAIQ-LBPRGKRZSA-N 1 0 270.804 3.238 50 0 CGAARO OCC[N@H+](Cc1ccc(F)cc1)Cc1cccc2cc[nH]c21 ZINC000952864362 800685048 /nfs/dbraw/zinc/68/50/48/800685048.db2.gz YOZRGOAGFCZITD-UHFFFAOYSA-N 1 0 298.361 3.302 50 0 CGAARO CC(C)(C)n1nc(-c2ccco2)nc1-c1ccc(C[NH3+])cc1 ZINC000952871799 800686241 /nfs/dbraw/zinc/68/62/41/800686241.db2.gz BRMZURHSBDAYFH-UHFFFAOYSA-N 1 0 296.374 3.419 50 0 CGAARO c1c[nH]c(CNC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000952960193 800688289 /nfs/dbraw/zinc/68/82/89/800688289.db2.gz ICIMHHVRPHMZQG-QGZVFWFLSA-N 1 0 298.434 3.117 50 0 CGAARO Cc1cnc(-c2ccncc2)n1[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000409421099 932024950 /nfs/dbraw/zinc/02/49/50/932024950.db2.gz HNVSRIZRHGHCMC-KRWDZBQOSA-N 1 0 296.418 3.443 50 0 CGAARO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc2ccccc12 ZINC000315102077 932030022 /nfs/dbraw/zinc/03/00/22/932030022.db2.gz MLSUZTBZYOVRHH-CQSZACIVSA-N 1 0 281.403 3.439 50 0 CGAARO Cc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc2ccccc12 ZINC001506401422 937989672 /nfs/dbraw/zinc/98/96/72/937989672.db2.gz RCTFNGYMNZNHKZ-HZPDHXFCSA-N 1 0 269.392 3.438 50 0 CGAARO Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)nc2ccc(F)cc12 ZINC001506420122 937990093 /nfs/dbraw/zinc/99/00/93/937990093.db2.gz VEGVSAPWJFASLY-CYBMUJFWSA-N 1 0 273.355 3.188 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001506427010 937990182 /nfs/dbraw/zinc/99/01/82/937990182.db2.gz WEPHOLLZYUACGK-CQSZACIVSA-N 1 0 296.418 3.414 50 0 CGAARO O[C@@H](C[C@H]1CCC[N@@H+]1CCc1ccncc1)c1ccccc1 ZINC000096441733 230373138 /nfs/dbraw/zinc/37/31/38/230373138.db2.gz SPXQQVJGVNOMGZ-MOPGFXCFSA-N 1 0 296.414 3.212 50 0 CGAARO c1cc(C[NH2+][C@@H]2CCSC2)cc(N2CCCCCC2)n1 ZINC000096477320 230379810 /nfs/dbraw/zinc/37/98/10/230379810.db2.gz NUPDSLZKQSLXGM-OAHLLOKOSA-N 1 0 291.464 3.057 50 0 CGAARO CN(CCC[NH+](C)C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222753235 230398647 /nfs/dbraw/zinc/39/86/47/230398647.db2.gz DAXDWWXNMRUFOU-UHFFFAOYSA-N 1 0 291.826 3.272 50 0 CGAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000095962408 185044833 /nfs/dbraw/zinc/04/48/33/185044833.db2.gz SRZBKDSJHLCOTP-CYBMUJFWSA-N 1 0 271.408 3.239 50 0 CGAARO CN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc(Cl)c1 ZINC000124688181 187148587 /nfs/dbraw/zinc/14/85/87/187148587.db2.gz NWZDVLVKYVDHMA-OAHLLOKOSA-N 1 0 266.816 3.256 50 0 CGAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000095968420 185046291 /nfs/dbraw/zinc/04/62/91/185046291.db2.gz BOYKPAVMERISQT-ZOBUZTSGSA-N 1 0 261.409 3.067 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)nc1 ZINC000095978224 185052033 /nfs/dbraw/zinc/05/20/33/185052033.db2.gz RBXCZEIAPAHFIQ-GXTWGEPZSA-N 1 0 276.405 3.053 50 0 CGAARO Cc1ncccc1C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000095978245 185052150 /nfs/dbraw/zinc/05/21/50/185052150.db2.gz FDLKLJAFARQBQP-BXUZGUMPSA-N 1 0 276.405 3.053 50 0 CGAARO C[C@@H](Nc1ccc(-n2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000095990586 185057327 /nfs/dbraw/zinc/05/73/27/185057327.db2.gz BZMCCFDVGOZYIO-CQSZACIVSA-N 1 0 284.407 3.015 50 0 CGAARO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1nc(C)cs1 ZINC000096013870 185065345 /nfs/dbraw/zinc/06/53/45/185065345.db2.gz HAFWHHMOKBDBLB-UONOGXRCSA-N 1 0 294.395 3.365 50 0 CGAARO CCCCn1nc(C)nc1-c1cccc(C[NH+](C)C)c1 ZINC000096139799 185106037 /nfs/dbraw/zinc/10/60/37/185106037.db2.gz LHPYFADYPDEHTH-UHFFFAOYSA-N 1 0 272.396 3.115 50 0 CGAARO C[C@H]([NH2+]CCO)[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000002496805 344857245 /nfs/dbraw/zinc/85/72/45/344857245.db2.gz OHQOVQBFELGAJG-CVEARBPZSA-N 1 0 283.415 3.425 50 0 CGAARO C[C@@H]1C(c2ccccc2)[N+](=O)[C@@](C)(c2cccs2)N1O ZINC000033838038 344936546 /nfs/dbraw/zinc/93/65/46/344936546.db2.gz KGTAFXKBQLSUQB-ABAIWWIYSA-N 1 0 288.372 3.014 50 0 CGAARO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000084148689 178804494 /nfs/dbraw/zinc/80/44/94/178804494.db2.gz HOYOIRFBMXNQLZ-KBXCAEBGSA-N 1 0 285.387 3.388 50 0 CGAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C2)C[C@H]2CCCC[N@@H+]21 ZINC000071772327 345404939 /nfs/dbraw/zinc/40/49/39/345404939.db2.gz UYFHCQBNTXCLDD-XNJGSVPQSA-N 1 0 273.376 3.175 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC000072234474 345406709 /nfs/dbraw/zinc/40/67/09/345406709.db2.gz XKEAKWFAOUVJFU-HOTGVXAUSA-N 1 0 278.440 3.042 50 0 CGAARO COC[C@H](C)[NH+]1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000072308087 345409241 /nfs/dbraw/zinc/40/92/41/345409241.db2.gz KSANMPVGAGVIFR-UONOGXRCSA-N 1 0 296.842 3.054 50 0 CGAARO C[NH+](C)CCN(C(=O)Nc1ccccc1F)C1CCCC1 ZINC000075572653 345513555 /nfs/dbraw/zinc/51/35/55/345513555.db2.gz UCQVGSCLTPRDSI-UHFFFAOYSA-N 1 0 293.386 3.164 50 0 CGAARO CC(C)COC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000096026355 345900956 /nfs/dbraw/zinc/90/09/56/345900956.db2.gz GXAYAXUSRVLPOV-MRXNPFEDSA-N 1 0 275.392 3.413 50 0 CGAARO C[NH+](C)C[C@]1(C)Cc2ccccc2[C@]1(O)Cc1ccccc1 ZINC000096027199 345901928 /nfs/dbraw/zinc/90/19/28/345901928.db2.gz TVMJKCNCLGEZRI-VQTJNVASSA-N 1 0 295.426 3.241 50 0 CGAARO CC(C)[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000096027754 345902030 /nfs/dbraw/zinc/90/20/30/345902030.db2.gz ACGVYTIEQFECFQ-SFHVURJKSA-N 1 0 299.414 3.152 50 0 CGAARO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1O ZINC000194992284 346272149 /nfs/dbraw/zinc/27/21/49/346272149.db2.gz JGRMUGFLDRYDSS-BBRMVZONSA-N 1 0 298.386 3.379 50 0 CGAARO Cc1ccccc1/C(=C\C1=[NH+]CCN1)c1ccccc1 ZINC000211056244 346285499 /nfs/dbraw/zinc/28/54/99/346285499.db2.gz MOBDZIOXPNYDML-LGMDPLHJSA-N 1 0 262.356 3.428 50 0 CGAARO C[C@H](CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000215644201 346288729 /nfs/dbraw/zinc/28/87/29/346288729.db2.gz IPECYTQNNIXORO-CQNRTFJUSA-N 1 0 293.476 3.315 50 0 CGAARO CC[NH+]1CCN([C@H](C)c2cccc(Br)c2)CC1 ZINC000230555851 346321408 /nfs/dbraw/zinc/32/14/08/346321408.db2.gz UTHZRPFDYLAKNL-GFCCVEGCSA-N 1 0 297.240 3.148 50 0 CGAARO C[C@H](CC[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1 ZINC000248758704 346378787 /nfs/dbraw/zinc/37/87/87/346378787.db2.gz DCCKAGABDXKKPM-NVXWUHKLSA-N 1 0 284.407 3.109 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)C(C)C)CC1 ZINC000409421158 346604912 /nfs/dbraw/zinc/60/49/12/346604912.db2.gz SDSRMACDAWTREH-UHFFFAOYSA-N 1 0 289.423 3.279 50 0 CGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H]1CCSC1 ZINC000584885310 346721196 /nfs/dbraw/zinc/72/11/96/346721196.db2.gz LQUCDINZTSOBNZ-LLVKDONJSA-N 1 0 296.386 3.392 50 0 CGAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000584886163 346721521 /nfs/dbraw/zinc/72/15/21/346721521.db2.gz YEAXLNIZYUYMET-AWEZNQCLSA-N 1 0 288.435 3.267 50 0 CGAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000584889593 346722079 /nfs/dbraw/zinc/72/20/79/346722079.db2.gz DDQFOGLNKDKDQA-ZDUSSCGKSA-N 1 0 299.418 3.018 50 0 CGAARO Clc1ccc2[nH]c(CCC[NH2+][C@@H]3CCSC3)nc2c1 ZINC000584890187 346722168 /nfs/dbraw/zinc/72/21/68/346722168.db2.gz FBOCYWMFKNUBLO-LLVKDONJSA-N 1 0 295.839 3.244 50 0 CGAARO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc([S@](C)=O)cc1 ZINC000090853197 180046403 /nfs/dbraw/zinc/04/64/03/180046403.db2.gz LYZZQEJEGVSHQL-OAVHHTNSSA-N 1 0 265.422 3.263 50 0 CGAARO Cc1nc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)c(C)s1 ZINC000092045502 180310606 /nfs/dbraw/zinc/31/06/06/180310606.db2.gz VYGXPXMVWSAQOP-MRXNPFEDSA-N 1 0 294.464 3.135 50 0 CGAARO Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000092427515 180383746 /nfs/dbraw/zinc/38/37/46/180383746.db2.gz IBXWXOLAFNHGNU-GOSISDBHSA-N 1 0 299.418 3.182 50 0 CGAARO c1ccc(CCC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158251068 188366425 /nfs/dbraw/zinc/36/64/25/188366425.db2.gz QPCIPYIRDAASAX-UHFFFAOYSA-N 1 0 259.393 3.264 50 0 CGAARO FC(F)(F)c1ccccc1C[NH2+]Cc1cccnc1 ZINC000020140591 282925669 /nfs/dbraw/zinc/92/56/69/282925669.db2.gz ULEGENZSVCKOMQ-UHFFFAOYSA-N 1 0 266.266 3.390 50 0 CGAARO Ic1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000003734451 283041152 /nfs/dbraw/zinc/04/11/52/283041152.db2.gz PYJGNOJFRGJSEX-LLVKDONJSA-N 1 0 287.144 3.106 50 0 CGAARO COCc1cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1F ZINC000225337341 189747125 /nfs/dbraw/zinc/74/71/25/189747125.db2.gz DADBXLONBCOFHL-XZJROXQQSA-N 1 0 295.398 3.121 50 0 CGAARO O=C(Nc1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000198824 368314230 /nfs/dbraw/zinc/31/42/30/368314230.db2.gz OVSLXLJKOJXULE-GDBMZVCRSA-N 1 0 288.391 3.500 50 0 CGAARO c1ccc(CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000000279277 368331835 /nfs/dbraw/zinc/33/18/35/368331835.db2.gz AMIUKHHHHJYBCP-UHFFFAOYSA-N 1 0 266.388 3.051 50 0 CGAARO CCC[N@H+](CCO)Cc1ccc(Cl)cc1Cl ZINC000000278803 368332245 /nfs/dbraw/zinc/33/22/45/368332245.db2.gz CNZWNCCDXNLWRC-UHFFFAOYSA-N 1 0 262.180 3.198 50 0 CGAARO O[C@H]1CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000000359759 368347288 /nfs/dbraw/zinc/34/72/88/368347288.db2.gz YSSBJODGIYRAMI-IRXDYDNUSA-N 1 0 259.393 3.170 50 0 in-man CGAARO CCC[NH+]1CCC(N[C@H](C)c2ccc(F)cc2)CC1 ZINC000000757224 368393537 /nfs/dbraw/zinc/39/35/37/368393537.db2.gz CKHJWDYYBWJWKB-CYBMUJFWSA-N 1 0 264.388 3.351 50 0 CGAARO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)cc(OC)c1 ZINC000000758806 368394710 /nfs/dbraw/zinc/39/47/10/368394710.db2.gz DRSYBUUGHBYGHZ-LRDDRELGSA-N 1 0 263.381 3.372 50 0 CGAARO [NH3+]CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001745084 368436679 /nfs/dbraw/zinc/43/66/79/368436679.db2.gz TUDUIAOEUSVRMN-UHFFFAOYSA-N 1 0 278.359 3.058 50 0 CGAARO C[NH2+]CC[C@@H](Oc1ccccc1OC)c1ccccc1 ZINC000001849597 368440548 /nfs/dbraw/zinc/44/05/48/368440548.db2.gz ITJNARMNRKSWTA-OAHLLOKOSA-N 1 0 271.360 3.425 50 0 in-man CGAARO Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000002477902 368455376 /nfs/dbraw/zinc/45/53/76/368455376.db2.gz ZVNDYCMEZPKSHC-UHFFFAOYSA-N 1 0 255.317 3.014 50 0 CGAARO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCC(C)CC3)c2c1 ZINC000002453363 368456015 /nfs/dbraw/zinc/45/60/15/368456015.db2.gz MRABMIYQDIIZCR-UHFFFAOYSA-N 1 0 270.376 3.391 50 0 CGAARO [NH3+]CCn1ccc2ccc(OCc3ccccc3)cc21 ZINC000002525851 368459810 /nfs/dbraw/zinc/45/98/10/368459810.db2.gz HJSOWQOKIYYRIH-UHFFFAOYSA-N 1 0 266.344 3.179 50 0 CGAARO COc1ccc(C(=O)C[NH2+]C2CCCCCC2)cc1 ZINC000003288623 368500796 /nfs/dbraw/zinc/50/07/96/368500796.db2.gz IZLFIAIEHYXZSF-UHFFFAOYSA-N 1 0 261.365 3.190 50 0 CGAARO CN(C)c1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000003277817 368500877 /nfs/dbraw/zinc/50/08/77/368500877.db2.gz DUBXLRJWMBQVJY-INIZCTEOSA-N 1 0 279.387 3.325 50 0 CGAARO C/C=C/c1ccc(OCC[NH2+][C@@H](C)CC)c(OC)c1 ZINC000002823933 368480447 /nfs/dbraw/zinc/48/04/47/368480447.db2.gz JEHZDJMLLHHFOG-IYNGYCSASA-N 1 0 263.381 3.495 50 0 CGAARO C[C@H](O)C[NH2+]CCCOc1ccc2ccccc2c1Cl ZINC000002881654 368484406 /nfs/dbraw/zinc/48/44/06/368484406.db2.gz CHCCNUBWGGOQAJ-LBPRGKRZSA-N 1 0 293.794 3.233 50 0 CGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(C)(C)C ZINC000004027932 368527244 /nfs/dbraw/zinc/52/72/44/368527244.db2.gz GEXNGOWIYXVINF-HOCLYGCPSA-N 1 0 286.419 3.175 50 0 biogenic CGAARO CC[NH+](CC)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000003449390 368507745 /nfs/dbraw/zinc/50/77/45/368507745.db2.gz YKCSTGBOJHLVDO-LLVKDONJSA-N 1 0 292.206 3.075 50 0 CGAARO CC[NH+](CC)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000003449388 368507866 /nfs/dbraw/zinc/50/78/66/368507866.db2.gz YKCSTGBOJHLVDO-NSHDSACASA-N 1 0 292.206 3.075 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)C[N@H+](C)CC2 ZINC000003874849 368522325 /nfs/dbraw/zinc/52/23/25/368522325.db2.gz ICPHJSKVAZMKIV-QGZVFWFLSA-N 1 0 297.398 3.324 50 0 in-man CGAARO O[C@H](C[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005189648 368561758 /nfs/dbraw/zinc/56/17/58/368561758.db2.gz ZVCDHPXELZRAFC-YYUOFMGYSA-N 1 0 263.425 3.050 50 0 CGAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000010434826 368582438 /nfs/dbraw/zinc/58/24/38/368582438.db2.gz WQOZKGHCJGQRLQ-RBSFLKMASA-N 1 0 285.472 3.357 50 0 CGAARO CCOCCC[NH2+]Cc1ccc(OCC)c(Cl)c1 ZINC000010474671 368583791 /nfs/dbraw/zinc/58/37/91/368583791.db2.gz NWDGVKIAZKEBRA-UHFFFAOYSA-N 1 0 271.788 3.255 50 0 CGAARO Cc1cc(C)cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000006008611 368565919 /nfs/dbraw/zinc/56/59/19/368565919.db2.gz KALUKGNJMIIXIT-OAHLLOKOSA-N 1 0 289.423 3.299 50 0 CGAARO CSCCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012195009 368605085 /nfs/dbraw/zinc/60/50/85/368605085.db2.gz BKHQYQKPAZNUKQ-CQSZACIVSA-N 1 0 298.496 3.043 50 0 CGAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COC1CCCC1 ZINC000012384481 368611557 /nfs/dbraw/zinc/61/15/57/368611557.db2.gz PLNAODMKDURMGU-AWEZNQCLSA-N 1 0 283.456 3.350 50 0 CGAARO CC[C@H](C)n1cc(C[NH2+]CCc2cccc(OC)c2)cn1 ZINC000012398281 368611803 /nfs/dbraw/zinc/61/18/03/368611803.db2.gz IMBUPMZODJJLOF-AWEZNQCLSA-N 1 0 287.407 3.195 50 0 CGAARO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000012481478 368614408 /nfs/dbraw/zinc/61/44/08/368614408.db2.gz IABICIBDDWBMFQ-NSHDSACASA-N 1 0 273.163 3.074 50 0 CGAARO OC1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000013144166 368645205 /nfs/dbraw/zinc/64/52/05/368645205.db2.gz NPTPSTMWVJJQKD-UHFFFAOYSA-N 1 0 297.398 3.222 50 0 CGAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000014631201 368683086 /nfs/dbraw/zinc/68/30/86/368683086.db2.gz PROCWWGLYCWNJS-SECBINFHSA-N 1 0 260.164 3.372 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OC ZINC000019720731 368761848 /nfs/dbraw/zinc/76/18/48/368761848.db2.gz LLUBAMRZDJSUNC-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788140 368765381 /nfs/dbraw/zinc/76/53/81/368765381.db2.gz YENWJFPWRVSWLY-ZDUSSCGKSA-N 1 0 266.816 3.256 50 0 CGAARO c1c(Cc2ccccc2)nnn1C1CC[NH+](C2CCC2)CC1 ZINC000019799401 368767044 /nfs/dbraw/zinc/76/70/44/368767044.db2.gz MWALKJGSLSWRJW-UHFFFAOYSA-N 1 0 296.418 3.058 50 0 CGAARO O[C@H](Cc1ccccc1)C1CC[NH+](C[C@H]2CC23CCC3)CC1 ZINC000019229116 368745528 /nfs/dbraw/zinc/74/55/28/368745528.db2.gz ZZAPDSQVUPAWDJ-RTBURBONSA-N 1 0 299.458 3.492 50 0 CGAARO O[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023282044 368820009 /nfs/dbraw/zinc/82/00/09/368820009.db2.gz JJYRBCABTTXNBQ-GOSISDBHSA-N 1 0 297.398 3.222 50 0 CGAARO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc12 ZINC000023281456 368820407 /nfs/dbraw/zinc/82/04/07/368820407.db2.gz GCANELQTSDSUOB-OKILXGFUSA-N 1 0 285.387 3.458 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1OC ZINC000025356932 368844943 /nfs/dbraw/zinc/84/49/43/368844943.db2.gz QMEVKBFMSDWYLN-OAHLLOKOSA-N 1 0 299.370 3.317 50 0 CGAARO CC[NH+](CC)CCNc1nc2c(cccc2OC)s1 ZINC000026424002 368858491 /nfs/dbraw/zinc/85/84/91/368858491.db2.gz QGXCGHJRAWBFMZ-UHFFFAOYSA-N 1 0 279.409 3.059 50 0 CGAARO CCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027582293 368873172 /nfs/dbraw/zinc/87/31/72/368873172.db2.gz UAMVIRLUAOOBPY-MRXNPFEDSA-N 1 0 274.408 3.048 50 0 CGAARO Cc1c(Cl)ccc2c(=O)c(C[NH+]3CCCCC3)c[nH]c12 ZINC000028294877 368885148 /nfs/dbraw/zinc/88/51/48/368885148.db2.gz ISCSKHIYGUEWFW-UHFFFAOYSA-N 1 0 290.794 3.476 50 0 CGAARO C[C@H]([NH2+]Cc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925575 368890218 /nfs/dbraw/zinc/89/02/18/368890218.db2.gz HYJOZYBERYABLN-ZDUSSCGKSA-N 1 0 295.386 3.281 50 0 CGAARO COc1cccc2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000034090542 368970725 /nfs/dbraw/zinc/97/07/25/368970725.db2.gz YZGRIGRHOOHRTP-CQSZACIVSA-N 1 0 287.428 3.446 50 0 in-vitro CGAARO Cc1ccc(COCc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC000034928809 368980662 /nfs/dbraw/zinc/98/06/62/368980662.db2.gz DVANSLNENDYHLQ-UHFFFAOYSA-N 1 0 283.371 3.194 50 0 CGAARO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000032516026 368934605 /nfs/dbraw/zinc/93/46/05/368934605.db2.gz SCBWZQBYFRWOSB-QZTJIDSGSA-N 1 0 273.420 3.435 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](CC(C)C)C(C)C)cc1 ZINC000032810009 368946840 /nfs/dbraw/zinc/94/68/40/368946840.db2.gz IVOVQEQEAJROFW-UHFFFAOYSA-N 1 0 262.397 3.300 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099385 369008584 /nfs/dbraw/zinc/00/85/84/369008584.db2.gz BDOXPSWTKNOCFU-HOCLYGCPSA-N 1 0 299.480 3.382 50 0 CGAARO COc1ccccc1C[NH2+]CCc1nc(C)c(C)s1 ZINC000041621332 369193814 /nfs/dbraw/zinc/19/38/14/369193814.db2.gz RLKUTAZCWWGSKJ-UHFFFAOYSA-N 1 0 276.405 3.101 50 0 CGAARO Fc1ccc(COCC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000042773937 369232476 /nfs/dbraw/zinc/23/24/76/369232476.db2.gz KUXOKTIFJLSVPW-ZDUSSCGKSA-N 1 0 255.308 3.014 50 0 CGAARO Fc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042772283 369230605 /nfs/dbraw/zinc/23/06/05/369230605.db2.gz JGQVVYDQXXLCED-LLVKDONJSA-N 1 0 257.736 3.390 50 0 CGAARO COC(=O)c1cccn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000047844089 369328896 /nfs/dbraw/zinc/32/88/96/369328896.db2.gz QFDSWGSYPJDOLK-UHFFFAOYSA-N 1 0 298.386 3.112 50 0 CGAARO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000227266612 189782699 /nfs/dbraw/zinc/78/26/99/189782699.db2.gz UAZITUQQRCDWGP-DOTOQJQBSA-N 1 0 286.419 3.143 50 0 CGAARO COc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)c(OC)c1 ZINC000050268036 369433582 /nfs/dbraw/zinc/43/35/82/369433582.db2.gz YLSUYFXPYHEORI-GXTWGEPZSA-N 1 0 277.364 3.047 50 0 CGAARO Fc1cccnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054700511 369504886 /nfs/dbraw/zinc/50/48/86/369504886.db2.gz RNOYJMFFJJZQGK-UHFFFAOYSA-N 1 0 285.366 3.297 50 0 CGAARO Cc1cc(OCC(=O)N[C@H](C)c2cccs2)cc(C)[nH+]1 ZINC000128194101 370961513 /nfs/dbraw/zinc/96/15/13/370961513.db2.gz JXTIHEVESGWHQN-GFCCVEGCSA-N 1 0 290.388 3.016 50 0 CGAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000055060387 369510815 /nfs/dbraw/zinc/51/08/15/369510815.db2.gz XFSJKOOMOQHEDM-UHFFFAOYSA-N 1 0 292.448 3.147 50 0 CGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc3c(c2)CCO3)c1 ZINC000055368861 369515377 /nfs/dbraw/zinc/51/53/77/369515377.db2.gz IDOQHOFAEXJVPK-HNNXBMFYSA-N 1 0 296.414 3.388 50 0 CGAARO CCCCc1cn(C2CC[NH+](C[C@H](C)CC)CC2)nn1 ZINC000055358239 369515406 /nfs/dbraw/zinc/51/54/06/369515406.db2.gz LBAYBSGXCRIFMR-CQSZACIVSA-N 1 0 278.444 3.304 50 0 CGAARO Cc1ccccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000055543016 369519231 /nfs/dbraw/zinc/51/92/31/369519231.db2.gz ZZGVVQKLUXPJRL-UHFFFAOYSA-N 1 0 272.417 3.379 50 0 CGAARO COC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000056908392 369530114 /nfs/dbraw/zinc/53/01/14/369530114.db2.gz KZTNCBPEHXPUTO-GFCCVEGCSA-N 1 0 253.773 3.198 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000058330517 369564723 /nfs/dbraw/zinc/56/47/23/369564723.db2.gz PNPQVIOVRYDNNB-AWEZNQCLSA-N 1 0 299.418 3.018 50 0 CGAARO CC[N@H+](Cc1ccc(C(=O)N(C)CC2CC2)cc1)C(C)C ZINC000058405625 369567152 /nfs/dbraw/zinc/56/71/52/369567152.db2.gz FMEAMLNVPIJPEG-UHFFFAOYSA-N 1 0 288.435 3.399 50 0 CGAARO FC(F)(F)c1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000058405700 369567589 /nfs/dbraw/zinc/56/75/89/369567589.db2.gz XKYOSKSOYSYRRM-UHFFFAOYSA-N 1 0 298.352 3.376 50 0 CGAARO [NH3+]CCn1ccc2cc(OCc3ccccc3)ccc21 ZINC000059731333 369582249 /nfs/dbraw/zinc/58/22/49/369582249.db2.gz JKFZERRMLZYNJZ-UHFFFAOYSA-N 1 0 266.344 3.179 50 0 CGAARO Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000067350457 369716000 /nfs/dbraw/zinc/71/60/00/369716000.db2.gz JNPNSNBJTVGYQM-UHFFFAOYSA-N 1 0 291.782 3.411 50 0 CGAARO Cc1nc(C[NH2+][C@H](C)Cc2cccc(F)c2)cs1 ZINC000065395315 369672472 /nfs/dbraw/zinc/67/24/72/369672472.db2.gz XREIZRAAMOTGJL-SNVBAGLBSA-N 1 0 264.369 3.311 50 0 CGAARO COc1ccc(-c2cccc([C@@H](C)[NH+](C)C)c2)cc1CO ZINC000065418572 369674340 /nfs/dbraw/zinc/67/43/40/369674340.db2.gz JZCSVOUYPWKKSX-CYBMUJFWSA-N 1 0 285.387 3.477 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065426609 369675675 /nfs/dbraw/zinc/67/56/75/369675675.db2.gz JTVRTOVYXHMNBA-OAHLLOKOSA-N 1 0 292.386 3.460 50 0 CGAARO CCn1cc(C[N@H+](Cc2ccsc2)C(C)C)cn1 ZINC000065422300 369676173 /nfs/dbraw/zinc/67/61/73/369676173.db2.gz YCVZCOYBQSLGAP-UHFFFAOYSA-N 1 0 263.410 3.375 50 0 CGAARO O=C(c1cc2ccccc2o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000065499604 369678677 /nfs/dbraw/zinc/67/86/77/369678677.db2.gz HVVDFHCWSJJCNY-OAHLLOKOSA-N 1 0 298.386 3.133 50 0 CGAARO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000069368969 369758140 /nfs/dbraw/zinc/75/81/40/369758140.db2.gz OCKHFZRTJFOAKB-VOTDVEDPSA-N 1 0 285.391 3.144 50 0 CGAARO CN(C(=O)c1occc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000069416729 369759385 /nfs/dbraw/zinc/75/93/85/369759385.db2.gz XYRUCNSPSUGVMA-UHFFFAOYSA-N 1 0 298.386 3.113 50 0 CGAARO c1ccc2c(c1)cccc2C[N@@H+]1CCc2cncnc2C1 ZINC000069869800 369773910 /nfs/dbraw/zinc/77/39/10/369773910.db2.gz JCWAKPKAOOQJGO-UHFFFAOYSA-N 1 0 275.355 3.188 50 0 CGAARO Cc1ccc(C)c(C[NH+]2CC(c3nc(C4CC4)no3)C2)c1 ZINC000070637018 369806182 /nfs/dbraw/zinc/80/61/82/369806182.db2.gz AQTWEOXXOUGXEL-UHFFFAOYSA-N 1 0 283.375 3.163 50 0 CGAARO C[C@H]1CCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072424659 369818878 /nfs/dbraw/zinc/81/88/78/369818878.db2.gz HGLOVSQRGXBIBV-AWEZNQCLSA-N 1 0 261.409 3.374 50 0 CGAARO Fc1ccccc1NC1CC[NH+](CCc2ccccn2)CC1 ZINC000072688123 369834733 /nfs/dbraw/zinc/83/47/33/369834733.db2.gz KKEBVFPQYVBIBJ-UHFFFAOYSA-N 1 0 299.393 3.340 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000089657359 370044331 /nfs/dbraw/zinc/04/43/31/370044331.db2.gz OUGSZKXHKALLPS-KRWDZBQOSA-N 1 0 299.418 3.463 50 0 CGAARO Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000089656079 370044916 /nfs/dbraw/zinc/04/49/16/370044916.db2.gz ZWJPTNBHEPCHPM-LBPRGKRZSA-N 1 0 291.782 3.005 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2s1)C[C@H]1CCOC1 ZINC000093839784 370162796 /nfs/dbraw/zinc/16/27/96/370162796.db2.gz UOQMIEICKUIIJQ-GFCCVEGCSA-N 1 0 261.390 3.370 50 0 CGAARO CC(C)=CCC[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000097016546 370215453 /nfs/dbraw/zinc/21/54/53/370215453.db2.gz RIAUDGFXXTXFKR-AWEZNQCLSA-N 1 0 267.413 3.397 50 0 CGAARO COc1ccc(C)cc1C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203167 370232372 /nfs/dbraw/zinc/23/23/72/370232372.db2.gz VWHFMZDDXMYGOB-UHFFFAOYSA-N 1 0 299.418 3.117 50 0 CGAARO CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000097478302 370244251 /nfs/dbraw/zinc/24/42/51/370244251.db2.gz WDYDLCVQKKWWAN-UHFFFAOYSA-N 1 0 263.772 3.211 50 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3.445 50 0 CGAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000112716670 370445894 /nfs/dbraw/zinc/44/58/94/370445894.db2.gz UVLYIIQWLKPQDD-NSHDSACASA-N 1 0 290.338 3.094 50 0 CGAARO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000112716537 370446015 /nfs/dbraw/zinc/44/60/15/370446015.db2.gz HGBQRXODPKZVMA-WDEREUQCSA-N 1 0 288.313 3.306 50 0 CGAARO Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299802809 373613181 /nfs/dbraw/zinc/61/31/81/373613181.db2.gz QIKTZQMENUGFQQ-ZNMIVQPWSA-N 1 0 269.348 3.071 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)o1 ZINC000075103993 541907905 /nfs/dbraw/zinc/90/79/05/541907905.db2.gz IQUFAHUFAOHFBZ-CWTRNNRKSA-N 1 0 277.389 3.176 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1 ZINC000090454868 541962489 /nfs/dbraw/zinc/96/24/89/541962489.db2.gz IWTUHNQUSMHJAX-RISCZKNCSA-N 1 0 281.359 3.364 50 0 CGAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C2 ZINC000091315051 541967082 /nfs/dbraw/zinc/96/70/82/541967082.db2.gz JPGICUGNYWXNDE-FUHWJXTLSA-N 1 0 281.403 3.247 50 0 CGAARO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761387 375089045 /nfs/dbraw/zinc/08/90/45/375089045.db2.gz LHSYRVKUPAYFFV-UONOGXRCSA-N 1 0 280.437 3.190 50 0 CGAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](CCOC)C1 ZINC000214957628 376144771 /nfs/dbraw/zinc/14/47/71/376144771.db2.gz FJHUXZDYRSRRRI-OAHLLOKOSA-N 1 0 277.408 3.334 50 0 CGAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1cccc2c(C)cccc12 ZINC000215753002 376150909 /nfs/dbraw/zinc/15/09/09/376150909.db2.gz ONZHQZAMXABIIX-CQSZACIVSA-N 1 0 284.403 3.105 50 0 CGAARO CC[N@H+](CC[C@H](C)c1ccc(C)o1)Cc1nccn1C ZINC000215787467 376151867 /nfs/dbraw/zinc/15/18/67/376151867.db2.gz IKIGGLMQFNPASL-ZDUSSCGKSA-N 1 0 275.396 3.337 50 0 CGAARO C[C@@H](c1ccncn1)N(C)Cc1cc2ccccc2o1 ZINC000215989630 376154468 /nfs/dbraw/zinc/15/44/68/376154468.db2.gz BHYZQOZYOQJVKH-LBPRGKRZSA-N 1 0 267.332 3.416 50 0 CGAARO C[C@H]1CCC[N@H+](CCOc2ccc(C[NH+]3CCC3)cc2)C1 ZINC000216030760 376157419 /nfs/dbraw/zinc/15/74/19/376157419.db2.gz VHAODIMRYGFRAC-INIZCTEOSA-N 1 0 288.435 3.003 50 0 CGAARO CSCCC[N@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000216084733 376158643 /nfs/dbraw/zinc/15/86/43/376158643.db2.gz ZHTUPUVNDUZQHH-ZDUSSCGKSA-N 1 0 252.427 3.006 50 0 CGAARO Cc1c2ccccc2[nH]c1CN(C)C[C@H]1CCCC[N@@H+]1C ZINC000216275928 376161384 /nfs/dbraw/zinc/16/13/84/376161384.db2.gz NMIVGVKENJQLSC-OAHLLOKOSA-N 1 0 285.435 3.392 50 0 CGAARO C=Cn1cc(C[NH2+][C@](C)(CC)c2ccccc2)cn1 ZINC000225582894 376316928 /nfs/dbraw/zinc/31/69/28/376316928.db2.gz CYFMMRZXFKFCDE-MRXNPFEDSA-N 1 0 255.365 3.399 50 0 CGAARO Cc1nc(C[NH2+][C@H]2CCCC23CCOCC3)c(C)s1 ZINC000225726686 376323637 /nfs/dbraw/zinc/32/36/37/376323637.db2.gz BTSXBESCQVBKKR-AWEZNQCLSA-N 1 0 280.437 3.199 50 0 CGAARO CCc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000539816521 376332824 /nfs/dbraw/zinc/33/28/24/376332824.db2.gz PFAYPVGZPUASQR-UHFFFAOYSA-N 1 0 275.421 3.413 50 0 CGAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000227794346 376409786 /nfs/dbraw/zinc/40/97/86/376409786.db2.gz PCDWLXFOBVIDMN-YWPYICTPSA-N 1 0 292.810 3.131 50 0 CGAARO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000226751593 376371859 /nfs/dbraw/zinc/37/18/59/376371859.db2.gz FYSDFSMQUJVYTG-IAGOWNOFSA-N 1 0 298.361 3.110 50 0 CGAARO CCc1noc([C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000229202963 376459424 /nfs/dbraw/zinc/45/94/24/376459424.db2.gz ZJCCSZRTWYLARM-TZMCWYRMSA-N 1 0 271.364 3.183 50 0 CGAARO CCn1nccc1C[N@H+](CC)Cc1ccc2[nH]ccc2c1 ZINC000242389220 376781485 /nfs/dbraw/zinc/78/14/85/376781485.db2.gz ZVHDVNLPKLWQCR-UHFFFAOYSA-N 1 0 282.391 3.406 50 0 CGAARO C[N@H+](CCCOc1ccccc1Cl)CCc1cn[nH]c1 ZINC000243956709 376788815 /nfs/dbraw/zinc/78/88/15/376788815.db2.gz CCKGJXNQVZZTRJ-UHFFFAOYSA-N 1 0 293.798 3.007 50 0 CGAARO Cc1cccc([C@H]2CCC[N@H+]2CCOCC(C)C)n1 ZINC000252479249 377625843 /nfs/dbraw/zinc/62/58/43/377625843.db2.gz BBWYPZVZPYGHNG-MRXNPFEDSA-N 1 0 262.397 3.200 50 0 CGAARO Cc1cccc(C(=O)N2CCC(Oc3ccncc3)CC2)c1 ZINC000252492450 377633064 /nfs/dbraw/zinc/63/30/64/377633064.db2.gz MMSXDZOYTWCQNU-UHFFFAOYSA-N 1 0 296.370 3.074 50 0 CGAARO CC[C@H](C)c1csc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000252716117 377655509 /nfs/dbraw/zinc/65/55/09/377655509.db2.gz XPMGWZIGKOWGRD-GVXVVHGQSA-N 1 0 266.410 3.192 50 0 CGAARO [NH3+]Cc1c(Cl)cc(OCC(F)(F)F)cc1Cl ZINC000575442097 377912454 /nfs/dbraw/zinc/91/24/54/377912454.db2.gz HLIKKNOGFLQMBU-UHFFFAOYSA-N 1 0 274.069 3.393 50 0 CGAARO Cc1cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)ccc1F ZINC000264394477 377982785 /nfs/dbraw/zinc/98/27/85/377982785.db2.gz UBSVLGQFOOMEDI-UHFFFAOYSA-N 1 0 299.393 3.419 50 0 CGAARO C[C@H](CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)c1ccccc1 ZINC000377078959 379629645 /nfs/dbraw/zinc/62/96/45/379629645.db2.gz BDVMJFFZVSMISA-ZBFHGGJFSA-N 1 0 284.407 3.178 50 0 CGAARO COc1ccc(CC[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1 ZINC000039248420 184545015 /nfs/dbraw/zinc/54/50/15/184545015.db2.gz VAEJKFNRDIUYSH-GOSISDBHSA-N 1 0 299.414 3.340 50 0 CGAARO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1cnn(C)c1 ZINC000096494817 533329432 /nfs/dbraw/zinc/32/94/32/533329432.db2.gz SKDVWIISNFSECH-FFKNIBCLSA-N 1 0 273.355 3.156 50 0 CGAARO C[C@@H]([NH2+]Cc1ccncc1F)[C@@H](c1ccccc1)N(C)C ZINC000449251955 533464450 /nfs/dbraw/zinc/46/44/50/533464450.db2.gz SWWDTVMCMMLUSP-DYVFJYSZSA-N 1 0 287.382 3.002 50 0 CGAARO Cc1ccc2c(C[N@H+]3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000002215255 391915808 /nfs/dbraw/zinc/91/58/08/391915808.db2.gz OCEHGVSIIHMTHY-CYBMUJFWSA-N 1 0 271.360 3.476 50 0 CGAARO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000090035196 392228813 /nfs/dbraw/zinc/22/88/13/392228813.db2.gz ZCHZLFSSQHGSOY-LRDDRELGSA-N 1 0 296.842 3.100 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+]Cc1c(C)n[nH]c1C ZINC000097159476 392260703 /nfs/dbraw/zinc/26/07/03/392260703.db2.gz BXJHDLDFAXWCQN-UHFFFAOYSA-N 1 0 295.386 3.478 50 0 CGAARO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1OCc1ccncc1 ZINC000105437438 392289405 /nfs/dbraw/zinc/28/94/05/392289405.db2.gz 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/nfs/dbraw/zinc/09/01/46/292090146.db2.gz WCVKSYWVJMNNMM-UHFFFAOYSA-N 1 0 261.345 3.334 50 0 CGAARO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000023549855 286882678 /nfs/dbraw/zinc/88/26/78/286882678.db2.gz GMHNZEXGQLXEMJ-HNNXBMFYSA-N 1 0 261.365 3.167 50 0 CGAARO c1[nH]nc2c1C[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000090453701 165234358 /nfs/dbraw/zinc/23/43/58/165234358.db2.gz LGQCTESZNAVOTH-IUODEOHRSA-N 1 0 285.416 3.094 50 0 CGAARO COc1cc2cccnc2c(NCC[C@@H]2CCCC[NH2+]2)c1 ZINC000003953849 169926416 /nfs/dbraw/zinc/92/64/16/169926416.db2.gz VEVGNPJKXAYEMU-AWEZNQCLSA-N 1 0 285.391 3.188 50 0 in-vitro CGAARO CCOC(=O)[C@@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000004197845 169942781 /nfs/dbraw/zinc/94/27/81/169942781.db2.gz BDNVMTUHBXMNIJ-NVXWUHKLSA-N 1 0 289.419 3.455 50 0 CGAARO CCOc1ccccc1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004845366 170029628 /nfs/dbraw/zinc/02/96/28/170029628.db2.gz SXRFUISLTWIEON-HUUCEWRRSA-N 1 0 277.408 3.442 50 0 CGAARO O=C(C[NH2+]C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000004976651 170047820 /nfs/dbraw/zinc/04/78/20/170047820.db2.gz HDZRFSIJEXJAFO-UHFFFAOYSA-N 1 0 266.772 3.201 50 0 CGAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc2cc(Cl)ccc12 ZINC000005006534 170054053 /nfs/dbraw/zinc/05/40/53/170054053.db2.gz HYKNYFJFLPXZRE-UHFFFAOYSA-N 1 0 289.810 3.339 50 0 CGAARO COc1ccc2c(C(=O)C[N@@H+]3CCC[C@H](C)C3)c[nH]c2c1 ZINC000005218623 170077144 /nfs/dbraw/zinc/07/71/44/170077144.db2.gz ILOXUXWHSPLVRM-LBPRGKRZSA-N 1 0 286.375 3.091 50 0 CGAARO CCn1c2ccccc2nc1CCC[NH+]1CCCCC1 ZINC000005235838 170078226 /nfs/dbraw/zinc/07/82/26/170078226.db2.gz GICUYSNAQACJKG-UHFFFAOYSA-N 1 0 271.408 3.475 50 0 CGAARO COc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000006698107 170227249 /nfs/dbraw/zinc/22/72/49/170227249.db2.gz IQQXLSODJFFWOV-VMPITWQZSA-N 1 0 253.345 3.498 50 0 CGAARO CC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000006698021 170227283 /nfs/dbraw/zinc/22/72/83/170227283.db2.gz WNCVXENCEVEWPC-UHFFFAOYSA-N 1 0 285.387 3.426 50 0 CGAARO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000007486562 170286721 /nfs/dbraw/zinc/28/67/21/170286721.db2.gz CFEBGSHCAKLPFV-LBPRGKRZSA-N 1 0 280.799 3.461 50 0 CGAARO Cc1nc(-c2cccc(NC(=O)C[NH2+]C(C)C)c2)cs1 ZINC000008734813 170351885 /nfs/dbraw/zinc/35/18/85/170351885.db2.gz HTCUOJMMNYHDAI-UHFFFAOYSA-N 1 0 289.404 3.055 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000009365440 170374133 /nfs/dbraw/zinc/37/41/33/170374133.db2.gz WJIPJULIRWVALG-UHFFFAOYSA-N 1 0 296.414 3.442 50 0 CGAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000010111078 170397845 /nfs/dbraw/zinc/39/78/45/170397845.db2.gz MUTDVBFMBDLGLG-UHFFFAOYSA-N 1 0 294.826 3.336 50 0 CGAARO Cn1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)cn1 ZINC000020999180 171284409 /nfs/dbraw/zinc/28/44/09/171284409.db2.gz GOCRLUXGURHQGU-UHFFFAOYSA-N 1 0 287.382 3.014 50 0 CGAARO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000022238786 171380937 /nfs/dbraw/zinc/38/09/37/171380937.db2.gz XLYAJJAWIPFPIZ-UHFFFAOYSA-N 1 0 298.386 3.251 50 0 CGAARO COc1ccc(OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022385695 171386136 /nfs/dbraw/zinc/38/61/36/171386136.db2.gz KUHBAJLVWGYQJN-UHFFFAOYSA-N 1 0 283.371 3.132 50 0 CGAARO CCOCC[NH2+][C@H](C)c1ccccc1Br ZINC000035151230 172014283 /nfs/dbraw/zinc/01/42/83/172014283.db2.gz NUBCCKCGDWTNSQ-SNVBAGLBSA-N 1 0 272.186 3.136 50 0 CGAARO C[C@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255500 173066057 /nfs/dbraw/zinc/06/60/57/173066057.db2.gz SEFXUGDSQDTBHK-FZMZJTMJSA-N 1 0 280.799 3.447 50 0 CGAARO Cc1ccccc1NC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038582666 174148674 /nfs/dbraw/zinc/14/86/74/174148674.db2.gz KZEDCQLJKDQBPJ-UHFFFAOYSA-N 1 0 289.423 3.237 50 0 CGAARO CC(C)c1cc(Cl)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770923 174871111 /nfs/dbraw/zinc/87/11/11/174871111.db2.gz DEJUTKLBMTVOMG-LLVKDONJSA-N 1 0 253.773 3.452 50 0 CGAARO O=C(C[NH+]1CCCC1)N(Cc1ccccc1)c1ccccc1 ZINC000057992379 175604724 /nfs/dbraw/zinc/60/47/24/175604724.db2.gz VZRGWFOMHKBVDU-UHFFFAOYSA-N 1 0 294.398 3.316 50 0 CGAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576232 175991609 /nfs/dbraw/zinc/99/16/09/175991609.db2.gz AKUVIHRINPRMML-MDZLAQPJSA-N 1 0 296.361 3.002 50 0 CGAARO C[C@@H]1CCC[N@H+](CCNc2nccc(C3CCCC3)n2)C1 ZINC000071419437 176160513 /nfs/dbraw/zinc/16/05/13/176160513.db2.gz ATPQLRNGNQZWTK-CQSZACIVSA-N 1 0 288.439 3.278 50 0 CGAARO [NH3+]CCc1c[nH]c2ccc(-c3ccc4c(c3)OCCO4)cc12 ZINC000071649977 176240652 /nfs/dbraw/zinc/24/06/52/176240652.db2.gz CEAJEPCUIFNTFN-UHFFFAOYSA-N 1 0 294.354 3.107 50 0 CGAARO Cc1cc(C2CCC2)nc(NCC(C)(C)[NH+]2CCCC2)n1 ZINC000071748567 176259670 /nfs/dbraw/zinc/25/96/70/176259670.db2.gz KKOZDPBAVKJQJG-UHFFFAOYSA-N 1 0 288.439 3.339 50 0 CGAARO CC(C)[NH+]1CCC(NCc2c[nH]nc2-c2ccccc2)CC1 ZINC000071839172 176274976 /nfs/dbraw/zinc/27/49/76/176274976.db2.gz KKQCVWRZXUWZGP-UHFFFAOYSA-N 1 0 298.434 3.039 50 0 CGAARO CCC[C@@](C)(CO)[NH2+]Cc1csc(Br)c1 ZINC000072289927 176361710 /nfs/dbraw/zinc/36/17/10/176361710.db2.gz VBDZKTKSRMTPOV-NSHDSACASA-N 1 0 292.242 3.151 50 0 CGAARO COc1ccc(C(C)C)cc1-c1nccn1C[C@H]1CCC[NH2+]1 ZINC000072407624 176397821 /nfs/dbraw/zinc/39/78/21/176397821.db2.gz OFPMUSYSADKVDS-OAHLLOKOSA-N 1 0 299.418 3.434 50 0 CGAARO Cc1csc(N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000077406556 177263862 /nfs/dbraw/zinc/26/38/62/177263862.db2.gz ZRKLFKCQBKHGFR-CYBMUJFWSA-N 1 0 267.442 3.008 50 0 CGAARO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000685939756 544110037 /nfs/dbraw/zinc/11/00/37/544110037.db2.gz KCGWWFAOCNXXLC-RANZSIQMSA-N 1 0 273.420 3.416 50 0 CGAARO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCCC1 ZINC000000110415 274201954 /nfs/dbraw/zinc/20/19/54/274201954.db2.gz KCMMFCBQZYILID-VIFPVBQESA-N 1 0 287.190 3.416 50 0 CGAARO C[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000036872146 274241298 /nfs/dbraw/zinc/24/12/98/274241298.db2.gz UWHMJSSTNHZKQC-ZCFIWIBFSA-N 1 0 256.136 3.403 50 0 CGAARO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2n1C ZINC000001803508 276098047 /nfs/dbraw/zinc/09/80/47/276098047.db2.gz BAMFXXYOYNDFRL-AWEZNQCLSA-N 1 0 288.439 3.496 50 0 CGAARO CCn1c(C)[n+](CC)c(C(F)(F)F)c1C(F)(F)F ZINC000005518411 276709101 /nfs/dbraw/zinc/70/91/01/276709101.db2.gz XEVAGOYXHCUJPL-UHFFFAOYSA-N 1 0 275.216 3.161 50 0 CGAARO CC(=O)Nc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000000757557 277074855 /nfs/dbraw/zinc/07/48/55/277074855.db2.gz ZSGCUQCCWBAKED-CHWSQXEVSA-N 1 0 260.381 3.123 50 0 CGAARO C[N@H+]1C[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005719743 277205859 /nfs/dbraw/zinc/20/58/59/277205859.db2.gz FIMPJCWBSXAFIG-UONOGXRCSA-N 1 0 289.762 3.461 50 0 CGAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC000005722106 277394191 /nfs/dbraw/zinc/39/41/91/277394191.db2.gz QEQPVXMSEFTRIW-IUODEOHRSA-N 1 0 275.392 3.251 50 0 CGAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000252417 277430679 /nfs/dbraw/zinc/43/06/79/277430679.db2.gz ITPCPUZQSFRMJO-QGZVFWFLSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO C[C@@H](C[NH+](C)C)C(O)(c1ccccc1)c1ccccc1 ZINC000000336779 278237437 /nfs/dbraw/zinc/23/74/37/278237437.db2.gz IFCVOBDIZQICIA-HNNXBMFYSA-N 1 0 269.388 3.120 50 0 in-vitro CGAARO CC(C)(C)C1CCC(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000027932572 278299973 /nfs/dbraw/zinc/29/99/73/278299973.db2.gz HQKVAPBKZMMEFI-GPANFISMSA-N 1 0 292.467 3.146 50 0 CGAARO O=C(C1CCC1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000065288883 279738276 /nfs/dbraw/zinc/73/82/76/279738276.db2.gz GSCUBFZDGJFWOV-INIZCTEOSA-N 1 0 278.440 3.044 50 0 CGAARO Fc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCSC1 ZINC000096499653 294765348 /nfs/dbraw/zinc/76/53/48/294765348.db2.gz BFIXMAVNIGKKRQ-GXFFZTMASA-N 1 0 267.369 3.135 50 0 CGAARO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCC(O)CC1)CCCO2 ZINC000090800319 301209307 /nfs/dbraw/zinc/20/93/07/301209307.db2.gz ZGBDTXQXDGCNPY-DQPZFDDXSA-N 1 0 289.419 3.410 50 0 CGAARO Fc1ccc(F)c([C@@H]([NH2+]C2CCOCC2)C2CC2)c1 ZINC000096478838 303130407 /nfs/dbraw/zinc/13/04/07/303130407.db2.gz STXREHUARXHKOA-HNNXBMFYSA-N 1 0 267.319 3.185 50 0 CGAARO CSCCC[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000072439839 327110846 /nfs/dbraw/zinc/11/08/46/327110846.db2.gz YSWDENZIUDWVLO-KRWDZBQOSA-N 1 0 293.476 3.055 50 0 CGAARO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccccn1)CCCO2 ZINC000089466900 327170334 /nfs/dbraw/zinc/17/03/34/327170334.db2.gz DVVPZJOKPZZCOX-KRWDZBQOSA-N 1 0 298.386 3.136 50 0 CGAARO C[C@H](C[NH2+]Cc1ccccc1)N1CCc2ccccc2C1 ZINC000237554779 333380273 /nfs/dbraw/zinc/38/02/73/333380273.db2.gz NHQAKGZSQPQMHV-MRXNPFEDSA-N 1 0 280.415 3.223 50 0 CGAARO C[C@@H](C[NH2+]Cc1cccnc1)c1nc2ccccc2o1 ZINC000096446418 534061145 /nfs/dbraw/zinc/06/11/45/534061145.db2.gz XAHOGPGKBUFZEX-LBPRGKRZSA-N 1 0 267.332 3.116 50 0 CGAARO Clc1cccc([C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022114995 570408510 /nfs/dbraw/zinc/40/85/10/570408510.db2.gz UGTBQURRNOQZSV-KRWDZBQOSA-N 1 0 286.806 3.335 50 0 CGAARO C[Si](C)(C)c1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000195788829 572525705 /nfs/dbraw/zinc/52/57/05/572525705.db2.gz UIYGROSDSAAWBE-OAHLLOKOSA-N 1 0 284.479 3.167 50 0 CGAARO CC[N@H+](CCc1ccccn1)CC12CCC(C)(CC1)OC2 ZINC000952994328 615060521 /nfs/dbraw/zinc/06/05/21/615060521.db2.gz ZRAOJEKIJFCYFT-UHFFFAOYSA-N 1 0 288.435 3.295 50 0 CGAARO Cc1cc(OCCCCCC[NH2+]CCO)ccc1Cl ZINC000002903250 617708192 /nfs/dbraw/zinc/70/81/92/617708192.db2.gz BTFQGNVMQXWJLY-UHFFFAOYSA-N 1 0 285.815 3.170 50 0 CGAARO CCN(CC[NH+](CC)CC)Cc1cc(F)ccc1F ZINC000022027612 617898647 /nfs/dbraw/zinc/89/86/47/617898647.db2.gz LEBBLVJLGNLNDX-UHFFFAOYSA-N 1 0 270.367 3.129 50 0 CGAARO C[C@H](CCc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc(N)c1 ZINC000023114676 618677288 /nfs/dbraw/zinc/67/72/88/618677288.db2.gz ZDFFMQPSABQZAT-DNVCBOLYSA-N 1 0 298.430 3.255 50 0 CGAARO c1csc(C[NH2+]CCCn2ccc3ccccc32)n1 ZINC000110908054 618926707 /nfs/dbraw/zinc/92/67/07/618926707.db2.gz MZDUUKHTUFIBGS-UHFFFAOYSA-N 1 0 271.389 3.278 50 0 CGAARO C[C@]1(c2ccccc2)C[C@@H](O)C[C@H](c2ccccc2)[NH2+]1 ZINC000004104277 619065891 /nfs/dbraw/zinc/06/58/91/619065891.db2.gz UIYVXTMJZHAIIU-RCCFBDPRSA-N 1 0 267.372 3.387 50 0 CGAARO CCC[C@H]1CCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000185859365 625478171 /nfs/dbraw/zinc/47/81/71/625478171.db2.gz LJRBODPSIZECND-HNNXBMFYSA-N 1 0 299.418 3.051 50 0 CGAARO Cc1c(CO)cccc1-c1ccc(C[NH+](C)C)s1 ZINC000904864148 622012795 /nfs/dbraw/zinc/01/27/95/622012795.db2.gz BFWJDCMXRWZCAY-UHFFFAOYSA-N 1 0 261.390 3.277 50 0 CGAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C1CCCC1 ZINC000011841727 625963788 /nfs/dbraw/zinc/96/37/88/625963788.db2.gz JNMLTRBNHSULAY-LBPRGKRZSA-N 1 0 282.391 3.440 50 0 CGAARO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C2(Cl)CC2)c1 ZINC000863983304 629721789 /nfs/dbraw/zinc/72/17/89/629721789.db2.gz FPWFXLPSSYIDTL-GFCCVEGCSA-N 1 0 294.826 3.076 50 0 CGAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1ccc(Cl)s1 ZINC000952966524 636775332 /nfs/dbraw/zinc/77/53/32/636775332.db2.gz XCVHFPWPVYIBDN-UHFFFAOYSA-N 1 0 269.801 3.074 50 0 CGAARO C[C@](CO)(C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000585083642 799675887 /nfs/dbraw/zinc/67/58/87/799675887.db2.gz VEFPKMICFBFMDN-QGZVFWFLSA-N 1 0 261.409 3.107 50 0 CGAARO Cc1occc1C[NH2+]Cc1cccc(C2(C)OCCO2)c1 ZINC000585118698 799678099 /nfs/dbraw/zinc/67/80/99/799678099.db2.gz YWDPPOPRYMFWNL-UHFFFAOYSA-N 1 0 287.359 3.097 50 0 CGAARO CSc1ncc(C[NH2+]Cc2cccc(SC)c2)n1C ZINC000952867892 800685216 /nfs/dbraw/zinc/68/52/16/800685216.db2.gz VLIJYKMXOVPGJA-UHFFFAOYSA-N 1 0 293.461 3.154 50 0 CGAARO COc1cc(C[C@H](C)[NH2+]CCc2ccccc2)ccc1O ZINC000023280943 926834786 /nfs/dbraw/zinc/83/47/86/926834786.db2.gz JFCHBNLEUBXAEA-AWEZNQCLSA-N 1 0 285.387 3.164 50 0 CGAARO c1cc(C[NH+]2CCCCC2)sc1CNc1cnccn1 ZINC000032541217 927575697 /nfs/dbraw/zinc/57/56/97/927575697.db2.gz UFARTLJJRODCGR-UHFFFAOYSA-N 1 0 288.420 3.136 50 0 CGAARO CCC(=O)N1CCC(n2c(C)c[nH+]c2C2CCC2)CC1 ZINC000409419861 932025338 /nfs/dbraw/zinc/02/53/38/932025338.db2.gz YPXBIPBVRMMTKR-UHFFFAOYSA-N 1 0 275.396 3.033 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2(c3ccc(C)cc3)CC2)n1 ZINC001506396037 937989411 /nfs/dbraw/zinc/98/94/11/937989411.db2.gz GEVVCCLXNQBGQF-OAHLLOKOSA-N 1 0 283.419 3.476 50 0 CGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1C ZINC001506421272 937990028 /nfs/dbraw/zinc/99/00/28/937990028.db2.gz IJJDIODVYOMRLV-LLVKDONJSA-N 1 0 296.842 3.431 50 0 CGAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)C[C@H](C)O ZINC000096478153 230380067 /nfs/dbraw/zinc/38/00/67/230380067.db2.gz RMKJHCSYIKQXJJ-WOPDTQHZSA-N 1 0 255.789 3.398 50 0 CGAARO Fc1ccc(F)c([C@H]([NH2+]C2CCOCC2)C2CC2)c1 ZINC000096478836 230380152 /nfs/dbraw/zinc/38/01/52/230380152.db2.gz STXREHUARXHKOA-OAHLLOKOSA-N 1 0 267.319 3.185 50 0 CGAARO CC(C)OCc1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000095967332 185046327 /nfs/dbraw/zinc/04/63/27/185046327.db2.gz MSEXHCSLFOIWMZ-HNNXBMFYSA-N 1 0 265.422 3.207 50 0 CGAARO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095968334 185046597 /nfs/dbraw/zinc/04/65/97/185046597.db2.gz VSLIYFHEASXTKQ-IUODEOHRSA-N 1 0 268.376 3.059 50 0 CGAARO COC(=O)Nc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000095967324 185047184 /nfs/dbraw/zinc/04/71/84/185047184.db2.gz OKSDTESQZRTHRI-UHFFFAOYSA-N 1 0 274.364 3.143 50 0 CGAARO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969286 185047373 /nfs/dbraw/zinc/04/73/73/185047373.db2.gz JXVOGVSWFKZSQG-DZGCQCFKSA-N 1 0 289.375 3.279 50 0 CGAARO CC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000095969185 185047382 /nfs/dbraw/zinc/04/73/82/185047382.db2.gz XUCGUSPFUFUUOW-ZDUSSCGKSA-N 1 0 294.464 3.356 50 0 CGAARO Cc1cnc(CC[NH2+][C@H]2CCc3ccccc3C2)s1 ZINC000095968534 185047541 /nfs/dbraw/zinc/04/75/41/185047541.db2.gz SKKFHLPRJSAVAI-HNNXBMFYSA-N 1 0 272.417 3.141 50 0 CGAARO CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000095969184 185047670 /nfs/dbraw/zinc/04/76/70/185047670.db2.gz XUCGUSPFUFUUOW-CYBMUJFWSA-N 1 0 294.464 3.356 50 0 CGAARO C[C@@H](c1nc2ccccc2o1)[N@H+](C)CCc1ccccn1 ZINC000095994233 185059344 /nfs/dbraw/zinc/05/93/44/185059344.db2.gz SDDWAROJQSQSHX-ZDUSSCGKSA-N 1 0 281.359 3.458 50 0 CGAARO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnc(SC(C)(C)C)c1 ZINC000095995902 185060106 /nfs/dbraw/zinc/06/01/06/185060106.db2.gz PTRKUSKIWZERIP-WCQYABFASA-N 1 0 280.437 3.239 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000004990122 344860381 /nfs/dbraw/zinc/86/03/81/344860381.db2.gz VFSCAXGPMNIWEZ-BQFCYCMXSA-N 1 0 287.403 3.339 50 0 CGAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc1 ZINC000043164432 344995287 /nfs/dbraw/zinc/99/52/87/344995287.db2.gz PDAYATZXUZFRMY-BBRMVZONSA-N 1 0 276.449 3.077 50 0 CGAARO Cc1noc(C)c1CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000097099077 282382298 /nfs/dbraw/zinc/38/22/98/282382298.db2.gz RJZOKMNYXFPFOA-WBMJQRKESA-N 1 0 262.397 3.416 50 0 CGAARO Cc1cccc(NC2CC[NH+](CCCc3cn[nH]c3)CC2)c1 ZINC000078950261 345625781 /nfs/dbraw/zinc/62/57/81/345625781.db2.gz JUDCDWAPRMKYEV-UHFFFAOYSA-N 1 0 298.434 3.227 50 0 CGAARO CC[NH+](CC)CC(=O)C1(c2ccccc2)CCCC1 ZINC000096028012 345901780 /nfs/dbraw/zinc/90/17/80/345901780.db2.gz ZUCFALRDHOZWLW-UHFFFAOYSA-N 1 0 259.393 3.409 50 0 CGAARO COC(=O)c1cccc(CC[N@H+](C)CCc2ccccc2)c1 ZINC000096027697 345902056 /nfs/dbraw/zinc/90/20/56/345902056.db2.gz UVCNPHADLVPOEZ-UHFFFAOYSA-N 1 0 297.398 3.190 50 0 CGAARO COCc1ccc([C@H]2CCC[N@@H+]2CC2(O)CCCCC2)o1 ZINC000131298577 346063911 /nfs/dbraw/zinc/06/39/11/346063911.db2.gz RFZJGVDXXYIEBG-OAHLLOKOSA-N 1 0 293.407 3.258 50 0 CGAARO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000161957073 346177283 /nfs/dbraw/zinc/17/72/83/346177283.db2.gz YSAJLKRVWAIHRD-RJVCPDIVSA-N 1 0 291.819 3.287 50 0 CGAARO c1ncc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000157430799 346161441 /nfs/dbraw/zinc/16/14/41/346161441.db2.gz AGLDJQDUQNWWST-HIFRSBDPSA-N 1 0 274.389 3.153 50 0 CGAARO c1ccc([C@@H]([NH2+]CCC2=CCOCC2)c2ccncc2)cc1 ZINC000195553883 346272870 /nfs/dbraw/zinc/27/28/70/346272870.db2.gz JSDBGSGTNXOJEN-LJQANCHMSA-N 1 0 294.398 3.497 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]CCc1nc2ccccc2o1 ZINC000584894780 346722752 /nfs/dbraw/zinc/72/27/52/346722752.db2.gz SPZUCCPOGUHBJZ-GFCCVEGCSA-N 1 0 276.380 3.164 50 0 CGAARO c1cc(C[NH+]2CCC(Oc3ccncc3)CC2)cs1 ZINC000584902081 346723411 /nfs/dbraw/zinc/72/34/11/346723411.db2.gz RENCHAANVAVTOX-UHFFFAOYSA-N 1 0 274.389 3.187 50 0 CGAARO COc1cccc(-c2ccc(-c3c[nH]c(N)[nH+]3)cc2)c1OC ZINC000584903769 346723800 /nfs/dbraw/zinc/72/38/00/346723800.db2.gz NEXABONLJBWGMU-UHFFFAOYSA-N 1 0 295.342 3.173 50 0 CGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](CCc2ccccn2)C1 ZINC000091381667 180144259 /nfs/dbraw/zinc/14/42/59/180144259.db2.gz YYGBYVPRTTYMTD-GOSISDBHSA-N 1 0 288.435 3.055 50 0 CGAARO COC1(C[NH2+][C@@H](c2ccccc2)C(C)C)CCOCC1 ZINC000091401429 180147061 /nfs/dbraw/zinc/14/70/61/180147061.db2.gz TVAAYCOEMWWPNA-MRXNPFEDSA-N 1 0 277.408 3.169 50 0 CGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1nccs1)C2 ZINC000091820384 180264117 /nfs/dbraw/zinc/26/41/17/180264117.db2.gz DTZMMTVDROVHEF-ZIAGYGMSSA-N 1 0 277.437 3.010 50 0 CGAARO COCCC[C@@]1(CO)CCC[N@H+](Cc2sccc2C)C1 ZINC000091950670 180291369 /nfs/dbraw/zinc/29/13/69/180291369.db2.gz RTHGQSULGIUOKX-INIZCTEOSA-N 1 0 297.464 3.058 50 0 CGAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1cn2ccccc2n1 ZINC000110642426 186308993 /nfs/dbraw/zinc/30/89/93/186308993.db2.gz IPYKMTAWIGWYEB-UONOGXRCSA-N 1 0 275.421 3.050 50 0 CGAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1c(C)noc1C ZINC000110642471 186309076 /nfs/dbraw/zinc/30/90/76/186309076.db2.gz CPKVBTLGXYSVEX-CHWSQXEVSA-N 1 0 254.399 3.007 50 0 CGAARO Ic1ccccc1[C@H]1CCCC[NH2+]1 ZINC000002545042 283041565 /nfs/dbraw/zinc/04/15/65/283041565.db2.gz SIKBDSQZWPSXMA-LLVKDONJSA-N 1 0 287.144 3.106 50 0 CGAARO C[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)c2ccsc2S1 ZINC000089497025 291082645 /nfs/dbraw/zinc/08/26/45/291082645.db2.gz BZCUSSZUFLTGGY-GXFFZTMASA-N 1 0 282.478 3.357 50 0 CGAARO CC(C)n1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cn1 ZINC000191666059 189602263 /nfs/dbraw/zinc/60/22/63/189602263.db2.gz WBQKCOWUGFPAMI-MRXNPFEDSA-N 1 0 285.391 3.337 50 0 CGAARO C[N@H+](CCc1ccncc1)Cc1coc(-c2ccccc2)n1 ZINC000121514615 370868419 /nfs/dbraw/zinc/86/84/19/370868419.db2.gz RZPWOZQJHCFDDP-UHFFFAOYSA-N 1 0 293.370 3.411 50 0 CGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C(C)(C)C)c2ccccc12 ZINC000000205546 368315450 /nfs/dbraw/zinc/31/54/50/368315450.db2.gz LJVLMQQEADLEEU-CQSZACIVSA-N 1 0 274.408 3.007 50 0 CGAARO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000000237855 368321794 /nfs/dbraw/zinc/32/17/94/368321794.db2.gz OYYKBYTXZIPWGD-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO [NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000057128 368279760 /nfs/dbraw/zinc/27/97/60/368279760.db2.gz WKPDXBXNJWWWGQ-UHFFFAOYSA-N 1 0 266.344 3.248 50 0 biogenic,in-vivo CGAARO COc1ccc(C[NH2+]Cc2ccc(F)cc2)c(OC)c1 ZINC000000172162 368308038 /nfs/dbraw/zinc/30/80/38/368308038.db2.gz HFZRYLWOZNPVRW-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc(F)cc1 ZINC000000176617 368309583 /nfs/dbraw/zinc/30/95/83/368309583.db2.gz HZIXCVKEQANGLW-UHFFFAOYSA-N 1 0 264.344 3.030 50 0 CGAARO C[C@H]1Cc2c3ccccc3[nH]c2[C@@]2(CNc3ccccc32)[NH2+]1 ZINC000000518640 368382259 /nfs/dbraw/zinc/38/22/59/368382259.db2.gz APRJFLZRSMYBET-BUXKBTBVSA-N 1 0 289.382 3.371 50 0 biogenic CGAARO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1 ZINC000001901930 368442136 /nfs/dbraw/zinc/44/21/36/368442136.db2.gz UGMRTWWXYQCHGT-AEFFLSMTSA-N 1 0 299.414 3.037 50 0 CGAARO C[NH+](C)CCOC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000001995791 368443109 /nfs/dbraw/zinc/44/31/09/368443109.db2.gz FAEYKPJTNIFJLJ-OBGWFSINSA-N 1 0 295.382 3.332 50 0 CGAARO [NH3+]CCc1c[nH]c2ccc(Oc3ccccc3)cc12 ZINC000002010930 368443174 /nfs/dbraw/zinc/44/31/74/368443174.db2.gz ZURXROHPCVOMGH-UHFFFAOYSA-N 1 0 252.317 3.461 50 0 CGAARO CC[C@@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000002822494 368479696 /nfs/dbraw/zinc/47/96/96/368479696.db2.gz QOQZDQLSJNCRDV-SNVBAGLBSA-N 1 0 272.186 3.216 50 0 CGAARO COc1ccc(NC(=O)[C@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000003233399 368497735 /nfs/dbraw/zinc/49/77/35/368497735.db2.gz YQSSBJBQQPLIKC-ZDUSSCGKSA-N 1 0 290.407 3.192 50 0 CGAARO O=C(c1ccccc1)c1cc[n+](Cc2ccccc2)cc1 ZINC000004180490 368534720 /nfs/dbraw/zinc/53/47/20/368534720.db2.gz GYWDTHHPXIBOJK-UHFFFAOYSA-N 1 0 274.343 3.253 50 0 CGAARO COc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000004031032 368527427 /nfs/dbraw/zinc/52/74/27/368527427.db2.gz KBSIDOFHGNVUBC-UHFFFAOYSA-N 1 0 284.197 3.490 50 0 CGAARO Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004028521 368527520 /nfs/dbraw/zinc/52/75/20/368527520.db2.gz YTVGUBSDSFLWKV-DLBZAZTESA-N 1 0 287.403 3.416 50 0 biogenic CGAARO CC[n+]1ccccc1/C=C/c1ccc(OC)c(OC)c1 ZINC000004774998 368558495 /nfs/dbraw/zinc/55/84/95/368558495.db2.gz TXPQICNVODYCSE-CSKARUKUSA-N 1 0 270.352 3.182 50 0 CGAARO Clc1cccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000004294904 368541869 /nfs/dbraw/zinc/54/18/69/368541869.db2.gz DACYRJAMGBYLIQ-NSHDSACASA-N 1 0 295.795 3.440 50 0 CGAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](C)C1 ZINC000011817328 368596621 /nfs/dbraw/zinc/59/66/21/368596621.db2.gz KRKADJQTSGWDFN-JGZYNSJSSA-N 1 0 287.403 3.365 50 0 CGAARO O=C1CC2(CC[NH2+]CC2)Oc2c(Cl)cc(Cl)cc21 ZINC000011849206 368596670 /nfs/dbraw/zinc/59/66/70/368596670.db2.gz SIHQSABORGFHMT-UHFFFAOYSA-N 1 0 286.158 3.081 50 0 CGAARO Cc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000015456744 368696494 /nfs/dbraw/zinc/69/64/94/368696494.db2.gz NHJFYILQCWKOEF-OKILXGFUSA-N 1 0 260.406 3.499 50 0 CGAARO C[n+]1cccc(/C=C2/c3ccccc3-c3ncccc32)c1 ZINC000015636559 368699856 /nfs/dbraw/zinc/69/98/56/368699856.db2.gz MXWWMNMDDHDEHQ-PDGQHHTCSA-N 1 0 271.343 3.475 50 0 CGAARO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000015831612 368703722 /nfs/dbraw/zinc/70/37/22/368703722.db2.gz ZITJIBGGXVVJLA-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO CCOc1ccc([NH+]=C2NC(=N)c3ccccc32)cc1 ZINC000016156483 368709018 /nfs/dbraw/zinc/70/90/18/368709018.db2.gz GKRYJXOXIHYWPI-UHFFFAOYSA-N 1 0 265.316 3.283 50 0 CGAARO Brc1cccc(C[NH+]2CCCCC2)c1 ZINC000014193522 368678076 /nfs/dbraw/zinc/67/80/76/368678076.db2.gz HQVJFZUPPAXRCS-UHFFFAOYSA-N 1 0 254.171 3.435 50 0 CGAARO Clc1cccc(OC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000014631160 368682812 /nfs/dbraw/zinc/68/28/12/368682812.db2.gz HFHOAPPVWYCDCO-SECBINFHSA-N 1 0 260.164 3.372 50 0 CGAARO c1ccc(-c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631741 368684115 /nfs/dbraw/zinc/68/41/15/368684115.db2.gz YKKKYLQESSTGSD-QGZVFWFLSA-N 1 0 253.345 3.484 50 0 CGAARO COCCC[NH2+]Cc1ccc(OCCc2ccccc2)cc1 ZINC000019738583 368763050 /nfs/dbraw/zinc/76/30/50/368763050.db2.gz NMJCPNSBRDAFPE-UHFFFAOYSA-N 1 0 299.414 3.434 50 0 CGAARO c1ccc(C(C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000023281803 368820765 /nfs/dbraw/zinc/82/07/65/368820765.db2.gz BNQTXVDCMMVTFW-UHFFFAOYSA-N 1 0 267.372 3.151 50 0 CGAARO Cc1cccc(C(=O)NCc2ccccc2C[NH+](C)C)c1C ZINC000024084386 368829752 /nfs/dbraw/zinc/82/97/52/368829752.db2.gz IOWHBSCJYPRYSQ-UHFFFAOYSA-N 1 0 296.414 3.295 50 0 CGAARO CCC(CC)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019900109 368777207 /nfs/dbraw/zinc/77/72/07/368777207.db2.gz KXVAWPOEPANUKU-OAHLLOKOSA-N 1 0 250.430 3.149 50 0 CGAARO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC000020093799 368800571 /nfs/dbraw/zinc/80/05/71/368800571.db2.gz KLDQHLUZXCRJQO-SFHVURJKSA-N 1 0 284.403 3.088 50 0 CGAARO Clc1cccc(COCC[C@@H]2CCCC[NH2+]2)c1 ZINC000028522174 368886699 /nfs/dbraw/zinc/88/66/99/368886699.db2.gz OZNDYBGWULJTOM-AWEZNQCLSA-N 1 0 253.773 3.389 50 0 CGAARO C[C@H]([NH2+]Cc1cccnc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925571 368890440 /nfs/dbraw/zinc/89/04/40/368890440.db2.gz JZBLQLKSOLTTKX-ZDUSSCGKSA-N 1 0 295.386 3.281 50 0 CGAARO Clc1ccccc1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000030902079 368908096 /nfs/dbraw/zinc/90/80/96/368908096.db2.gz GTBCBMOWXDEZDX-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000032797319 368945111 /nfs/dbraw/zinc/94/51/11/368945111.db2.gz WBSNYTXTHVXBLZ-KRWDZBQOSA-N 1 0 298.386 3.149 50 0 CGAARO c1ccc(COc2cccc3c2CC[C@@]2(CC[NH2+]C2)O3)cc1 ZINC000036142074 369011996 /nfs/dbraw/zinc/01/19/96/369011996.db2.gz ZZLYCIYHHLTRAT-IBGZPJMESA-N 1 0 295.382 3.323 50 0 CGAARO CCOCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000036229059 369014016 /nfs/dbraw/zinc/01/40/16/369014016.db2.gz KGXLFXASDXNSPF-SNVBAGLBSA-N 1 0 272.186 3.136 50 0 CGAARO CN(Cc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000036301384 369015259 /nfs/dbraw/zinc/01/52/59/369015259.db2.gz CPVYWHPGHIOOSU-UHFFFAOYSA-N 1 0 273.207 3.177 50 0 CGAARO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1cccc(O)c1 ZINC000037775875 369108815 /nfs/dbraw/zinc/10/88/15/369108815.db2.gz BQYDUFMUVOAKRE-NSHDSACASA-N 1 0 277.314 3.391 50 0 CGAARO C[C@@H](C1CC1)[N@H+](CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000042123506 369201528 /nfs/dbraw/zinc/20/15/28/369201528.db2.gz ITEDPGCPPXPZHP-AWEZNQCLSA-N 1 0 298.430 3.229 50 0 CGAARO C[C@H](C1CC1)[N@H+](CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000042123507 369201466 /nfs/dbraw/zinc/20/14/66/369201466.db2.gz ITEDPGCPPXPZHP-CQSZACIVSA-N 1 0 298.430 3.229 50 0 CGAARO CCc1cc(OC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000042775817 369232181 /nfs/dbraw/zinc/23/21/81/369232181.db2.gz CPLAPTZSSHFLII-LLVKDONJSA-N 1 0 253.773 3.281 50 0 CGAARO CCCOc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773066 369230566 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CC[C@H](C)c1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000089942712 370052084 /nfs/dbraw/zinc/05/20/84/370052084.db2.gz XPMGWZIGKOWGRD-DMDPSCGWSA-N 1 0 266.410 3.192 50 0 CGAARO CC[N@H+](CCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000089969192 370053324 /nfs/dbraw/zinc/05/33/24/370053324.db2.gz YJNQUPWYVWOEAC-UHFFFAOYSA-N 1 0 275.801 3.177 50 0 CGAARO COc1ccc2ccccc2c1C[N@H+](C)C[C@H]1CCOC1 ZINC000093839693 370162964 /nfs/dbraw/zinc/16/29/64/370162964.db2.gz PNCQROWNBXUMSY-CQSZACIVSA-N 1 0 285.387 3.317 50 0 CGAARO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000097038958 370216114 /nfs/dbraw/zinc/21/61/14/370216114.db2.gz CJBFVHIHXNUDRZ-GFCCVEGCSA-N 1 0 283.437 3.004 50 0 CGAARO C[C@@H]1CC[C@@H]([NH2+]CCCCn2ccccc2=O)C[C@@H]1C ZINC000097146513 370231012 /nfs/dbraw/zinc/23/10/12/370231012.db2.gz UYJVYGDSPJPEHQ-OWCLPIDISA-N 1 0 276.424 3.043 50 0 CGAARO Cc1nccn1CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000097229948 370235096 /nfs/dbraw/zinc/23/50/96/370235096.db2.gz JGJFVNHVMBJDEL-YJBOKZPZSA-N 1 0 299.418 3.044 50 0 CGAARO CC[C@H]([NH2+]CCc1ccc(NC(C)=O)cc1)C(C)C ZINC000095421791 370187744 /nfs/dbraw/zinc/18/77/44/370187744.db2.gz ILZVBMSPUVOBKH-INIZCTEOSA-N 1 0 262.397 3.212 50 0 CGAARO Cc1cccc([C@H](C)[NH2+]Cc2ccccc2OCCO)c1 ZINC000095423125 370189783 /nfs/dbraw/zinc/18/97/83/370189783.db2.gz UDSFFPNOLMDCNJ-HNNXBMFYSA-N 1 0 285.387 3.217 50 0 CGAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCCO)CC2 ZINC000095423114 370189955 /nfs/dbraw/zinc/18/99/55/370189955.db2.gz QNYYZSIWGOVDQD-GOSISDBHSA-N 1 0 297.398 3.143 50 0 CGAARO CCOC[C@@H](C)[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422675 370190025 /nfs/dbraw/zinc/19/00/25/370190025.db2.gz KGBUUJDQPSLBLY-RNCFNFMXSA-N 1 0 292.206 3.041 50 0 CGAARO C[C@H](Cc1ccsc1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000095422972 370190425 /nfs/dbraw/zinc/19/04/25/370190425.db2.gz PRORUKHPIGRFIJ-RISCZKNCSA-N 1 0 281.446 3.238 50 0 CGAARO COCc1cccc(C[N@H+](C)[C@@H](C)CSC)c1 ZINC000095432392 370192917 /nfs/dbraw/zinc/19/29/17/370192917.db2.gz AEMWABDAKDRWPO-LBPRGKRZSA-N 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Cc1cc(-c2cccc(F)c2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000242547878 376780044 /nfs/dbraw/zinc/78/00/44/376780044.db2.gz KXJVFBQDDGBNEW-CYBMUJFWSA-N 1 0 271.339 3.058 50 0 CGAARO COc1c[nH]c(C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1=O ZINC000244796180 376796590 /nfs/dbraw/zinc/79/65/90/376796590.db2.gz RULNDFMSFMZXTL-CXAGYDPISA-N 1 0 290.407 3.196 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000252488040 377629916 /nfs/dbraw/zinc/62/99/16/377629916.db2.gz IHSOWLNLDATCGU-YRGRVCCFSA-N 1 0 279.453 3.061 50 0 CGAARO OCC[NH2+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000252498962 377632606 /nfs/dbraw/zinc/63/26/06/377632606.db2.gz RRVYOLCXOWHIJH-SFHVURJKSA-N 1 0 296.345 3.045 50 0 CGAARO CC[N@H+](C)C[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 ZINC000252509599 377635128 /nfs/dbraw/zinc/63/51/28/377635128.db2.gz YREBKURGCXNTJY-SNVBAGLBSA-N 1 0 288.222 3.166 50 0 CGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000253537098 377696823 /nfs/dbraw/zinc/69/68/23/377696823.db2.gz 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392256368 /nfs/dbraw/zinc/25/63/68/392256368.db2.gz RCTAZDWZYHPTQR-LIRRHRJNSA-N 1 0 281.465 3.063 50 0 CGAARO CC[C@@H]1CCC[C@H](C[N@H+](C)C2CCS(=O)CC2)C1 ZINC000097108477 392260906 /nfs/dbraw/zinc/26/09/06/392260906.db2.gz JPSBEXWPBVBWBQ-CZSZNVFWSA-N 1 0 271.470 3.046 50 0 CGAARO Cc1csc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)n1 ZINC000521396544 392927735 /nfs/dbraw/zinc/92/77/35/392927735.db2.gz XSJWYEUICDWNAZ-CQSZACIVSA-N 1 0 273.405 3.226 50 0 CGAARO CC(C)Cc1ccc(CN2CC[C@H]([NH+](C)C)C2)s1 ZINC000216527332 392990980 /nfs/dbraw/zinc/99/09/80/392990980.db2.gz BAEOSHJXNIKGAN-ZDUSSCGKSA-N 1 0 266.454 3.083 50 0 CGAARO C[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H](O)C1CC1 ZINC000585084568 542768977 /nfs/dbraw/zinc/76/89/77/542768977.db2.gz ACOHTKYGRUKSJS-INIZCTEOSA-N 1 0 287.359 3.275 50 0 CGAARO COc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000585093583 542769031 /nfs/dbraw/zinc/76/90/31/542769031.db2.gz GDNUDFLEBQKAIW-ZDUSSCGKSA-N 1 0 251.395 3.071 50 0 CGAARO COCC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000670462203 543156413 /nfs/dbraw/zinc/15/64/13/543156413.db2.gz XTDFHSXONMYWTJ-OAHLLOKOSA-N 1 0 284.403 3.483 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)nc1 ZINC000670459026 543156431 /nfs/dbraw/zinc/15/64/31/543156431.db2.gz FBVPBCCYMCERSJ-QGZVFWFLSA-N 1 0 298.434 3.061 50 0 CGAARO O[C@H]1/C(=C\c2ccc(C(F)(F)F)cc2)[NH+]2CCC1CC2 ZINC000001395996 296583627 /nfs/dbraw/zinc/58/36/27/296583627.db2.gz WPCZJSSIEMUSDD-KADHNRKRSA-N 1 0 283.293 3.133 50 0 CGAARO C[C@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000000056565 298508735 /nfs/dbraw/zinc/50/87/35/298508735.db2.gz INTCGJHAECYOBW-APWZRJJASA-N 1 0 283.415 3.315 50 0 CGAARO C[C@@H](c1ccncc1)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000091988730 165279675 /nfs/dbraw/zinc/27/96/75/165279675.db2.gz QGSZGZUWZUWIQZ-AWEZNQCLSA-N 1 0 282.387 3.252 50 0 CGAARO Cc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1C ZINC000092648801 165308782 /nfs/dbraw/zinc/30/87/82/165308782.db2.gz UYMXWMPEJZKFSR-UHFFFAOYSA-N 1 0 269.392 3.337 50 0 CGAARO CC[C@@H](C)[NH2+]CCOc1cccc(Br)c1 ZINC000002822080 169834570 /nfs/dbraw/zinc/83/45/70/169834570.db2.gz LPOKOQPUMRQAIR-SNVBAGLBSA-N 1 0 272.186 3.216 50 0 CGAARO COc1cc(C[NH3+])ccc1OCc1ccc(C)cc1 ZINC000004227544 169946050 /nfs/dbraw/zinc/94/60/50/169946050.db2.gz VJCYYWCAVIRBLK-UHFFFAOYSA-N 1 0 257.333 3.041 50 0 CGAARO C[C@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000004700878 170001492 /nfs/dbraw/zinc/00/14/92/170001492.db2.gz GSILAONZJUFGIM-WFASDCNBSA-N 1 0 294.826 3.238 50 0 CGAARO c1ccc2c(c1)nc(N1CCCC1)n2CC[NH+]1CCCCC1 ZINC000004701937 170002015 /nfs/dbraw/zinc/00/20/15/170002015.db2.gz UWBIHQRWRUIFAC-UHFFFAOYSA-N 1 0 298.434 3.122 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000004712162 170003703 /nfs/dbraw/zinc/00/37/03/170003703.db2.gz WSHXXAJVMARHCF-IYBDPMFKSA-N 1 0 287.451 3.024 50 0 CGAARO S=C(NCC[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000004749574 170011496 /nfs/dbraw/zinc/01/14/96/170011496.db2.gz VAAWZADYYMWUSR-UHFFFAOYSA-N 1 0 297.855 3.112 50 0 CGAARO C[C@@H]1CCC[N@H+](CCCCOc2cccc(C=O)c2)C1 ZINC000004841445 170027580 /nfs/dbraw/zinc/02/75/80/170027580.db2.gz IQJSXRPPDZJAPZ-OAHLLOKOSA-N 1 0 275.392 3.390 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccc(C=O)cc2)C1 ZINC000004841557 170028263 /nfs/dbraw/zinc/02/82/63/170028263.db2.gz SGHHQUAIGUKENJ-HUUCEWRRSA-N 1 0 275.392 3.246 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc(C)c1Cl ZINC000005052088 170061928 /nfs/dbraw/zinc/06/19/28/170061928.db2.gz LXMZZZVPZWEFEV-LBPRGKRZSA-N 1 0 285.815 3.085 50 0 CGAARO Cc1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@H](C)C3)c2c1 ZINC000005478264 170103023 /nfs/dbraw/zinc/10/30/23/170103023.db2.gz AWHFPIIUURGLSB-ZDUSSCGKSA-N 1 0 270.376 3.391 50 0 CGAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCCCC1 ZINC000005612869 170119804 /nfs/dbraw/zinc/11/98/04/170119804.db2.gz BOOWEMCSPIGOIA-MRXNPFEDSA-N 1 0 290.451 3.067 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC ZINC000005907271 170153821 /nfs/dbraw/zinc/15/38/21/170153821.db2.gz DGWKDOTVDYDRSH-SECBINFHSA-N 1 0 272.186 3.346 50 0 CGAARO COCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000006703977 170230665 /nfs/dbraw/zinc/23/06/65/170230665.db2.gz LXXSBKIOFZDKGK-UHFFFAOYSA-N 1 0 289.350 3.141 50 0 CGAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000006742745 170238157 /nfs/dbraw/zinc/23/81/57/170238157.db2.gz VNKQZICVIXMGNS-ZDUSSCGKSA-N 1 0 269.344 3.309 50 0 CGAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cccc2ccccc21 ZINC000012244772 170474476 /nfs/dbraw/zinc/47/44/76/170474476.db2.gz BQUPLTFDFJABDV-KRWDZBQOSA-N 1 0 296.414 3.330 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)C1CCCCC1)c1ccsc1 ZINC000012348627 170477726 /nfs/dbraw/zinc/47/77/26/170477726.db2.gz PEMPRNZWFUEBFJ-AWEZNQCLSA-N 1 0 280.437 3.047 50 0 CGAARO Cc1ccc(NC(=O)NCC(C)(C)[NH+](C)C)cc1Cl ZINC000012928223 170521493 /nfs/dbraw/zinc/52/14/93/170521493.db2.gz XHKMXBRUKKQLGT-UHFFFAOYSA-N 1 0 283.803 3.110 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000016579885 170702878 /nfs/dbraw/zinc/70/28/78/170702878.db2.gz KXTKSOARZRYVOU-UHFFFAOYSA-N 1 0 282.387 3.056 50 0 CGAARO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019945981 170936733 /nfs/dbraw/zinc/93/67/33/170936733.db2.gz DIIHGPYNGXGAAV-GOSISDBHSA-N 1 0 266.388 3.024 50 0 CGAARO c1cn(CCC[NH2+][C@@H]2CCSC2)c2ccccc12 ZINC000020188685 171053359 /nfs/dbraw/zinc/05/33/59/171053359.db2.gz ZGNMRJLYFLOALF-CQSZACIVSA-N 1 0 260.406 3.127 50 0 CGAARO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000020305534 171142363 /nfs/dbraw/zinc/14/23/63/171142363.db2.gz NZIRKSXWIPMIEW-IBGZPJMESA-N 1 0 280.415 3.359 50 0 CGAARO CCN1CC[NH+](CCCCSc2ccccc2)CC1 ZINC000020390325 171178641 /nfs/dbraw/zinc/17/86/41/171178641.db2.gz WKSWMOULCOEZMU-UHFFFAOYSA-N 1 0 278.465 3.196 50 0 CGAARO CCCOc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020593622 171262921 /nfs/dbraw/zinc/26/29/21/171262921.db2.gz YSFGRQMJBUZMMN-AWEZNQCLSA-N 1 0 263.381 3.386 50 0 CGAARO c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 ZINC000020653032 171268863 /nfs/dbraw/zinc/26/88/63/171268863.db2.gz YHRIJSVQQZOONY-UHFFFAOYSA-N 1 0 297.398 3.455 50 0 CGAARO Cc1ccnn1CCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020784576 171272490 /nfs/dbraw/zinc/27/24/90/171272490.db2.gz RTTRYYGKIPFJLZ-SFHVURJKSA-N 1 0 283.419 3.461 50 0 CGAARO Cn1nccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000020866746 171276819 /nfs/dbraw/zinc/27/68/19/171276819.db2.gz GOVFMOUYMSOFCZ-UHFFFAOYSA-N 1 0 287.382 3.014 50 0 CGAARO Fc1cccc(CN2c3ccccc3N3CCC[NH+]=C23)c1 ZINC000020890252 171278125 /nfs/dbraw/zinc/27/81/25/171278125.db2.gz XIPVASZKLUGJMK-UHFFFAOYSA-N 1 0 281.334 3.412 50 0 CGAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1 ZINC000021175285 171299054 /nfs/dbraw/zinc/29/90/54/171299054.db2.gz TWELJWNHAIBAQM-CQSZACIVSA-N 1 0 287.407 3.073 50 0 CGAARO CC(C)c1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000035268958 172092302 /nfs/dbraw/zinc/09/23/02/172092302.db2.gz SIQJQBIECZRYPS-UHFFFAOYSA-N 1 0 257.381 3.186 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255502 173065903 /nfs/dbraw/zinc/06/59/03/173065903.db2.gz SEFXUGDSQDTBHK-BXUZGUMPSA-N 1 0 280.799 3.447 50 0 CGAARO c1cc([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)n[nH]1 ZINC000285706234 196373008 /nfs/dbraw/zinc/37/30/08/196373008.db2.gz CZZREFZKSYKAOJ-INIZCTEOSA-N 1 0 278.359 3.295 50 0 CGAARO C[C@@H](CNc1ncnc2sccc21)C[NH+]1CCCCC1 ZINC000037999262 173961593 /nfs/dbraw/zinc/96/15/93/173961593.db2.gz CDLAIRMLGPHXFP-LBPRGKRZSA-N 1 0 290.436 3.225 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1cc(SC)ccc1C ZINC000040050426 174184843 /nfs/dbraw/zinc/18/48/43/174184843.db2.gz AJWPQSGOIFXDMC-UHFFFAOYSA-N 1 0 294.464 3.179 50 0 CGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000040267901 174218621 /nfs/dbraw/zinc/21/86/21/174218621.db2.gz HVLYTAAZCAOVQH-WBVHZDCISA-N 1 0 298.773 3.265 50 0 CGAARO CCN(CC)c1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042771284 174871047 /nfs/dbraw/zinc/87/10/47/174871047.db2.gz CNZLFEPKYVBOTN-HNNXBMFYSA-N 1 0 276.424 3.444 50 0 CGAARO COc1ccc(SCC[C@H]2CCCC[NH2+]2)cc1 ZINC000043499358 175058715 /nfs/dbraw/zinc/05/87/15/175058715.db2.gz LDYYWKLCSBVEGM-GFCCVEGCSA-N 1 0 251.395 3.320 50 0 CGAARO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000046054578 175391234 /nfs/dbraw/zinc/39/12/34/175391234.db2.gz WNAJESNRSHUEAY-YPMHNXCESA-N 1 0 261.369 3.102 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+]CCCNc1cccnc1)C2 ZINC000065407927 175732264 /nfs/dbraw/zinc/73/22/64/175732264.db2.gz BZJIXHZCQFFFAY-KRWDZBQOSA-N 1 0 281.403 3.031 50 0 CGAARO CCc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069699866 175848447 /nfs/dbraw/zinc/84/84/47/175848447.db2.gz SZXLHNSDDVDHFH-ZIAGYGMSSA-N 1 0 292.448 3.009 50 0 CGAARO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000071401344 176153324 /nfs/dbraw/zinc/15/33/24/176153324.db2.gz XCXNLAGTWZOHHM-MRXNPFEDSA-N 1 0 286.350 3.269 50 0 CGAARO Cc1ncc2c(n1)C[N@H+]([C@H]1CCCc3ccccc31)CC2 ZINC000071859680 176279965 /nfs/dbraw/zinc/27/99/65/176279965.db2.gz DCTYBIDVKQGISN-SFHVURJKSA-N 1 0 279.387 3.221 50 0 CGAARO Clc1ccccc1OC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072153630 176327738 /nfs/dbraw/zinc/32/77/38/176327738.db2.gz RXVRUUPEBZTWOC-CYBMUJFWSA-N 1 0 295.810 3.220 50 0 CGAARO Cc1nc(Cl)cc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072343861 176372164 /nfs/dbraw/zinc/37/21/64/176372164.db2.gz RJQGAJSJSMTNJW-NSHDSACASA-N 1 0 253.777 3.026 50 0 CGAARO c1cc2ccc(-c3noc(CC[NH+]4CCCCC4)n3)cc2[nH]1 ZINC000072405230 176397278 /nfs/dbraw/zinc/39/72/78/176397278.db2.gz AIPCMROYJHFZPD-UHFFFAOYSA-N 1 0 296.374 3.246 50 0 CGAARO COc1cccc(C[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000078552685 177353111 /nfs/dbraw/zinc/35/31/11/177353111.db2.gz JSAQYEDQICPECQ-UHFFFAOYSA-N 1 0 270.376 3.051 50 0 CGAARO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000235695065 224693336 /nfs/dbraw/zinc/69/33/36/224693336.db2.gz LAJDLJYEBXLCSU-JSGCOSHPSA-N 1 0 272.392 3.144 50 0 CGAARO c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676725 543857528 /nfs/dbraw/zinc/85/75/28/543857528.db2.gz DTCOQFMHFPHCRR-HUUCEWRRSA-N 1 0 289.423 3.081 50 0 CGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000685939697 544110338 /nfs/dbraw/zinc/11/03/38/544110338.db2.gz XSLQAIBXVGYWQJ-IMJJTQAJSA-N 1 0 287.403 3.184 50 0 CGAARO C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000685939757 544110356 /nfs/dbraw/zinc/11/03/56/544110356.db2.gz KCGWWFAOCNXXLC-XOYOTBSWSA-N 1 0 273.420 3.416 50 0 CGAARO FCC1(CF)CC([NH2+]CCCNc2ccccc2)C1 ZINC000657888701 419407554 /nfs/dbraw/zinc/40/75/54/419407554.db2.gz VMLCDCHOKCIDOS-UHFFFAOYSA-N 1 0 268.351 3.166 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757552 260128101 /nfs/dbraw/zinc/12/81/01/260128101.db2.gz LAEGLZHANONKKC-SJKOYZFVSA-N 1 0 298.361 3.430 50 0 CGAARO C[NH+](C)[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000071789859 273818416 /nfs/dbraw/zinc/81/84/16/273818416.db2.gz ALROKAKJPVGNST-JTQLQIEISA-N 1 0 293.208 3.349 50 0 CGAARO Clc1ccc([C@@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000011802765 274881883 /nfs/dbraw/zinc/88/18/83/274881883.db2.gz ORAPMHJWOAITSR-HNNXBMFYSA-N 1 0 259.736 3.411 50 0 CGAARO c1ccc2c(c1)CSc1ccccc1[C@H]2C1=[NH+]CCN1 ZINC000000346489 275070228 /nfs/dbraw/zinc/07/02/28/275070228.db2.gz HBQNDKWJHWTOSZ-INIZCTEOSA-N 1 0 280.396 3.426 50 0 CGAARO CCSC1(C[NH2+][C@H](C)c2ccncc2)CCOCC1 ZINC000096489820 276394314 /nfs/dbraw/zinc/39/43/14/276394314.db2.gz SSRJFHYNFLFQAM-CYBMUJFWSA-N 1 0 280.437 3.035 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011617120 277948302 /nfs/dbraw/zinc/94/83/02/277948302.db2.gz UGFKGDCZWPHAQX-XDNAFOTISA-N 1 0 297.483 3.311 50 0 biogenic CGAARO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000252477690 280335711 /nfs/dbraw/zinc/33/57/11/280335711.db2.gz UCZMUBNNVLLJJI-GBJTYRQASA-N 1 0 266.429 3.039 50 0 CGAARO Cc1cccc([C@H]([NH2+]C2CCOCC2)c2ccccn2)c1 ZINC000090946718 281255413 /nfs/dbraw/zinc/25/54/13/281255413.db2.gz KHNQLYHKEAINKE-SFHVURJKSA-N 1 0 282.387 3.248 50 0 CGAARO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000033026583 281333112 /nfs/dbraw/zinc/33/31/12/281333112.db2.gz YKPUJGQNMYNGOH-CQSZACIVSA-N 1 0 288.416 3.089 50 0 CGAARO Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(C)CC2)C1 ZINC000058173549 281362726 /nfs/dbraw/zinc/36/27/26/281362726.db2.gz UXWNLJYVBKGFDB-MRXNPFEDSA-N 1 0 286.419 3.000 50 0 CGAARO CCc1c(-c2ccc([C@@H](C)[NH+](C)C)cc2)cnn1C ZINC000426649449 281363643 /nfs/dbraw/zinc/36/36/43/281363643.db2.gz CXDGZUIOTCQTGN-GFCCVEGCSA-N 1 0 257.381 3.272 50 0 CGAARO Cc1nccn1C[C@@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC000534587190 328315851 /nfs/dbraw/zinc/31/58/51/328315851.db2.gz LIDJUGDKJQZRBC-CQSZACIVSA-N 1 0 269.392 3.167 50 0 CGAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000001298963 326794025 /nfs/dbraw/zinc/79/40/25/326794025.db2.gz PZMAHNDJABQWGS-LJQANCHMSA-N 1 0 293.410 3.264 50 0 in-man CGAARO COc1cc(C[NH2+]Cc2c[nH]c3ccccc23)cc(OC)c1 ZINC000004996635 522462339 /nfs/dbraw/zinc/46/23/39/522462339.db2.gz IJQBHXLFMUPLIO-UHFFFAOYSA-N 1 0 296.370 3.475 50 0 CGAARO Cc1csc(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447536 534819683 /nfs/dbraw/zinc/81/96/83/534819683.db2.gz XWOQMFSBEUMQAG-ZFWWWQNUSA-N 1 0 274.389 3.071 50 0 CGAARO CCCC[C@@H]([NH2+]Cc1ccc(CO)o1)c1cccnc1 ZINC000952984458 614478399 /nfs/dbraw/zinc/47/83/99/614478399.db2.gz VZBZTZKHMPTDTA-MRXNPFEDSA-N 1 0 274.364 3.188 50 0 CGAARO CCCc1nc(C)c(C[NH2+][C@H](C)CCn2cccn2)s1 ZINC000952974735 614492981 /nfs/dbraw/zinc/49/29/81/614492981.db2.gz OWVNXWDGCBLSGR-GFCCVEGCSA-N 1 0 292.452 3.169 50 0 CGAARO CC1(C)[C@@H]2C[C@H]1C(C[NH2+]Cc1cccc(CO)c1)=CC2 ZINC000952982148 614866715 /nfs/dbraw/zinc/86/67/15/614866715.db2.gz VOXHBXNBZFZTAZ-IRXDYDNUSA-N 1 0 271.404 3.261 50 0 CGAARO C[N@@H+](Cc1cccc2ncccc12)C[C@H]1CC[C@H](O)CC1 ZINC000257372090 619068881 /nfs/dbraw/zinc/06/88/81/619068881.db2.gz KWYICSPMXHYLAW-KOMQPUFPSA-N 1 0 284.403 3.218 50 0 CGAARO [NH3+]C[C@@H]1Cc2c(ccc3cc(-c4ccncc4)ccc23)O1 ZINC000067847638 624654705 /nfs/dbraw/zinc/65/47/05/624654705.db2.gz FRCVBCSVZSWUOA-HNNXBMFYSA-N 1 0 276.339 3.164 50 0 CGAARO CC(C)c1noc(CC[NH2+][C@@H](C)c2cccc(F)c2F)n1 ZINC000183294840 625060024 /nfs/dbraw/zinc/06/00/24/625060024.db2.gz KQHLJTHAPWAVIX-JTQLQIEISA-N 1 0 295.333 3.365 50 0 CGAARO Cc1ccc(N[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1C ZINC000012314959 626003329 /nfs/dbraw/zinc/00/33/29/626003329.db2.gz NGBCDBOVTLQPCH-QGZVFWFLSA-N 1 0 288.435 3.359 50 0 CGAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1([S@](C)=O)CC1 ZINC000863983902 629721123 /nfs/dbraw/zinc/72/11/23/629721123.db2.gz MVRJFQXSWZMZOT-IAISJRAMSA-N 1 0 269.454 3.012 50 0 CGAARO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000191665891 640326738 /nfs/dbraw/zinc/32/67/38/640326738.db2.gz ZOGMNDZYGIVBOC-MRXNPFEDSA-N 1 0 293.370 3.436 50 0 CGAARO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000191665877 640327586 /nfs/dbraw/zinc/32/75/86/640327586.db2.gz ZOGMNDZYGIVBOC-INIZCTEOSA-N 1 0 293.370 3.436 50 0 CGAARO Cc1c[nH+]ccc1N1CC[C@H](COCc2ccccc2)C1 ZINC000191981388 640342670 /nfs/dbraw/zinc/34/26/70/640342670.db2.gz HYKWIWOOCGPCIM-KRWDZBQOSA-N 1 0 282.387 3.433 50 0 CGAARO C[C@H]1C[N@H+](CC2CC2)Cc2cc(Cl)ccc2O1 ZINC000014991605 640972907 /nfs/dbraw/zinc/97/29/07/640972907.db2.gz FQSRCBKHYACOTB-JTQLQIEISA-N 1 0 251.757 3.333 50 0 CGAARO c1ccc(CCC[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000015686593 640985461 /nfs/dbraw/zinc/98/54/61/640985461.db2.gz DDAJMQSQDWUMOC-UHFFFAOYSA-N 1 0 283.371 3.180 50 0 CGAARO CC(C)Cc1ccc(C[N@H+](C)CC2(C)COC2)s1 ZINC000821460006 800457045 /nfs/dbraw/zinc/45/70/45/800457045.db2.gz WCVRDZBSKRJDLW-UHFFFAOYSA-N 1 0 267.438 3.415 50 0 CGAARO CSC(C)(C)C[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000824870966 800472985 /nfs/dbraw/zinc/47/29/85/800472985.db2.gz BQXLZQWPFSXNQS-LBPRGKRZSA-N 1 0 252.427 3.400 50 0 CGAARO COC(=O)C(C)(C)[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000952884371 800687072 /nfs/dbraw/zinc/68/70/72/800687072.db2.gz ZJAZPCMCWWSXRU-KGLIPLIRSA-N 1 0 293.432 3.022 50 0 CGAARO CC(C)(C)C1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000023282547 926834686 /nfs/dbraw/zinc/83/46/86/926834686.db2.gz FLJPFPGNZUVZNR-YMAMQOFZSA-N 1 0 253.430 3.438 50 0 CGAARO CNc1nc(NCCCc2ccccc2F)cc(C)[nH+]1 ZINC001506418563 937989941 /nfs/dbraw/zinc/98/99/41/937989941.db2.gz RKFPSJUUUZJRMK-UHFFFAOYSA-N 1 0 274.343 3.011 50 0 CGAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1C ZINC001506421278 937990108 /nfs/dbraw/zinc/99/01/08/937990108.db2.gz IJJDIODVYOMRLV-NSHDSACASA-N 1 0 296.842 3.431 50 0 CGAARO CCc1ccc(OCCC[N@H+](C)Cc2cnc(C)cn2)cc1 ZINC001506421362 937990115 /nfs/dbraw/zinc/99/01/15/937990115.db2.gz HNPFYIZEOSZOHG-UHFFFAOYSA-N 1 0 299.418 3.248 50 0 CGAARO Cc1cc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)no1 ZINC001506427800 937990167 /nfs/dbraw/zinc/99/01/67/937990167.db2.gz SWBASUWWESBEMH-UHFFFAOYSA-N 1 0 299.418 3.358 50 0 CGAARO Cc1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccc12 ZINC001506425891 937990207 /nfs/dbraw/zinc/99/02/07/937990207.db2.gz SISPUPPCVMMQHG-OAHLLOKOSA-N 1 0 296.418 3.003 50 0 CGAARO c1ccc2c(c1)C[C@H](C[NH+]1CC(c3cccnc3)C1)CCO2 ZINC000095523764 185003702 /nfs/dbraw/zinc/00/37/02/185003702.db2.gz NEOSKGUQXMQHJT-OAHLLOKOSA-N 1 0 294.398 3.122 50 0 CGAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cccs1 ZINC000095978210 185052167 /nfs/dbraw/zinc/05/21/67/185052167.db2.gz NLGAIOBRWHQNBL-CMPLNLGQSA-N 1 0 267.419 3.411 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000095990121 185057690 /nfs/dbraw/zinc/05/76/90/185057690.db2.gz ZBMYZPVYYMFPQW-NWDGAFQWSA-N 1 0 254.399 3.055 50 0 CGAARO CN(C(=O)c1ccc(C[NH3+])o1)c1ccc2ccccc2c1 ZINC000097019757 185152981 /nfs/dbraw/zinc/15/29/81/185152981.db2.gz DSNNKEYPAHPDPK-UHFFFAOYSA-N 1 0 280.327 3.168 50 0 CGAARO COc1ccc2oc(C[NH2+]C(C)(C)c3cnn(C)c3)cc2c1 ZINC000097022820 185153582 /nfs/dbraw/zinc/15/35/82/185153582.db2.gz FDGQHOKYEOIUDE-UHFFFAOYSA-N 1 0 299.374 3.200 50 0 CGAARO O[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000097033247 185156026 /nfs/dbraw/zinc/15/60/26/185156026.db2.gz AAJGXXSNWOEAMZ-HUUCEWRRSA-N 1 0 275.323 3.119 50 0 CGAARO CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)C1CC1 ZINC000096476726 529601163 /nfs/dbraw/zinc/60/11/63/529601163.db2.gz XBGXRIIWGAEPDY-ZDUSSCGKSA-N 1 0 257.381 3.274 50 0 CGAARO CCc1nc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n(C)n1 ZINC000426510349 529704345 /nfs/dbraw/zinc/70/43/45/529704345.db2.gz PBLGVIOIRQMGLT-CYBMUJFWSA-N 1 0 284.407 3.201 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128148 344947720 /nfs/dbraw/zinc/94/77/20/344947720.db2.gz RKGKCDFDJNBDIN-CQSZACIVSA-N 1 0 273.405 3.353 50 0 CGAARO Cc1noc(C)c1CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000097099088 185531376 /nfs/dbraw/zinc/53/13/76/185531376.db2.gz RJZOKMNYXFPFOA-LRDDRELGSA-N 1 0 262.397 3.416 50 0 CGAARO CC[C@@H]1C[N@H+](Cc2cccc(N(C)C)c2)CCS1 ZINC000076072755 345532099 /nfs/dbraw/zinc/53/20/99/345532099.db2.gz UQZSEQOUFUDERE-OAHLLOKOSA-N 1 0 264.438 3.080 50 0 CGAARO C[N@H+](Cc1csc(Br)c1)C1CCOCC1 ZINC000095963087 345900796 /nfs/dbraw/zinc/90/07/96/345900796.db2.gz XSFREPAKNBUPQU-UHFFFAOYSA-N 1 0 290.226 3.121 50 0 CGAARO COc1ccc(C[C@@H](C[NH+](C)C)C(=O)c2ccccc2)cc1 ZINC000096027124 345901758 /nfs/dbraw/zinc/90/17/58/345901758.db2.gz AQJULULEOVEGFR-KRWDZBQOSA-N 1 0 297.398 3.298 50 0 CGAARO CCC[N@@H+]1CCCC[C@@H]1c1nncn1-c1ccccc1 ZINC000097941591 345909564 /nfs/dbraw/zinc/90/95/64/345909564.db2.gz PNNDZLVQHDTLID-OAHLLOKOSA-N 1 0 270.380 3.204 50 0 CGAARO O=C1CCCN1CCC[NH2+][C@H]1CCCCC12CCCCC2 ZINC000170079230 346193697 /nfs/dbraw/zinc/19/36/97/346193697.db2.gz OKJXYVXUAPJGSN-INIZCTEOSA-N 1 0 292.467 3.482 50 0 CGAARO CC[C@@]1(C)CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000170048939 346193717 /nfs/dbraw/zinc/19/37/17/346193717.db2.gz SZWWYLZATVJVOG-MMNRESRNSA-N 1 0 292.467 3.336 50 0 CGAARO CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@@H]1C ZINC000170599721 346194256 /nfs/dbraw/zinc/19/42/56/346194256.db2.gz HWIZVTDPTLYHPI-ZIAGYGMSSA-N 1 0 284.407 3.103 50 0 CGAARO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000221993272 346298253 /nfs/dbraw/zinc/29/82/53/346298253.db2.gz TVRLPQZGCRSWMH-UMVBOHGHSA-N 1 0 279.453 3.061 50 0 CGAARO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000085670546 179111336 /nfs/dbraw/zinc/11/13/36/179111336.db2.gz ONGQGGNJMHLXFX-ZNMIVQPWSA-N 1 0 263.356 3.119 50 0 CGAARO C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000393656513 346575993 /nfs/dbraw/zinc/57/59/93/346575993.db2.gz MVTOQJOOEKBQMJ-IXDOHACOSA-N 1 0 259.393 3.272 50 0 CGAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000409421140 346605206 /nfs/dbraw/zinc/60/52/06/346605206.db2.gz NEYWEZIPYOLRMQ-MRXNPFEDSA-N 1 0 289.423 3.244 50 0 CGAARO Cc1nn(C[C@@H](C)N(C)Cc2cscn2)c(C)c1Cl ZINC000584888341 346721555 /nfs/dbraw/zinc/72/15/55/346721555.db2.gz PBIFPIPJNGGMTN-SECBINFHSA-N 1 0 298.843 3.130 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(C3CC3)n[nH]2)cc1 ZINC000584888952 346722202 /nfs/dbraw/zinc/72/22/02/346722202.db2.gz OOAWETBTKWPNNI-CYBMUJFWSA-N 1 0 299.418 3.407 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]CCc1nc2ccccc2o1 ZINC000584894781 346723100 /nfs/dbraw/zinc/72/31/00/346723100.db2.gz SPZUCCPOGUHBJZ-LBPRGKRZSA-N 1 0 276.380 3.164 50 0 CGAARO Clc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000023542441 282527825 /nfs/dbraw/zinc/52/78/25/282527825.db2.gz XCCOKWREMIGIOM-HNNXBMFYSA-N 1 0 273.763 3.433 50 0 CGAARO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@]1(O)C1CC1 ZINC000091519432 180177969 /nfs/dbraw/zinc/17/79/69/180177969.db2.gz ZJLBETKCSFBMRK-BZNIZROVSA-N 1 0 297.801 3.462 50 0 CGAARO C[C@@H](CCc1ccco1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000271476127 191159809 /nfs/dbraw/zinc/15/98/09/191159809.db2.gz MPOXFVOQCGDZGW-LRDDRELGSA-N 1 0 277.339 3.063 50 0 CGAARO Cc1cc2[nH]c(C[NH2+][C@H]3CCCOC3)cc2c(C)c1 ZINC000336082590 212887782 /nfs/dbraw/zinc/88/77/82/212887782.db2.gz DELZFBWHEZYRRT-ZDUSSCGKSA-N 1 0 258.365 3.053 50 0 CGAARO CN(C)C(=O)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000183730429 189367045 /nfs/dbraw/zinc/36/70/45/189367045.db2.gz AHILGZVRIBJEBE-UHFFFAOYSA-N 1 0 294.398 3.214 50 0 CGAARO CCC[C@H](C)C[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000095467751 283811677 /nfs/dbraw/zinc/81/16/77/283811677.db2.gz YSLHUAYHDOFJAK-GZBFAFLISA-N 1 0 255.402 3.134 50 0 CGAARO C/C=C(\C)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000000219850 368318955 /nfs/dbraw/zinc/31/89/55/368318955.db2.gz SLCXSGMOJWIFAI-QLKAYGNNSA-N 1 0 264.800 3.428 50 0 CGAARO C[NH+](C)CCNc1cc(-c2ccco2)nc2ccccc21 ZINC000000018410 368271523 /nfs/dbraw/zinc/27/15/23/368271523.db2.gz CRGKLHXVNVZAPA-UHFFFAOYSA-N 1 0 281.359 3.468 50 0 CGAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000115863 368294029 /nfs/dbraw/zinc/29/40/29/368294029.db2.gz GQCOWSHWAHZTTJ-UHFFFAOYSA-N 1 0 275.179 3.320 50 0 CGAARO c1ccc(CN2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000000182009 368310293 /nfs/dbraw/zinc/31/02/93/368310293.db2.gz NMQVXTRNGHHKBR-UHFFFAOYSA-N 1 0 258.409 3.183 50 0 CGAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCC(C)CC2)c1 ZINC000000178143 368310561 /nfs/dbraw/zinc/31/05/61/368310561.db2.gz WGMWNVCJJTVHRB-UHFFFAOYSA-N 1 0 274.408 3.364 50 0 CGAARO CC(C)[NH2+]CC(=O)N(c1ccccc1)c1ccccc1 ZINC000000245708 368324213 /nfs/dbraw/zinc/32/42/13/368324213.db2.gz SADYMFQPVKIPEX-UHFFFAOYSA-N 1 0 268.360 3.349 50 0 CGAARO CC1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000000249937 368325652 /nfs/dbraw/zinc/32/56/52/368325652.db2.gz AHEYELADTAJUDK-QGZVFWFLSA-N 1 0 299.414 3.311 50 0 CGAARO C[N@H+](CCOC(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000000301732 368336923 /nfs/dbraw/zinc/33/69/23/368336923.db2.gz VTVMLLHUCHVGGD-UHFFFAOYSA-N 1 0 287.334 3.115 50 0 CGAARO CCOc1ccc(C(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000000375682 368351299 /nfs/dbraw/zinc/35/12/99/368351299.db2.gz MMLUVUAFMNHMLL-AWEZNQCLSA-N 1 0 291.391 3.117 50 0 CGAARO [NH3+][C@@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000000533385 368385189 /nfs/dbraw/zinc/38/51/89/368385189.db2.gz DAMLMDCTLYBKGT-LBPRGKRZSA-N 1 0 271.751 3.459 50 0 CGAARO O[C@@H]1/C(=C\c2ccc(C(F)(F)F)cc2)[NH+]2CCC1CC2 ZINC000001395994 368410119 /nfs/dbraw/zinc/41/01/19/368410119.db2.gz WPCZJSSIEMUSDD-SSUFTNFISA-N 1 0 283.293 3.133 50 0 CGAARO CC[C@@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000002018726 368443581 /nfs/dbraw/zinc/44/35/81/368443581.db2.gz CKWHSYRZDLWQFV-OAHLLOKOSA-N 1 0 263.381 3.065 50 0 in-man CGAARO O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000002651798 368470971 /nfs/dbraw/zinc/47/09/71/368470971.db2.gz YTTMUPXEJBJMBZ-SFHVURJKSA-N 1 0 280.371 3.034 50 0 CGAARO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000002760460 368476565 /nfs/dbraw/zinc/47/65/65/368476565.db2.gz PSLRVBIIROJKNC-UHFFFAOYSA-N 1 0 286.350 3.286 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000003291439 368499728 /nfs/dbraw/zinc/49/97/28/368499728.db2.gz UMYUOJPPUCNLQB-TXEJJXNPSA-N 1 0 297.345 3.449 50 0 CGAARO OCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000002861179 368483142 /nfs/dbraw/zinc/48/31/42/368483142.db2.gz OOLCQIIKYUWBEK-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO CC(C)(C)c1ccccc1OCCCCC[NH2+]CCO ZINC000002903274 368485236 /nfs/dbraw/zinc/48/52/36/368485236.db2.gz ZVKXCFPICVDNLS-UHFFFAOYSA-N 1 0 279.424 3.115 50 0 CGAARO COCCC[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000003003613 368488207 /nfs/dbraw/zinc/48/82/07/368488207.db2.gz CTLBWVHHMNUNLS-UHFFFAOYSA-N 1 0 265.397 3.123 50 0 CGAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000003367460 368505114 /nfs/dbraw/zinc/50/51/14/368505114.db2.gz ZEABISYUCLDQTI-GOSISDBHSA-N 1 0 299.414 3.339 50 0 CGAARO CC[C@H](C)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000004487199 368547510 /nfs/dbraw/zinc/54/75/10/368547510.db2.gz JYVRTPJCFCWSIG-VIFPVBQESA-N 1 0 265.744 3.278 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000010384179 368581221 /nfs/dbraw/zinc/58/12/21/368581221.db2.gz XSNYLZBFIFXSNR-RDJZCZTQSA-N 1 0 285.387 3.086 50 0 CGAARO C[C@H](c1ccccc1)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1 ZINC000013510707 368656141 /nfs/dbraw/zinc/65/61/41/368656141.db2.gz ODYIWFSYHAIAAO-OIISXLGYSA-N 1 0 275.392 3.018 50 0 CGAARO CCOc1ccccc1OC/C=C/C[NH+](CC)CC ZINC000016622082 368718988 /nfs/dbraw/zinc/71/89/88/368718988.db2.gz XIBLSRKNRUKEQT-MDZDMXLPSA-N 1 0 263.381 3.362 50 0 CGAARO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000016663061 368719577 /nfs/dbraw/zinc/71/95/77/368719577.db2.gz RTDCZUIPGZOYRU-ZDUSSCGKSA-N 1 0 263.381 3.468 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000017319505 368730965 /nfs/dbraw/zinc/73/09/65/368730965.db2.gz JHAOPKAYAKFOTI-LBPRGKRZSA-N 1 0 272.348 3.397 50 0 CGAARO CCN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000019635112 368758289 /nfs/dbraw/zinc/75/82/89/368758289.db2.gz VGEWHDGUJPVHPM-UHFFFAOYSA-N 1 0 294.442 3.456 50 0 CGAARO CCCCOc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000019633542 368759022 /nfs/dbraw/zinc/75/90/22/368759022.db2.gz NPAULTDWEBGYBH-UHFFFAOYSA-N 1 0 276.424 3.003 50 0 CGAARO COc1cccc(CC[NH2+]Cc2cccc(C)c2)c1 ZINC000019720504 368760114 /nfs/dbraw/zinc/76/01/14/368760114.db2.gz SOUNTTFFXCUUPD-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO Cc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019789319 368765898 /nfs/dbraw/zinc/76/58/98/368765898.db2.gz JMDUJHFQNGBJLG-UHFFFAOYSA-N 1 0 272.436 3.445 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1OC ZINC000025356936 368844376 /nfs/dbraw/zinc/84/43/76/368844376.db2.gz QMEVKBFMSDWYLN-HNNXBMFYSA-N 1 0 299.370 3.317 50 0 CGAARO CCOc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000024644536 368833562 /nfs/dbraw/zinc/83/35/62/368833562.db2.gz NBQZNWUOVDRECU-UHFFFAOYSA-N 1 0 298.386 3.399 50 0 CGAARO CC[N@@H+]1CCC[C@H]1CNc1nc2ccccc2s1 ZINC000020015371 368793706 /nfs/dbraw/zinc/79/37/06/368793706.db2.gz PLIFABXNXINWKC-NSHDSACASA-N 1 0 261.394 3.193 50 0 CGAARO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000029173049 368893445 /nfs/dbraw/zinc/89/34/45/368893445.db2.gz LMNGOQHMFAPWAB-NSHDSACASA-N 1 0 288.778 3.290 50 0 CGAARO C[C@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Br)c1 ZINC000033647593 368968252 /nfs/dbraw/zinc/96/82/52/368968252.db2.gz GIDJZDYNVHMFAH-VIFPVBQESA-N 1 0 284.197 3.408 50 0 in-vivo CGAARO COc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000033646607 368968333 /nfs/dbraw/zinc/96/83/33/368968333.db2.gz SKNKDSZKBFMMPB-BETUJISGSA-N 1 0 263.381 3.467 50 0 CGAARO COc1ccc(-c2cc[nH]n2)cc1C[NH2+]C1CCCC1 ZINC000032598234 368937042 /nfs/dbraw/zinc/93/70/42/368937042.db2.gz QKKZLAMESJJAOR-UHFFFAOYSA-N 1 0 271.364 3.118 50 0 CGAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000032870842 368949046 /nfs/dbraw/zinc/94/90/46/368949046.db2.gz UVFBKWFTSDDCJL-KRWDZBQOSA-N 1 0 297.402 3.191 50 0 CGAARO CSc1ccc(Cl)c(C(=O)OCC[NH+]2CCCC2)c1 ZINC000032962549 368954895 /nfs/dbraw/zinc/95/48/95/368954895.db2.gz XQWKKFUFDDTYLZ-UHFFFAOYSA-N 1 0 299.823 3.315 50 0 CGAARO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000035132989 369001339 /nfs/dbraw/zinc/00/13/39/369001339.db2.gz XZTGJURVSDNVEA-ZDUSSCGKSA-N 1 0 270.376 3.015 50 0 CGAARO c1ccc(COc2cccc3c2C=C[C@@]2(CC[NH2+]C2)O3)cc1 ZINC000036141934 369011555 /nfs/dbraw/zinc/01/15/55/369011555.db2.gz XRDNLVQOGILELX-IBGZPJMESA-N 1 0 293.366 3.403 50 0 CGAARO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037621675 369093157 /nfs/dbraw/zinc/09/31/57/369093157.db2.gz DEPBSPZANBXPOQ-QMTHXVAHSA-N 1 0 268.426 3.060 50 0 CGAARO O[C@@H](C[NH2+]Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000037863651 369120697 /nfs/dbraw/zinc/12/06/97/369120697.db2.gz ZZCVMVFFJKEHJD-HNNXBMFYSA-N 1 0 297.732 3.441 50 0 CGAARO CC[NH+]1CCC(NCc2ccccc2OC(C)C)CC1 ZINC000037976756 369130257 /nfs/dbraw/zinc/13/02/57/369130257.db2.gz SYYIXPCXQZJPTM-UHFFFAOYSA-N 1 0 276.424 3.048 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000038011086 369139650 /nfs/dbraw/zinc/13/96/50/369139650.db2.gz QJDKQUFHZAWJNW-VIFPVBQESA-N 1 0 299.296 3.468 50 0 CGAARO Cc1noc(C)c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000041626175 369193619 /nfs/dbraw/zinc/19/36/19/369193619.db2.gz GVILZTPKWQFKPA-UHFFFAOYSA-N 1 0 299.418 3.046 50 0 CGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000048314549 369341626 /nfs/dbraw/zinc/34/16/26/369341626.db2.gz AYZXFWMKKOGQDQ-ZDUSSCGKSA-N 1 0 294.445 3.117 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](Cc2csc(-c3ncccn3)n2)C1 ZINC000051159018 369446414 /nfs/dbraw/zinc/44/64/14/369446414.db2.gz XVKPMZYPRFFFBI-RYUDHWBXSA-N 1 0 288.420 3.078 50 0 CGAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000051085501 369446487 /nfs/dbraw/zinc/44/64/87/369446487.db2.gz FHSLXCSESBHZGQ-QGZVFWFLSA-N 1 0 289.325 3.057 50 0 CGAARO CN(Cc1ccco1)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054886614 369508014 /nfs/dbraw/zinc/50/80/14/369508014.db2.gz KCBBBTKMVOWNMG-KRWDZBQOSA-N 1 0 298.386 3.075 50 0 CGAARO C[NH+](C)CCCNCc1ccc(Cl)c(Cl)c1 ZINC000057214522 369532334 /nfs/dbraw/zinc/53/23/34/369532334.db2.gz FIGFDBVBDYLQFP-UHFFFAOYSA-N 1 0 261.196 3.035 50 0 CGAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(C)cc1 ZINC000057463262 369539533 /nfs/dbraw/zinc/53/95/33/369539533.db2.gz HRLPPQJLPKZYTD-WMZOPIPTSA-N 1 0 283.371 3.153 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000055505164 369519406 /nfs/dbraw/zinc/51/94/06/369519406.db2.gz MGKKBRPEUXDJDA-INIZCTEOSA-N 1 0 270.376 3.499 50 0 CGAARO Cc1cc(C)c(C[NH2+]CC2(O)CCCCC2)c(C)c1 ZINC000060343665 369585535 /nfs/dbraw/zinc/58/55/35/369585535.db2.gz VGKSWLOMVBBQDY-UHFFFAOYSA-N 1 0 261.409 3.397 50 0 CGAARO [NH3+]Cc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000061846492 369608073 /nfs/dbraw/zinc/60/80/73/369608073.db2.gz SAIPOSMOTFGKMF-UHFFFAOYSA-N 1 0 257.724 3.138 50 0 CGAARO C[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000062186132 369622007 /nfs/dbraw/zinc/62/20/07/369622007.db2.gz GAINZRFXVQNBJZ-CRAIPNDOSA-N 1 0 269.388 3.115 50 0 CGAARO CSCc1noc(C[NH2+][C@@H](C)CCc2ccccc2)n1 ZINC000065384700 369670891 /nfs/dbraw/zinc/67/08/91/369670891.db2.gz YHWKQWUFUGPVDD-LBPRGKRZSA-N 1 0 291.420 3.044 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000065370963 369669146 /nfs/dbraw/zinc/66/91/46/369669146.db2.gz RJNKCOMKJXBUFV-ZDUSSCGKSA-N 1 0 284.359 3.046 50 0 CGAARO Cc1nc([C@H]2CCC[NH2+]2)n(-c2cccc3ccccc32)n1 ZINC000067655014 369722365 /nfs/dbraw/zinc/72/23/65/369722365.db2.gz JEHSBBITPNYBNF-OAHLLOKOSA-N 1 0 278.359 3.153 50 0 CGAARO COc1ccc(-c2ccccc2CC[NH3+])c2cccnc12 ZINC000067446649 369717132 /nfs/dbraw/zinc/71/71/32/369717132.db2.gz DRJKBPPHCCKJSN-UHFFFAOYSA-N 1 0 278.355 3.412 50 0 CGAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000065424060 369675025 /nfs/dbraw/zinc/67/50/25/369675025.db2.gz GJIPQRPMZJOSPN-WQMJKPAKSA-N 1 0 285.391 3.443 50 0 CGAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000065424055 369675473 /nfs/dbraw/zinc/67/54/73/369675473.db2.gz GJIPQRPMZJOSPN-LRFDDAOPSA-N 1 0 285.391 3.443 50 0 CGAARO CC[N@@H+](Cc1csc(C(C)C)n1)C[C@@H]1CCOC1 ZINC000065625685 369684994 /nfs/dbraw/zinc/68/49/94/369684994.db2.gz DBOVPBIKGWYIAC-LBPRGKRZSA-N 1 0 268.426 3.125 50 0 CGAARO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc2ccccc21 ZINC000069816636 369771911 /nfs/dbraw/zinc/77/19/11/369771911.db2.gz DZEKVCNRIFSBGC-ZFWWWQNUSA-N 1 0 292.386 3.097 50 0 CGAARO c1ccc(C[N@@H+](CCc2ccncc2)C2CC2)cc1 ZINC000069454352 369760299 /nfs/dbraw/zinc/76/02/99/369760299.db2.gz HKOOKJYVSSFBBW-UHFFFAOYSA-N 1 0 252.361 3.289 50 0 CGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000069493289 369761719 /nfs/dbraw/zinc/76/17/19/369761719.db2.gz WMLGHIJLUAFCTP-NWDGAFQWSA-N 1 0 279.334 3.209 50 0 CGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000069489735 369761781 /nfs/dbraw/zinc/76/17/81/369761781.db2.gz QTYWDUQCLQFVFD-CHWSQXEVSA-N 1 0 263.410 3.035 50 0 CGAARO C[N@@H+]1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000069878629 369773351 /nfs/dbraw/zinc/77/33/51/369773351.db2.gz NOHGGNUSUBGQEF-HNNXBMFYSA-N 1 0 280.371 3.244 50 0 CGAARO CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069534346 369763830 /nfs/dbraw/zinc/76/38/30/369763830.db2.gz MDKMKAUJTWHHLZ-OAHLLOKOSA-N 1 0 280.456 3.147 50 0 CGAARO CC(C)(C)[C@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccccc1 ZINC000069745089 369769342 /nfs/dbraw/zinc/76/93/42/369769342.db2.gz MNHQRDAYSVFRFD-MRXNPFEDSA-N 1 0 287.359 3.222 50 0 CGAARO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)c(C)o2)C1 ZINC000067774096 369728832 /nfs/dbraw/zinc/72/88/32/369728832.db2.gz MNAGZCAHGVOKDR-OAHLLOKOSA-N 1 0 292.423 3.025 50 0 CGAARO COCc1ncc(C[N@H+](C)[C@H]2CCCc3ccccc32)cn1 ZINC000067909265 369735030 /nfs/dbraw/zinc/73/50/30/369735030.db2.gz XVYQFDOKNWWOKX-KRWDZBQOSA-N 1 0 297.402 3.132 50 0 CGAARO Cn1c(CN2CCCC[C@H]2CC[NH+](C)C)cc2ccccc21 ZINC000072418045 369819506 /nfs/dbraw/zinc/81/95/06/369819506.db2.gz LPFIXPOWIMVOSC-KRWDZBQOSA-N 1 0 299.462 3.485 50 0 CGAARO Cc1c(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cnn1C ZINC000072454371 369820523 /nfs/dbraw/zinc/82/05/23/369820523.db2.gz CSRIDQZAGNFTII-UHFFFAOYSA-N 1 0 299.418 3.080 50 0 CGAARO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1cccc(Cl)c1 ZINC000079000491 369958455 /nfs/dbraw/zinc/95/84/55/369958455.db2.gz PHOGJNDIOWWAEF-VIFPVBQESA-N 1 0 294.807 3.351 50 0 CGAARO Cc1nc(C[NH2+]C[C@@H](C)c2nc3ccccc3o2)cs1 ZINC000078975507 369958914 /nfs/dbraw/zinc/95/89/14/369958914.db2.gz WWTUXAWWRQTJED-SNVBAGLBSA-N 1 0 287.388 3.486 50 0 CGAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC000075675370 369915877 /nfs/dbraw/zinc/91/58/77/369915877.db2.gz JHACVAXQVDDOAV-OAHLLOKOSA-N 1 0 286.375 3.199 50 0 CGAARO C[N@H+](Cc1ccc(Cl)nc1)[C@H](CCO)c1ccccc1 ZINC000075899156 369920790 /nfs/dbraw/zinc/92/07/90/369920790.db2.gz OUEWILQFUKSWDR-OAHLLOKOSA-N 1 0 290.794 3.291 50 0 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[NH3+]CCCCC(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000195557524 376111831 /nfs/dbraw/zinc/11/18/31/376111831.db2.gz DNYIHUNZQMXWGA-UHFFFAOYSA-N 1 0 294.398 3.372 50 0 CGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(CO)c2)C1 ZINC000195577909 376113520 /nfs/dbraw/zinc/11/35/20/376113520.db2.gz BBDMQNIPFPQXAW-HNAYVOBHSA-N 1 0 296.414 3.426 50 0 CGAARO CN(Cc1cscn1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000215994430 376153853 /nfs/dbraw/zinc/15/38/53/376153853.db2.gz NLAWQJHYWYRTEH-AWEZNQCLSA-N 1 0 287.432 3.101 50 0 CGAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CCSCC1 ZINC000216061862 376156702 /nfs/dbraw/zinc/15/67/02/376156702.db2.gz HVGBKXJFCDEHAC-GFCCVEGCSA-N 1 0 269.435 3.148 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H]2CCOC2)o1 ZINC000225501807 376314276 /nfs/dbraw/zinc/31/42/76/376314276.db2.gz HCGQBJBJNPYKMN-LBPRGKRZSA-N 1 0 275.323 3.273 50 0 CGAARO C[C@@H](c1cnn(C)c1)[N@H+](C)CCCCC1CCOCC1 ZINC000225628325 376320018 /nfs/dbraw/zinc/32/00/18/376320018.db2.gz ULFPDSDLNVFORX-AWEZNQCLSA-N 1 0 279.428 3.010 50 0 CGAARO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000229585795 376465701 /nfs/dbraw/zinc/46/57/01/376465701.db2.gz KDJZTQPBTVVZLA-YNEHKIRRSA-N 1 0 251.395 3.019 50 0 CGAARO Cc1ccc(C(C)(C)CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000237584610 376752078 /nfs/dbraw/zinc/75/20/78/376752078.db2.gz RTSZPHUVTBBQTD-GOEBONIOSA-N 1 0 288.435 3.001 50 0 CGAARO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237699573 376756418 /nfs/dbraw/zinc/75/64/18/376756418.db2.gz NEHZMYDDRWUEHV-WFASDCNBSA-N 1 0 290.382 3.007 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000241124123 376776628 /nfs/dbraw/zinc/77/66/28/376776628.db2.gz JFUCAKNRRLIWAK-UPJWGTAASA-N 1 0 295.427 3.472 50 0 CGAARO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1)c1cccc(O)c1 ZINC000241465948 376778181 /nfs/dbraw/zinc/77/81/81/376778181.db2.gz NTGYHBLAZIARSF-BDJLRTHQSA-N 1 0 291.778 3.430 50 0 CGAARO CCc1nc(C[N@@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000244795762 376795224 /nfs/dbraw/zinc/79/52/24/376795224.db2.gz RNBALOJDHBXKPM-UHFFFAOYSA-N 1 0 280.437 3.098 50 0 CGAARO C1C[C@@H]2[C@@H](C3CCCCC3)N([C@H]3CCSC3)CC[N@@H+]2C1 ZINC000244811406 376795552 /nfs/dbraw/zinc/79/55/52/376795552.db2.gz SCAYWBJPDCRYKZ-GVDBMIGSSA-N 1 0 294.508 3.221 50 0 CGAARO CN(CCCc1ccco1)CC[N@H+](C)C1CCCC1 ZINC000244873271 376799819 /nfs/dbraw/zinc/79/98/19/376799819.db2.gz WMZRYPXLWPKIKU-UHFFFAOYSA-N 1 0 264.413 3.018 50 0 CGAARO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249286380 377486528 /nfs/dbraw/zinc/48/65/28/377486528.db2.gz PPFZGSWESYEFCI-BJDJZHNGSA-N 1 0 267.335 3.104 50 0 CGAARO c1ccc2c(c1)SC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250869444 377567530 /nfs/dbraw/zinc/56/75/30/377567530.db2.gz YILNUZLPDPPEAS-IPYPFGDCSA-N 1 0 274.433 3.050 50 0 CGAARO Cc1cc(C)n(-c2ccccc2C[N@@H+](C)C2CCOCC2)n1 ZINC000252482931 377627598 /nfs/dbraw/zinc/62/75/98/377627598.db2.gz DQIXECPJTNCFBJ-UHFFFAOYSA-N 1 0 299.418 3.100 50 0 CGAARO C/C(=C\C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C1CC1 ZINC000254712916 377711509 /nfs/dbraw/zinc/71/15/09/377711509.db2.gz GVEDMVJSRFDRCT-MCIVFQDESA-N 1 0 298.430 3.294 50 0 CGAARO CN(C)c1ncc(C[N@@H+]2CCC=C(c3ccccc3)C2)s1 ZINC000342837166 377828230 /nfs/dbraw/zinc/82/82/30/377828230.db2.gz LEIUPDCEYBPYQG-UHFFFAOYSA-N 1 0 299.443 3.498 50 0 CGAARO O[C@H](CC[N@@H+]1CCC2(CCCC2)C1)c1ccccc1 ZINC000311481148 542429939 /nfs/dbraw/zinc/42/99/39/542429939.db2.gz UAAQFGKOXNOFGF-MRXNPFEDSA-N 1 0 259.393 3.376 50 0 CGAARO CC(C)c1ccc(OCC[NH2+]CC2=CCCOC2)cc1 ZINC000095428175 184979807 /nfs/dbraw/zinc/97/98/07/184979807.db2.gz QNABMJRKSNEGTG-UHFFFAOYSA-N 1 0 275.392 3.125 50 0 CGAARO Cc1cc(C)[n+]2nc(SCc3ccccc3)sc2n1 ZINC000000124266 391905260 /nfs/dbraw/zinc/90/52/60/391905260.db2.gz WKGAQGVCCXFGOQ-UHFFFAOYSA-N 1 0 288.421 3.186 50 0 CGAARO CC1[N+](=O)[C@H](c2ccccc2C(F)(F)F)N(O)C1(C)C ZINC000000195008 391908067 /nfs/dbraw/zinc/90/80/67/391908067.db2.gz OXBFEUUADKEQJE-NSHDSACASA-N 1 0 288.269 3.159 50 0 CGAARO c1cnn(-c2cccc(C[N@@H+]3CCOC4(CCCC4)C3)c2)c1 ZINC000093588833 392239535 /nfs/dbraw/zinc/23/95/35/392239535.db2.gz ITOLIVRLOPIBIY-UHFFFAOYSA-N 1 0 297.402 3.017 50 0 CGAARO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([C@H](C)O)CC1 ZINC000096414879 392251324 /nfs/dbraw/zinc/25/13/24/392251324.db2.gz ZLBDPFMOZWJGAP-LRDDRELGSA-N 1 0 265.372 3.370 50 0 CGAARO CC1(C)C[C@H]([NH2+]Cc2c[nH]c3ccccc23)CCO1 ZINC000215596135 392987589 /nfs/dbraw/zinc/98/75/89/392987589.db2.gz UUBZRPVUSLGJLM-CYBMUJFWSA-N 1 0 258.365 3.215 50 0 CGAARO C[NH+](C)[C@@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000216480107 392991365 /nfs/dbraw/zinc/99/13/65/392991365.db2.gz ZQPDXZIAGUZDAW-MRXNPFEDSA-N 1 0 288.435 3.144 50 0 CGAARO C/C=C\C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000222190828 393007460 /nfs/dbraw/zinc/00/74/60/393007460.db2.gz BEJSSQPWJDGUML-AFNCTOJWSA-N 1 0 282.428 3.141 50 0 CGAARO Cc1cc2nc(-c3ccc(C[NH3+])cc3)[nH]c2cc1C ZINC000019733989 292022583 /nfs/dbraw/zinc/02/25/83/292022583.db2.gz LNEPOBQQWSCJMQ-UHFFFAOYSA-N 1 0 251.333 3.305 50 0 CGAARO c1[nH]nc2cc(C[NH2+][C@@H](C3CC3)C3CCC3)ccc12 ZINC000453624216 394262093 /nfs/dbraw/zinc/26/20/93/394262093.db2.gz PRMZAJRFQYKRGC-MRXNPFEDSA-N 1 0 255.365 3.231 50 0 CGAARO Cc1ccc([C@@H](C)CC[N@H+](C)CCCn2cccn2)o1 ZINC000670437703 543154158 /nfs/dbraw/zinc/15/41/58/543154158.db2.gz UXCAGNLIPBMEBC-AWEZNQCLSA-N 1 0 275.396 3.300 50 0 CGAARO CC(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058210307 397637055 /nfs/dbraw/zinc/63/70/55/397637055.db2.gz GSNCKKLRBICSKO-KRWDZBQOSA-N 1 0 288.435 3.061 50 0 CGAARO Cc1cc(C2CC[NH2+]CC2)ccc1Br ZINC000084192887 397641036 /nfs/dbraw/zinc/64/10/36/397641036.db2.gz YGSBUDCONKHNRO-UHFFFAOYSA-N 1 0 254.171 3.225 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[NH2+]CC2 ZINC000019300578 286260986 /nfs/dbraw/zinc/26/09/86/286260986.db2.gz CTOWTEDOGJLWJS-KRWDZBQOSA-N 1 0 287.334 3.078 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H](C)n1cccn1 ZINC000069372685 287042165 /nfs/dbraw/zinc/04/21/65/287042165.db2.gz NAORZNGLVQVIIJ-NEPJUHHUSA-N 1 0 292.452 3.376 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000001901932 169762739 /nfs/dbraw/zinc/76/27/39/169762739.db2.gz UGMRTWWXYQCHGT-SJLPKXTDSA-N 1 0 299.414 3.037 50 0 CGAARO Cc1ccccc1OCCOCC[NH+]1CCCCCC1 ZINC000002838940 169836554 /nfs/dbraw/zinc/83/65/54/169836554.db2.gz PLJSDHGYLSWSPU-UHFFFAOYSA-N 1 0 277.408 3.266 50 0 CGAARO CCCC[NH2+]CCOCCOc1ccccc1Cl ZINC000002981038 169846743 /nfs/dbraw/zinc/84/67/43/169846743.db2.gz VNLVHFURCFOCRT-UHFFFAOYSA-N 1 0 271.788 3.125 50 0 CGAARO Cc1ccccc1OC[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000002991940 169847624 /nfs/dbraw/zinc/84/76/24/169847624.db2.gz BLSUZSBLONFRQS-KRWDZBQOSA-N 1 0 293.451 3.349 50 0 CGAARO CC(=O)c1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000003972804 169926650 /nfs/dbraw/zinc/92/66/50/169926650.db2.gz UDOGRGCITVUWOQ-CQSZACIVSA-N 1 0 275.392 3.390 50 0 CGAARO CC1(C)CC(CCOC(=O)c2cccnc2)CC(C)(C)[NH2+]1 ZINC000004624388 169991018 /nfs/dbraw/zinc/99/10/18/169991018.db2.gz KBIRMXRALKYTJV-UHFFFAOYSA-N 1 0 290.407 3.185 50 0 CGAARO Cc1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000004745769 170010066 /nfs/dbraw/zinc/01/00/66/170010066.db2.gz LFPGJWLDVBLIHP-UHFFFAOYSA-N 1 0 258.409 3.055 50 0 CGAARO c1[nH]c2ccccc2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000004745752 170010200 /nfs/dbraw/zinc/01/02/00/170010200.db2.gz NPVSKBTWLHRKJH-UHFFFAOYSA-N 1 0 283.419 3.228 50 0 CGAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000004749670 170011448 /nfs/dbraw/zinc/01/14/48/170011448.db2.gz IZRZVLGYXROWNE-UHFFFAOYSA-N 1 0 295.386 3.320 50 0 CGAARO CC(C)Oc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000004869037 170034295 /nfs/dbraw/zinc/03/42/95/170034295.db2.gz DZTLNJHQVYZQGM-UHFFFAOYSA-N 1 0 263.381 3.339 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000004977925 170047961 /nfs/dbraw/zinc/04/79/61/170047961.db2.gz NYKDMPGOAZBWMG-OAHLLOKOSA-N 1 0 275.392 3.079 50 0 CGAARO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000004989378 170049761 /nfs/dbraw/zinc/04/97/61/170049761.db2.gz VPYIBXONAYEZTD-CHWSQXEVSA-N 1 0 263.381 3.182 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000004989512 170050062 /nfs/dbraw/zinc/05/00/62/170050062.db2.gz WXRZFFNOPWJODR-CYBMUJFWSA-N 1 0 299.370 3.145 50 0 CGAARO CC[C@@H]([NH2+]C1CCCCC1)C(=O)NC1CCCCC1 ZINC000004989613 170050268 /nfs/dbraw/zinc/05/02/68/170050268.db2.gz WLFLQCITFQPYCC-OAHLLOKOSA-N 1 0 266.429 3.136 50 0 CGAARO C[NH2+]CCCOc1c(C)cc(Cl)cc1Br ZINC000005013361 170055437 /nfs/dbraw/zinc/05/54/37/170055437.db2.gz HDDIOOQOJBBCSQ-UHFFFAOYSA-N 1 0 292.604 3.399 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000005031863 170058873 /nfs/dbraw/zinc/05/88/73/170058873.db2.gz TVLRBVCAHBHTEH-GFCCVEGCSA-N 1 0 257.337 3.111 50 0 CGAARO C[NH+](C)CCSc1nc(-c2ccccc2)nc2c1CCC2 ZINC000005156876 170071819 /nfs/dbraw/zinc/07/18/19/170071819.db2.gz IQYRIKYSWUXORO-UHFFFAOYSA-N 1 0 299.443 3.286 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000005968040 170164486 /nfs/dbraw/zinc/16/44/86/170164486.db2.gz PRYBYAYBIFXKDM-FUHWJXTLSA-N 1 0 299.414 3.394 50 0 CGAARO CCOc1ccc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000006658178 170223391 /nfs/dbraw/zinc/22/33/91/170223391.db2.gz JYHAUCNMSQRTNP-LLVKDONJSA-N 1 0 270.170 3.272 50 0 CGAARO CC[NH2+]CCOc1ccc(Br)cc1Cl ZINC000006702743 170230212 /nfs/dbraw/zinc/23/02/12/170230212.db2.gz CUGDATRJYAEKFC-UHFFFAOYSA-N 1 0 278.577 3.091 50 0 CGAARO CC(C)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000006726446 170233288 /nfs/dbraw/zinc/23/32/88/170233288.db2.gz CCZNZAZCNDPKTP-UHFFFAOYSA-N 1 0 275.396 3.026 50 0 CGAARO CCc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000006731618 170236180 /nfs/dbraw/zinc/23/61/80/170236180.db2.gz MLZZUXQNJHPLIH-UHFFFAOYSA-N 1 0 289.423 3.243 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000006829134 170247441 /nfs/dbraw/zinc/24/74/41/170247441.db2.gz KUYBDOWEEWZIMG-ILXRZTDVSA-N 1 0 265.784 3.296 50 0 biogenic CGAARO COc1ccccc1C[n+]1ccc2ccccc2c1 ZINC000007714844 170298753 /nfs/dbraw/zinc/29/87/53/170298753.db2.gz ALTAXASKQLIHNE-UHFFFAOYSA-N 1 0 250.321 3.184 50 0 CGAARO CC1CC[NH+](CCOCCOc2ccc(Cl)cc2)CC1 ZINC000008750476 170354315 /nfs/dbraw/zinc/35/43/15/170354315.db2.gz RILQYHFVHUJENE-UHFFFAOYSA-N 1 0 297.826 3.467 50 0 CGAARO CC(C)(C)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000009484294 170378688 /nfs/dbraw/zinc/37/86/88/170378688.db2.gz SHRRZXPOIJFZDS-UHFFFAOYSA-N 1 0 256.349 3.166 50 0 CGAARO C[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000010474986 170408254 /nfs/dbraw/zinc/40/82/54/170408254.db2.gz WGMQMIMGMPOFHS-CYBMUJFWSA-N 1 0 269.344 3.309 50 0 CGAARO c1cc2c(cc1C[NH2+]CCC1=CCCCC1)OCCO2 ZINC000013723966 170581895 /nfs/dbraw/zinc/58/18/95/170581895.db2.gz PTEJQLQFUDXFDM-UHFFFAOYSA-N 1 0 273.376 3.438 50 0 CGAARO Cc1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000014631413 170640562 /nfs/dbraw/zinc/64/05/62/170640562.db2.gz AYSYGLFRHMBOLQ-UHFFFAOYSA-N 1 0 284.197 3.136 50 0 CGAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccn1 ZINC000020122492 171002746 /nfs/dbraw/zinc/00/27/46/171002746.db2.gz IYVWFWQKSULPSR-CYBMUJFWSA-N 1 0 265.360 3.456 50 0 CGAARO Clc1cccc(Cl)c1CNCC[NH+]1CCCC1 ZINC000020126976 171012270 /nfs/dbraw/zinc/01/22/70/171012270.db2.gz VELUSPZHKKHKJU-UHFFFAOYSA-N 1 0 273.207 3.179 50 0 CGAARO c1cnn(CCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000020201217 171065761 /nfs/dbraw/zinc/06/57/61/171065761.db2.gz ORWUVQVEPKLXFY-QGZVFWFLSA-N 1 0 269.392 3.153 50 0 CGAARO CCCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020927562 171280542 /nfs/dbraw/zinc/28/05/42/171280542.db2.gz BVOWXUKDJWUJEA-UHFFFAOYSA-N 1 0 272.186 3.347 50 0 CGAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(Cl)c1 ZINC000022078171 171352706 /nfs/dbraw/zinc/35/27/06/171352706.db2.gz UIDOWRBIAMSYNI-DOMZBBRYSA-N 1 0 264.800 3.009 50 0 CGAARO Cc1ccc(-n2nnnc2C2([NH2+]C(C)C)CCCCC2)cc1 ZINC000022436647 171387831 /nfs/dbraw/zinc/38/78/31/171387831.db2.gz HBFUSGNXERJYTG-UHFFFAOYSA-N 1 0 299.422 3.128 50 0 CGAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc2ccccc2c1 ZINC000035275121 172095954 /nfs/dbraw/zinc/09/59/54/172095954.db2.gz OBXFZCDVCJRQHG-AWEZNQCLSA-N 1 0 265.360 3.215 50 0 CGAARO Cc1ccsc1C[NH2+]CCCOc1ccccn1 ZINC000035287324 172105110 /nfs/dbraw/zinc/10/51/10/172105110.db2.gz CKJKXDGPLWRXRK-UHFFFAOYSA-N 1 0 262.378 3.010 50 0 CGAARO c1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000037325809 173126162 /nfs/dbraw/zinc/12/61/62/173126162.db2.gz LJLURTMAKDPIBA-IBGZPJMESA-N 1 0 280.415 3.441 50 0 CGAARO Clc1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000039953911 174177777 /nfs/dbraw/zinc/17/77/77/174177777.db2.gz FMIHVOMYDRWYSF-SECBINFHSA-N 1 0 290.588 3.233 50 0 CGAARO CC[NH+](CC)Cc1ccc(CNC(=O)CC(C)C)cc1 ZINC000039995668 174181929 /nfs/dbraw/zinc/18/19/29/174181929.db2.gz VEGIDYCJNSOAQB-UHFFFAOYSA-N 1 0 276.424 3.191 50 0 CGAARO COc1ccc(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000040105886 174191367 /nfs/dbraw/zinc/19/13/67/174191367.db2.gz QVLACWMJNSIDJY-GFCCVEGCSA-N 1 0 295.810 3.350 50 0 CGAARO COCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000040161823 174196163 /nfs/dbraw/zinc/19/61/63/174196163.db2.gz WJGNXAASDMEOPJ-UHFFFAOYSA-N 1 0 273.351 3.474 50 0 CGAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccoc2)c1 ZINC000043274366 174996629 /nfs/dbraw/zinc/99/66/29/174996629.db2.gz AJBOBYQWQDTPSI-UHFFFAOYSA-N 1 0 286.375 3.051 50 0 CGAARO CC(C)C[C@H](C)[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000044910810 175275986 /nfs/dbraw/zinc/27/59/86/175275986.db2.gz YOVYVMUPJGCBGQ-NSHDSACASA-N 1 0 263.341 3.196 50 0 CGAARO C[N@@H+](Cc1ccco1)C[C@H](O)c1ccccc1Cl ZINC000046037732 175390245 /nfs/dbraw/zinc/39/02/45/175390245.db2.gz CIKMGZBNKJYTEZ-AWEZNQCLSA-N 1 0 265.740 3.098 50 0 CGAARO Cc1ccccc1CNC1=[NH+]CCN[C@@]12CCC[C@@H](C)C2 ZINC000046153151 175393652 /nfs/dbraw/zinc/39/36/52/175393652.db2.gz MUFPWKRBROLHAW-RDTXWAMCSA-N 1 0 285.435 3.035 50 0 biogenic CGAARO CCc1nc(CN2CCC(C[NH+](CC)CC)CC2)cs1 ZINC000047978549 175417352 /nfs/dbraw/zinc/41/73/52/175417352.db2.gz JMYJEIJWPDNGDP-UHFFFAOYSA-N 1 0 295.496 3.259 50 0 CGAARO CC[C@H]1CCCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400318 176152571 /nfs/dbraw/zinc/15/25/71/176152571.db2.gz BAJXPQMNZZLFGI-HOTGVXAUSA-N 1 0 274.408 3.258 50 0 CGAARO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000071419535 176160466 /nfs/dbraw/zinc/16/04/66/176160466.db2.gz WAIXKFNUBCYZEM-ZDUSSCGKSA-N 1 0 282.387 3.268 50 0 CGAARO CCc1ccc(-c2nccn2C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000071748757 176259767 /nfs/dbraw/zinc/25/97/67/176259767.db2.gz XPDKCFWOSPUNBD-INIZCTEOSA-N 1 0 283.419 3.454 50 0 CGAARO [NH3+]Cc1cccc(-c2nccc(CCC(F)(F)F)n2)c1 ZINC000071771483 176262481 /nfs/dbraw/zinc/26/24/81/176262481.db2.gz MTMSJKBBFKIZPQ-UHFFFAOYSA-N 1 0 281.281 3.097 50 0 CGAARO c1ccc2oc(NC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000071811743 176268141 /nfs/dbraw/zinc/26/81/41/176268141.db2.gz JZMBBTPGMPGGHN-UHFFFAOYSA-N 1 0 271.364 3.114 50 0 CGAARO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2cnc(C)s2)c1 ZINC000071875367 176284962 /nfs/dbraw/zinc/28/49/62/176284962.db2.gz GBTZWOPCCLTSHD-AWEZNQCLSA-N 1 0 290.436 3.011 50 0 CGAARO c1cncc(C[N@@H+](C[C@H]2CCCO2)[C@H]2C=CCCC2)c1 ZINC000071904857 176295873 /nfs/dbraw/zinc/29/58/73/176295873.db2.gz IEIIRLWYNDDPRA-DLBZAZTESA-N 1 0 272.392 3.171 50 0 CGAARO CC(C)c1nnc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)o1 ZINC000071907869 176296755 /nfs/dbraw/zinc/29/67/55/176296755.db2.gz BVXVAQYOWSFCLB-OAHLLOKOSA-N 1 0 285.391 3.182 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1 ZINC000072117761 176319166 /nfs/dbraw/zinc/31/91/66/176319166.db2.gz FKFOAWDUWQNCCO-INIZCTEOSA-N 1 0 289.423 3.463 50 0 CGAARO CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000072278487 176357333 /nfs/dbraw/zinc/35/73/33/176357333.db2.gz XPEWHKSTIPJDBC-UHFFFAOYSA-N 1 0 262.397 3.057 50 0 CGAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000072309792 176366988 /nfs/dbraw/zinc/36/69/88/176366988.db2.gz NUSCTWWHYYBVJZ-HNNXBMFYSA-N 1 0 289.423 3.109 50 0 CGAARO CCOc1ccc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000078553265 177353360 /nfs/dbraw/zinc/35/33/60/177353360.db2.gz FYFJOSYTEZVPFL-GFCCVEGCSA-N 1 0 287.407 3.286 50 0 CGAARO CC[NH+](CC)Cc1c(C=O)sc2c1CCCC2 ZINC000020515512 260118546 /nfs/dbraw/zinc/11/85/46/260118546.db2.gz IOZAYLORXOUTDQ-UHFFFAOYSA-N 1 0 251.395 3.281 50 0 CGAARO O=C(Cc1cccc(F)c1)Nc1ccc(-n2ccnc2)cc1 ZINC000029951163 260139634 /nfs/dbraw/zinc/13/96/34/260139634.db2.gz ZQZYQIBORJBEOX-UHFFFAOYSA-N 1 0 295.317 3.193 50 0 CGAARO Cc1cc(C)n(-c2cccc(-c3c[nH]c(C)n3)c2)n1 ZINC000065427191 260242697 /nfs/dbraw/zinc/24/26/97/260242697.db2.gz KYNIZDGEXZZSDI-UHFFFAOYSA-N 1 0 252.321 3.188 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1ccccc1CC(C)C ZINC000527734010 270133166 /nfs/dbraw/zinc/13/31/66/270133166.db2.gz SCVJVHONHAKIDK-UHFFFAOYSA-N 1 0 257.381 3.206 50 0 CGAARO COc1ccc(C[NH2+]Cc2c[nH]nc2C)c(C(F)(F)F)c1 ZINC000078979902 274110204 /nfs/dbraw/zinc/11/02/04/274110204.db2.gz KAHBAQCJLYURBA-UHFFFAOYSA-N 1 0 299.296 3.035 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC000000277013 274159034 /nfs/dbraw/zinc/15/90/34/274159034.db2.gz UIXAGJDENQATEF-GJZGRUSLSA-N 1 0 274.408 3.006 50 0 CGAARO Clc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000038580886 274881610 /nfs/dbraw/zinc/88/16/10/274881610.db2.gz OBJSZCBLJCLVCT-UHFFFAOYSA-N 1 0 290.588 3.233 50 0 CGAARO [NH2+]=c1ccn(Cc2c(Cl)cccc2Cl)cc1 ZINC000000494728 274933096 /nfs/dbraw/zinc/93/30/96/274933096.db2.gz HGQLWRCILKLOMM-UHFFFAOYSA-N 1 0 253.132 3.323 50 0 CGAARO CC1(C)C[C@H]([C@H](CC[NH3+])c2ccc(F)cc2)CCO1 ZINC000004825987 276149722 /nfs/dbraw/zinc/14/97/22/276149722.db2.gz FBSHSKALOHEBCG-UKRRQHHQSA-N 1 0 265.372 3.463 50 0 CGAARO CN(C)C(=O)CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123068001 276750101 /nfs/dbraw/zinc/75/01/01/276750101.db2.gz RKQYGKYJWPGABM-JKSUJKDBSA-N 1 0 288.435 3.027 50 0 CGAARO CC(C)CCN1C(=O)CC[C@H]2C[N@H+](C3CC=CC3)CC[C@H]21 ZINC000072477821 277353588 /nfs/dbraw/zinc/35/35/88/277353588.db2.gz PUUHAWHBVPVDMP-DOTOQJQBSA-N 1 0 290.451 3.064 50 0 CGAARO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000006007993 278042533 /nfs/dbraw/zinc/04/25/33/278042533.db2.gz HADCLITXFGHGEQ-DOTOQJQBSA-N 1 0 291.435 3.424 50 0 CGAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccccc2)N1O ZINC000005423855 278183687 /nfs/dbraw/zinc/18/36/87/278183687.db2.gz KNQMRGILCFUAMB-INIZCTEOSA-N 1 0 282.343 3.168 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000242164710 278339202 /nfs/dbraw/zinc/33/92/02/278339202.db2.gz WXEWLRCQPDLAAV-ZFWWWQNUSA-N 1 0 292.448 3.144 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCC3)O2)[C@@H](C)C1 ZINC000012436496 278509109 /nfs/dbraw/zinc/50/91/09/278509109.db2.gz FTLAMGAOAHIHBM-ZOFXXKQRSA-N 1 0 279.424 3.062 50 0 CGAARO Cc1ncnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)c1C ZINC000097797431 279176572 /nfs/dbraw/zinc/17/65/72/279176572.db2.gz XPXGJLQLSXSPRB-CYBMUJFWSA-N 1 0 255.365 3.383 50 0 CGAARO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000527678910 288187639 /nfs/dbraw/zinc/18/76/39/288187639.db2.gz WPCNPZJBTKWPHN-OMNBBPDLSA-N 1 0 296.418 3.353 50 0 CGAARO C[C@H]1[C@@H](O)CC[C@@]2(C)C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000004110400 280107455 /nfs/dbraw/zinc/10/74/55/280107455.db2.gz WOBWPNVQJOHAFG-UBDQQSCGSA-N 1 0 273.420 3.306 50 0 CGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccco1 ZINC000003181122 281099051 /nfs/dbraw/zinc/09/90/51/281099051.db2.gz UZXWVNVUOFWQOO-HOCLYGCPSA-N 1 0 296.370 3.036 50 0 CGAARO Cc1cccc(C)c1-c1csc(CN2CC[NH2+]CC2)c1 ZINC000067770560 281201476 /nfs/dbraw/zinc/20/14/76/281201476.db2.gz JVJWTKMHUTYQEJ-UHFFFAOYSA-N 1 0 286.444 3.437 50 0 CGAARO C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971840 289795139 /nfs/dbraw/zinc/79/51/39/289795139.db2.gz IPLZHOOBPJFPAC-YFKPBYRVSA-N 1 0 268.076 3.488 50 0 CGAARO O=C(c1ccccc1Cl)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058328806 304565215 /nfs/dbraw/zinc/56/52/15/304565215.db2.gz IBDVHBQDRHLBBU-ZDUSSCGKSA-N 1 0 292.810 3.040 50 0 CGAARO Cc1cc(C)c(-[n+]2cn(C)c3ccccc32)c(C)c1 ZINC000042682024 301161215 /nfs/dbraw/zinc/16/12/15/301161215.db2.gz YIWLONSMXXCXEG-UHFFFAOYSA-N 1 0 251.353 3.380 50 0 CGAARO Cc1nccn1C[C@H](C)[NH2+]C1(Cc2ccc(C)cc2)CC1 ZINC000534584222 328311836 /nfs/dbraw/zinc/31/18/36/328311836.db2.gz JHKDEXZVNAGUGM-HNNXBMFYSA-N 1 0 283.419 3.253 50 0 CGAARO Cn1nc(C[NH2+][C@@H]2CCCSC2)c2c1cccc2Cl ZINC000534637745 328334553 /nfs/dbraw/zinc/33/45/53/328334553.db2.gz MCHHGZHIUDRINX-SNVBAGLBSA-N 1 0 295.839 3.212 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCOC2CCCCC2)n1 ZINC000534666939 328345679 /nfs/dbraw/zinc/34/56/79/328345679.db2.gz GWCPFPMPDDYAER-OAHLLOKOSA-N 1 0 293.455 3.217 50 0 CGAARO CCN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000485706956 535490900 /nfs/dbraw/zinc/49/09/00/535490900.db2.gz COJLNSQIILKRSS-OAHLLOKOSA-N 1 0 284.806 3.443 50 0 CGAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccncc3)C2)c1OC ZINC000097743214 533727844 /nfs/dbraw/zinc/72/78/44/533727844.db2.gz VDXSSQKZBZVWCW-OAHLLOKOSA-N 1 0 298.386 3.088 50 0 CGAARO COc1ccccc1N[N+](=O)c1ccccc1OC ZINC000409415858 534190299 /nfs/dbraw/zinc/19/02/99/534190299.db2.gz OAUCALIGGIXUPY-UHFFFAOYSA-N 1 0 259.285 3.141 50 0 CGAARO [NH3+]C[C@@H]1Cc2cccc(-c3cccc4[nH]ccc43)c2O1 ZINC000067983396 527220779 /nfs/dbraw/zinc/22/07/79/527220779.db2.gz UMHQQHPKJNZMNA-LBPRGKRZSA-N 1 0 264.328 3.097 50 0 CGAARO CCOCC[NH2+][C@H](C)c1cnc(-c2ccccc2)o1 ZINC000888099159 619260888 /nfs/dbraw/zinc/26/08/88/619260888.db2.gz WVGANDGOWNOHDJ-GFCCVEGCSA-N 1 0 260.337 3.029 50 0 CGAARO Cc1ccccc1N1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000952969278 636775163 /nfs/dbraw/zinc/77/51/63/636775163.db2.gz IUYOWWLZYYQQNF-CQSZACIVSA-N 1 0 287.432 3.068 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)n1 ZINC000952964333 636775834 /nfs/dbraw/zinc/77/58/34/636775834.db2.gz NPNMNZFWOMHRLU-ZDUSSCGKSA-N 1 0 291.826 3.374 50 0 CGAARO COc1cccc(N2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)c1 ZINC000000277010 640921785 /nfs/dbraw/zinc/92/17/85/640921785.db2.gz PCIWRDKGBDTJTP-ZBFHGGJFSA-N 1 0 274.408 3.006 50 0 CGAARO c1ccc2cc(OCCCC[NH+]3CCOCC3)ccc2c1 ZINC000019607359 641036383 /nfs/dbraw/zinc/03/63/83/641036383.db2.gz SBHZMYKHJMVBJU-UHFFFAOYSA-N 1 0 285.387 3.331 50 0 CGAARO C1CCN([C@@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)C1 ZINC000020906243 641044613 /nfs/dbraw/zinc/04/46/13/641044613.db2.gz WJFBGXASFBGXKK-OIAUPDTQSA-N 1 0 288.479 3.371 50 0 CGAARO C1CCN([C@H]2CCC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)C1 ZINC000020906245 641045145 /nfs/dbraw/zinc/04/51/45/641045145.db2.gz WJFBGXASFBGXKK-YXOSVLIBSA-N 1 0 288.479 3.371 50 0 CGAARO C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)[C@@H](C)C1 ZINC000585117059 799678073 /nfs/dbraw/zinc/67/80/73/799678073.db2.gz PYYLIKYGDGJGHT-WWGRRREGSA-N 1 0 284.403 3.442 50 0 CGAARO CC(C)Cc1ccc(C[NH+]2CCSCC2)s1 ZINC000821459906 800456994 /nfs/dbraw/zinc/45/69/94/800456994.db2.gz MZJRYQLRIMECAP-UHFFFAOYSA-N 1 0 255.452 3.495 50 0 CGAARO C[N@H+](CCCn1cccn1)Cc1coc(-c2ccccc2)n1 ZINC000823716267 800469037 /nfs/dbraw/zinc/46/90/37/800469037.db2.gz GWOUGFWNMPOGGF-UHFFFAOYSA-N 1 0 296.374 3.060 50 0 CGAARO c1cc(-c2ccc(C[NH+]3CC(c4ccncc4)C3)s2)n[nH]1 ZINC000829079763 800484010 /nfs/dbraw/zinc/48/40/10/800484010.db2.gz LQQSVIBFZRXVGH-UHFFFAOYSA-N 1 0 296.399 3.133 50 0 CGAARO Cc1cc(-c2ccc3c(c2)C2(CC2)C[NH2+]C3)ccn1 ZINC000952848618 800684557 /nfs/dbraw/zinc/68/45/57/800684557.db2.gz JCBPMRUAGOUBHZ-UHFFFAOYSA-N 1 0 250.345 3.192 50 0 CGAARO Cc1cc(CN(C)CC[C@@H](C)[NH+]2CCCC2)oc1C ZINC000952869226 800684798 /nfs/dbraw/zinc/68/47/98/800684798.db2.gz MRLHTNXRFFEZBI-CQSZACIVSA-N 1 0 264.413 3.203 50 0 CGAARO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3ccncc3)CC2)CCO1 ZINC000952880862 800687230 /nfs/dbraw/zinc/68/72/30/800687230.db2.gz DPMNVHCFRVGRFD-BRWVUGGUSA-N 1 0 288.435 3.466 50 0 CGAARO Cc1ccnn1CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001506398037 937989676 /nfs/dbraw/zinc/98/96/76/937989676.db2.gz SGIRSUFTJKNEOL-QGZVFWFLSA-N 1 0 269.392 3.201 50 0 CGAARO COc1ncc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)cn1 ZINC001506409320 937989853 /nfs/dbraw/zinc/98/98/53/937989853.db2.gz WGKIPWMNCGYYSZ-AWEZNQCLSA-N 1 0 277.412 3.133 50 0 CGAARO CCC[N@@H+]1CCC[C@H](Nc2nnc(C)c3ccccc32)C1 ZINC001529134215 938071137 /nfs/dbraw/zinc/07/11/37/938071137.db2.gz PTJOCDSBIKZJKR-AWEZNQCLSA-N 1 0 284.407 3.225 50 0 CGAARO CCn1cnnc1C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC001529168656 938071427 /nfs/dbraw/zinc/07/14/27/938071427.db2.gz KCTILEKLSLNBHO-KRWDZBQOSA-N 1 0 298.434 3.285 50 0 CGAARO Cc1ccc(OCC[NH2+]C2CSCCSC2)cc1C ZINC001506424162 957737508 /nfs/dbraw/zinc/73/75/08/957737508.db2.gz HMFBXIXIQWSVDY-UHFFFAOYSA-N 1 0 297.489 3.120 50 0 CGAARO COCC[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096492236 230382891 /nfs/dbraw/zinc/38/28/91/230382891.db2.gz FUXBILJIQAQPLB-ZDUSSCGKSA-N 1 0 256.349 3.046 50 0 CGAARO CSc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000095503203 185000042 /nfs/dbraw/zinc/00/00/42/185000042.db2.gz KJPXFWRLRBTIKG-CYBMUJFWSA-N 1 0 293.436 3.014 50 0 CGAARO Cc1ccsc1-c1nnc(SC[C@@H](C)[NH+](C)C)o1 ZINC000095941670 185035789 /nfs/dbraw/zinc/03/57/89/185035789.db2.gz CMIWFKHQUSENKJ-SECBINFHSA-N 1 0 283.422 3.149 50 0 CGAARO Cc1cc(NC(=O)[C@@H]([NH2+][C@H](C)C2CC2)c2ccccc2)no1 ZINC000095946728 185038142 /nfs/dbraw/zinc/03/81/42/185038142.db2.gz YQNVPTUHWQTLPX-WBMJQRKESA-N 1 0 299.374 3.051 50 0 CGAARO Fc1ccc([C@H]2CCC[C@H]2[NH2+]CCCn2ccnc2)cc1 ZINC000095967091 185046623 /nfs/dbraw/zinc/04/66/23/185046623.db2.gz TWIQUFXFAIDANK-IAGOWNOFSA-N 1 0 287.382 3.338 50 0 CGAARO COC[C@H]([NH2+][C@H](C)Cc1ccsc1)c1ccco1 ZINC000095968834 185048211 /nfs/dbraw/zinc/04/82/11/185048211.db2.gz GPSWWHXPYCQKRL-YPMHNXCESA-N 1 0 265.378 3.249 50 0 CGAARO COC(=O)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000095973351 185049432 /nfs/dbraw/zinc/04/94/32/185049432.db2.gz XJECGYYXYNLKTJ-CYBMUJFWSA-N 1 0 281.783 3.116 50 0 CGAARO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983772 185054443 /nfs/dbraw/zinc/05/44/43/185054443.db2.gz JSQPDEFUONEKJH-WFASDCNBSA-N 1 0 279.355 3.162 50 0 CGAARO CC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000095986487 185056508 /nfs/dbraw/zinc/05/65/08/185056508.db2.gz CECVAFUPTLAMKU-NVXWUHKLSA-N 1 0 290.407 3.030 50 0 CGAARO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccnc(SC(C)(C)C)c1 ZINC000095995904 185060754 /nfs/dbraw/zinc/06/07/54/185060754.db2.gz PTRKUSKIWZERIP-AAEUAGOBSA-N 1 0 280.437 3.239 50 0 CGAARO CN(C)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000097743393 529786467 /nfs/dbraw/zinc/78/64/67/529786467.db2.gz DPQGDTGOBHVYLN-UHFFFAOYSA-N 1 0 281.403 3.410 50 0 CGAARO C[C@H](Cc1ccccc1F)[N@H+](CCO)Cc1ccccc1 ZINC000023280245 344897809 /nfs/dbraw/zinc/89/78/09/344897809.db2.gz NDAPQZCPDGDFMJ-OAHLLOKOSA-N 1 0 287.378 3.251 50 0 CGAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000064571350 345263035 /nfs/dbraw/zinc/26/30/35/345263035.db2.gz JJRCASWKEQSCET-HNNXBMFYSA-N 1 0 264.800 3.010 50 0 CGAARO C[NH+](C)CCn1ccc2ccc(NC(=O)CC3CCC3)cc21 ZINC000073102836 345431252 /nfs/dbraw/zinc/43/12/52/345431252.db2.gz YDSXGYONEVBCEV-UHFFFAOYSA-N 1 0 299.418 3.332 50 0 CGAARO COC1(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)CCOCC1 ZINC000091401452 345812660 /nfs/dbraw/zinc/81/26/60/345812660.db2.gz BKFXYSMNYJSWEZ-CYBMUJFWSA-N 1 0 297.826 3.056 50 0 CGAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]CC(C)(C)CC)cn1 ZINC000089941997 345776529 /nfs/dbraw/zinc/77/65/29/345776529.db2.gz VPIUGYURSBUTHW-ZFWWWQNUSA-N 1 0 279.428 3.006 50 0 CGAARO COc1ccc(C[C@H](C[NH+](C)C)C(=O)c2ccccc2)cc1 ZINC000096027123 345901627 /nfs/dbraw/zinc/90/16/27/345901627.db2.gz AQJULULEOVEGFR-QGZVFWFLSA-N 1 0 297.398 3.298 50 0 CGAARO [NH2+]=C1SCCN1Cc1c(Cl)cccc1Cl ZINC000096027868 345901941 /nfs/dbraw/zinc/90/19/41/345901941.db2.gz QNBDDSPDBPAXOI-UHFFFAOYSA-N 1 0 261.177 3.477 50 0 CGAARO Cc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3C[NH3+])c2)o1 ZINC000097568946 185628349 /nfs/dbraw/zinc/62/83/49/185628349.db2.gz XIOMFXAESLGZGO-INIZCTEOSA-N 1 0 298.386 3.208 50 0 CGAARO Brc1ccc(OCCC[NH+]2CCCCC2)nc1 ZINC000165451529 346184893 /nfs/dbraw/zinc/18/48/93/346184893.db2.gz ANDSAUQPNOHQPJ-UHFFFAOYSA-N 1 0 299.212 3.099 50 0 CGAARO Cc1cc(N[C@@H]2CC[C@H](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608786 346195087 /nfs/dbraw/zinc/19/50/87/346195087.db2.gz QWLSSTXXUSLTKE-GOEBONIOSA-N 1 0 287.451 3.347 50 0 CGAARO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)NCC1CCCCC1 ZINC000170643501 346196206 /nfs/dbraw/zinc/19/62/06/346196206.db2.gz PBHJNVJSCQHIMB-KRWDZBQOSA-N 1 0 292.467 3.338 50 0 CGAARO Cc1ccc(-c2cccc(C(=O)N(C)C3CC[NH2+]CC3)c2)o1 ZINC000097784956 185668403 /nfs/dbraw/zinc/66/84/03/185668403.db2.gz GQLSIUBPYAFWHW-UHFFFAOYSA-N 1 0 298.386 3.079 50 0 CGAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000229913070 346319175 /nfs/dbraw/zinc/31/91/75/346319175.db2.gz IGGWDIYMJQVBRP-IUODEOHRSA-N 1 0 298.390 3.283 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000248163747 346374292 /nfs/dbraw/zinc/37/42/92/346374292.db2.gz SOMIQBUNLJYMMR-YVECIDJPSA-N 1 0 271.470 3.310 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1nc2ccccc2o1 ZINC000253369766 346394444 /nfs/dbraw/zinc/39/44/44/346394444.db2.gz HYJRENBHCKGJLF-AVGNSLFASA-N 1 0 274.364 3.030 50 0 CGAARO Cc1cnc(C2CC2)n1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000409421179 346605386 /nfs/dbraw/zinc/60/53/86/346605386.db2.gz WNQKWERUJSHIIT-KRWDZBQOSA-N 1 0 296.418 3.301 50 0 CGAARO c1csc(-c2nc(C[NH2+]C3CCCCC3)no2)c1 ZINC000281217959 232565252 /nfs/dbraw/zinc/56/52/52/232565252.db2.gz TXPWUIKHSAHKHZ-UHFFFAOYSA-N 1 0 263.366 3.220 50 0 CGAARO [NH3+][C@H]1CCC[C@@H](c2nc(C3CCCCCC3)no2)C1 ZINC000087945561 179528124 /nfs/dbraw/zinc/52/81/24/179528124.db2.gz RFIBPDJUEYYACE-OLZOCXBDSA-N 1 0 263.385 3.492 50 0 CGAARO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000090858069 180046903 /nfs/dbraw/zinc/04/69/03/180046903.db2.gz AGBAYERCPNQLQL-AFAVFJNCSA-N 1 0 290.407 3.253 50 0 CGAARO c1ccc(C[N@H+]2CCCC[C@H]2CCNc2ccncn2)cc1 ZINC000091587245 180200179 /nfs/dbraw/zinc/20/01/79/180200179.db2.gz SIPFNWJLQRVBGH-KRWDZBQOSA-N 1 0 296.418 3.333 50 0 CGAARO Cc1nc(CC2CCCC2)n(-c2cc[nH+]cc2C)n1 ZINC000091693979 180228876 /nfs/dbraw/zinc/22/88/76/180228876.db2.gz JDBBSWMRBPTXCJ-UHFFFAOYSA-N 1 0 256.353 3.012 50 0 CGAARO C[C@@H](c1cccc(-c2cn(Cc3ccoc3)nn2)c1)[NH+](C)C ZINC000092001421 180303497 /nfs/dbraw/zinc/30/34/97/180303497.db2.gz ZIOXIVPWKQLDTC-ZDUSSCGKSA-N 1 0 296.374 3.209 50 0 CGAARO O=C(NCC1=CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299802609 200879416 /nfs/dbraw/zinc/87/94/16/200879416.db2.gz SQPZMYKBQVOHKY-SFHVURJKSA-N 1 0 298.430 3.268 50 0 CGAARO C[C@H]1CC([NH2+]Cc2sccc2Cl)C[C@H](C)O1 ZINC000193199443 189637458 /nfs/dbraw/zinc/63/74/58/189637458.db2.gz JMVPNOZEBIXYQU-IUCAKERBSA-N 1 0 259.802 3.447 50 0 CGAARO Nc1ncccc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000451068481 240212271 /nfs/dbraw/zinc/21/22/71/240212271.db2.gz ZQMMXGPKBUDKKY-CYBMUJFWSA-N 1 0 287.794 3.307 50 0 CGAARO Nc1[nH+]c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000000233368 368320672 /nfs/dbraw/zinc/32/06/72/368320672.db2.gz RHYRBJPJWNQOPR-UHFFFAOYSA-N 1 0 287.750 3.351 50 0 CGAARO CC[C@@H](c1noc(CC[NH+](CC)CC)n1)c1ccccc1 ZINC000000000678 368269633 /nfs/dbraw/zinc/26/96/33/368269633.db2.gz OLTAWOVKGWWERU-OAHLLOKOSA-N 1 0 287.407 3.496 50 0 in-man CGAARO C[NH+](C)CCOC(=O)c1sc2ccccc2c1Cl ZINC000000195505 368313190 /nfs/dbraw/zinc/31/31/90/368313190.db2.gz PADDSAMWWZFBND-UHFFFAOYSA-N 1 0 283.780 3.273 50 0 CGAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000000252413 368325455 /nfs/dbraw/zinc/32/54/55/368325455.db2.gz ITPCPUZQSFRMJO-KRWDZBQOSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000000259071 368326707 /nfs/dbraw/zinc/32/67/07/368326707.db2.gz XJOZTHJBECQNIE-UHFFFAOYSA-N 1 0 299.370 3.162 50 0 CGAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000000330564 368342064 /nfs/dbraw/zinc/34/20/64/368342064.db2.gz OVTVITATUYGACO-MRXNPFEDSA-N 1 0 286.419 3.105 50 0 CGAARO C[C@H](Cc1ccccc1[S@](=O)c1ccccc1)[NH+](C)C ZINC000000347809 368346021 /nfs/dbraw/zinc/34/60/21/368346021.db2.gz FIQXYWPZJOQLQV-VLIAUNLRSA-N 1 0 287.428 3.346 50 0 CGAARO Cn1c(-c2ccc(F)cc2)c[n+]2cc(Cl)ccc12 ZINC000000480123 368376406 /nfs/dbraw/zinc/37/64/06/368376406.db2.gz XPCUQHUAHHUGLR-UHFFFAOYSA-N 1 0 261.707 3.223 50 0 CGAARO CCOC(=O)N1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000000757871 368395038 /nfs/dbraw/zinc/39/50/38/368395038.db2.gz XBGKIULXRSXZJJ-CQSZACIVSA-N 1 0 290.407 3.001 50 0 CGAARO O[C@]1(c2ccccc2)Cc2cccc[n+]2[C@H]1c1ccccc1 ZINC000001293933 368406044 /nfs/dbraw/zinc/40/60/44/368406044.db2.gz VFMVDWUMTCHNKD-PMACEKPBSA-N 1 0 288.370 3.007 50 0 CGAARO CCC[NH+]1CCC(N(C(=O)c2ccccc2)C2CC2)CC1 ZINC000001741542 368436770 /nfs/dbraw/zinc/43/67/70/368436770.db2.gz XSJUOIHFJXXWOM-UHFFFAOYSA-N 1 0 286.419 3.166 50 0 CGAARO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2n1C ZINC000001803506 368439165 /nfs/dbraw/zinc/43/91/65/368439165.db2.gz BAMFXXYOYNDFRL-CQSZACIVSA-N 1 0 288.439 3.496 50 0 CGAARO CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CC1 ZINC000002784960 368477887 /nfs/dbraw/zinc/47/78/87/368477887.db2.gz YRGRUSHRRKAXGY-UHFFFAOYSA-N 1 0 278.371 3.276 50 0 CGAARO CC(=O)c1ccccc1OCCC[NH+]1CCCCC1 ZINC000002846151 368481609 /nfs/dbraw/zinc/48/16/09/368481609.db2.gz DMCIANMTLSTYCD-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CCCC[NH2+]CCOCCOc1cc(C)ccc1Cl ZINC000002981015 368486570 /nfs/dbraw/zinc/48/65/70/368486570.db2.gz CDDMIYDQUDYYPN-UHFFFAOYSA-N 1 0 285.815 3.434 50 0 CGAARO CCc1cccc(OCCCC[NH2+]CCCOC)c1 ZINC000003003352 368488256 /nfs/dbraw/zinc/48/82/56/368488256.db2.gz LHTCYYGJPZPGMG-UHFFFAOYSA-N 1 0 265.397 3.034 50 0 CGAARO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000003221521 368497543 /nfs/dbraw/zinc/49/75/43/368497543.db2.gz IGGSFGATAZOTDO-HNNXBMFYSA-N 1 0 282.387 3.454 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000003395557 368506235 /nfs/dbraw/zinc/50/62/35/368506235.db2.gz HZLNHHAVICFFEX-IAGOWNOFSA-N 1 0 299.414 3.394 50 0 CGAARO Brc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000004681891 368556574 /nfs/dbraw/zinc/55/65/74/368556574.db2.gz VDFMUMFQQRGUBM-UHFFFAOYSA-N 1 0 254.171 3.481 50 0 CGAARO COC(=O)C[C@H]([NH3+])c1ccc(F)c(Oc2ccccc2)c1 ZINC000004775486 368558305 /nfs/dbraw/zinc/55/83/05/368558305.db2.gz RYDWAJUCDLIGFW-AWEZNQCLSA-N 1 0 289.306 3.181 50 0 CGAARO CC(=O)c1cccc(OCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004870336 368558850 /nfs/dbraw/zinc/55/88/50/368558850.db2.gz BISMXCWBLKDMJP-CQSZACIVSA-N 1 0 275.392 3.390 50 0 CGAARO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203039 368537115 /nfs/dbraw/zinc/53/71/15/368537115.db2.gz MHRKPCRXBAHJGS-OAHLLOKOSA-N 1 0 290.407 3.033 50 0 CGAARO CC(C)C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000004550810 368550526 /nfs/dbraw/zinc/55/05/26/368550526.db2.gz XCMADILOXAPSGO-UHFFFAOYSA-N 1 0 280.456 3.193 50 0 CGAARO CC1(C)CC(Nc2ncnc3sccc32)CC(C)(C)[NH2+]1 ZINC000005937706 368565664 /nfs/dbraw/zinc/56/56/64/368565664.db2.gz UKHSVNFAODVSMH-UHFFFAOYSA-N 1 0 290.436 3.412 50 0 CGAARO CN(C)c1ncccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000011878332 368598426 /nfs/dbraw/zinc/59/84/26/368598426.db2.gz VFYLWUKBUUCSFP-UHFFFAOYSA-N 1 0 275.783 3.091 50 0 CGAARO CCOc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000016663062 368720178 /nfs/dbraw/zinc/72/01/78/368720178.db2.gz RTDCZUIPGZOYRU-CYBMUJFWSA-N 1 0 263.381 3.468 50 0 CGAARO Cc1cccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000014161790 368676019 /nfs/dbraw/zinc/67/60/19/368676019.db2.gz BURMBXPJHRUFMW-UHFFFAOYSA-N 1 0 297.402 3.378 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000017311560 368731027 /nfs/dbraw/zinc/73/10/27/368731027.db2.gz PUWKDPZLHSBHHV-UHFFFAOYSA-N 1 0 272.323 3.074 50 0 CGAARO CC(C)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019883240 368775575 /nfs/dbraw/zinc/77/55/75/368775575.db2.gz IOJPFNKMZUEGMO-UHFFFAOYSA-N 1 0 260.150 3.334 50 0 CGAARO COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019788378 368765652 /nfs/dbraw/zinc/76/56/52/368765652.db2.gz MIWUWBZSRBUWPP-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO Cn1cc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000019842222 368771881 /nfs/dbraw/zinc/77/18/81/368771881.db2.gz JCOYDMXAJOSYHJ-OAHLLOKOSA-N 1 0 289.448 3.469 50 0 CGAARO CC[N@H+](CCCCO)CCCCCc1ccccc1 ZINC000019143561 368744004 /nfs/dbraw/zinc/74/40/04/368744004.db2.gz GZZPPOVMWQIYDY-UHFFFAOYSA-N 1 0 263.425 3.494 50 0 CGAARO Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019210271 368745909 /nfs/dbraw/zinc/74/59/09/368745909.db2.gz IUIXXOOAMJLMMO-UHFFFAOYSA-N 1 0 258.409 3.055 50 0 CGAARO CCc1ccc(CN2CC[NH+]([C@@H](C)CC)CC2)cc1 ZINC000019360040 368749756 /nfs/dbraw/zinc/74/97/56/368749756.db2.gz FPBUCEOKBFTNMC-HNNXBMFYSA-N 1 0 260.425 3.165 50 0 CGAARO C[NH+]1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000019359751 368749928 /nfs/dbraw/zinc/74/99/28/368749928.db2.gz USMHBGAJRBLMKH-UHFFFAOYSA-N 1 0 296.414 3.013 50 0 CGAARO CC[NH+]1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019536768 368756965 /nfs/dbraw/zinc/75/69/65/368756965.db2.gz XBLKBMBUPONWOS-UHFFFAOYSA-N 1 0 280.415 3.491 50 0 CGAARO COc1ccccc1CN[C@@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000022933029 368813972 /nfs/dbraw/zinc/81/39/72/368813972.db2.gz DTQNEFOKTXXQKV-IEBWSBKVSA-N 1 0 296.414 3.278 50 0 in-vitro CGAARO COc1cc(C[NH2+][C@H]2CCc3ccccc3C2)cc(OC)c1 ZINC000023283006 368820494 /nfs/dbraw/zinc/82/04/94/368820494.db2.gz YKNLGOPBXVCKRG-KRWDZBQOSA-N 1 0 297.398 3.351 50 0 CGAARO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000023652688 368823471 /nfs/dbraw/zinc/82/34/71/368823471.db2.gz AUAAKIIURLFASQ-HNNXBMFYSA-N 1 0 282.387 3.275 50 0 CGAARO CC[NH+](CC)CCNCc1ccc(Cl)c(Cl)c1 ZINC000019919140 368784410 /nfs/dbraw/zinc/78/44/10/368784410.db2.gz NNLSWOKOLBTIRH-UHFFFAOYSA-N 1 0 275.223 3.425 50 0 CGAARO COc1ccc2cc(C[NH2+]C3CCC(O)CC3)ccc2c1 ZINC000019918443 368784915 /nfs/dbraw/zinc/78/49/15/368784915.db2.gz RARANPDAAYCPQT-UHFFFAOYSA-N 1 0 285.387 3.242 50 0 CGAARO CCC(CC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027664240 368873876 /nfs/dbraw/zinc/87/38/76/368873876.db2.gz VUTCCVAQFVJLHL-AWEZNQCLSA-N 1 0 294.464 3.437 50 0 CGAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000033883462 368969843 /nfs/dbraw/zinc/96/98/43/368969843.db2.gz DXRDGZFKNHRXPM-CQSZACIVSA-N 1 0 255.361 3.416 50 0 CGAARO CCc1ccc2nc(NCCC[NH+](C)C)sc2c1 ZINC000034936060 368980593 /nfs/dbraw/zinc/98/05/93/368980593.db2.gz BJXFOJTUSBBQBK-UHFFFAOYSA-N 1 0 263.410 3.222 50 0 CGAARO COc1ccc(N)c(C[C@H]2c3ccccc3CC[N@H+]2C)c1 ZINC000031829666 368919650 /nfs/dbraw/zinc/91/96/50/368919650.db2.gz JXUZONMCSRNDCO-SFHVURJKSA-N 1 0 282.387 3.049 50 0 CGAARO O[C@@H](C[NH2+]C1CCCCCC1)c1ccccc1F ZINC000032106726 368923258 /nfs/dbraw/zinc/92/32/58/368923258.db2.gz WJTZGFXACDFTBO-HNNXBMFYSA-N 1 0 251.345 3.172 50 0 CGAARO COc1ccc(-c2cn[nH]c2)cc1C[NH2+]C1CCCC1 ZINC000032498362 368932456 /nfs/dbraw/zinc/93/24/56/368932456.db2.gz LNPSJOLLQCYQQQ-UHFFFAOYSA-N 1 0 271.364 3.118 50 0 CGAARO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)c1 ZINC000032850961 368948215 /nfs/dbraw/zinc/94/82/15/368948215.db2.gz BFHVHWIWPJTAGT-AWEZNQCLSA-N 1 0 282.387 3.253 50 0 CGAARO COC(=O)c1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000035122337 368998489 /nfs/dbraw/zinc/99/84/89/368998489.db2.gz JMBXICSKYRYIHG-UHFFFAOYSA-N 1 0 275.373 3.167 50 0 CGAARO CCC1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000035054413 368994867 /nfs/dbraw/zinc/99/48/67/368994867.db2.gz RGSLDNZQXIXCOF-UHFFFAOYSA-N 1 0 250.430 3.172 50 0 CGAARO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037621673 369093493 /nfs/dbraw/zinc/09/34/93/369093493.db2.gz DEPBSPZANBXPOQ-IINYFYTJSA-N 1 0 268.426 3.060 50 0 CGAARO Cc1ccsc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648348 369094867 /nfs/dbraw/zinc/09/48/67/369094867.db2.gz BKYLYIXDELBSQO-NSHDSACASA-N 1 0 292.370 3.030 50 0 CGAARO c1cc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)co1 ZINC000039393352 369150229 /nfs/dbraw/zinc/15/02/29/369150229.db2.gz AEXARQCLUBEQFW-SFHVURJKSA-N 1 0 296.414 3.001 50 0 CGAARO [NH3+]C1(c2noc(CC3CCCC3)n2)CCCCCC1 ZINC000041155648 369176763 /nfs/dbraw/zinc/17/67/63/369176763.db2.gz RQLDZHWDPFRKAY-UHFFFAOYSA-N 1 0 263.385 3.311 50 0 CGAARO CCc1cc(Cl)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775227 369232195 /nfs/dbraw/zinc/23/21/95/369232195.db2.gz CQDADBJHJYRDLV-LLVKDONJSA-N 1 0 253.773 3.281 50 0 CGAARO Brc1cccc(C[NH2+]C2CCSCC2)c1 ZINC000042418830 369220615 /nfs/dbraw/zinc/22/06/15/369220615.db2.gz XJKDUMIAPTWFIW-UHFFFAOYSA-N 1 0 286.238 3.434 50 0 CGAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(C)c1C ZINC000043136458 369242122 /nfs/dbraw/zinc/24/21/22/369242122.db2.gz CDYYRUCPPKTWMS-ZDUSSCGKSA-N 1 0 277.412 3.155 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(F)cc2)o1 ZINC000042890628 369236799 /nfs/dbraw/zinc/23/67/99/369236799.db2.gz MNPPUPUTGRSCKS-UHFFFAOYSA-N 1 0 299.349 3.450 50 0 CGAARO CCc1nc(CN2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000052004008 369461323 /nfs/dbraw/zinc/46/13/23/369461323.db2.gz WYVQUBAZXIEZCM-UHFFFAOYSA-N 1 0 293.480 3.156 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000054610081 369504815 /nfs/dbraw/zinc/50/48/15/369504815.db2.gz KUIZPLFGTOOLPY-ZFWWWQNUSA-N 1 0 298.390 3.286 50 0 CGAARO CCC[N@H+](CCOC)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055053710 369508696 /nfs/dbraw/zinc/50/86/96/369508696.db2.gz HCHLNJTWZWWTGQ-UHFFFAOYSA-N 1 0 299.418 3.310 50 0 CGAARO CCCOc1cccc(C[NH2+]CCOc2ccccn2)c1 ZINC000057353356 369536166 /nfs/dbraw/zinc/53/61/66/369536166.db2.gz WEOCJWALTPOFNX-UHFFFAOYSA-N 1 0 286.375 3.039 50 0 CGAARO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000057435564 369538018 /nfs/dbraw/zinc/53/80/18/369538018.db2.gz OLPRWBZYBDFSKS-NSHDSACASA-N 1 0 290.313 3.254 50 0 CGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCc2ccccc2)c1 ZINC000055402828 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369678394 /nfs/dbraw/zinc/67/83/94/369678394.db2.gz VQPRJEMRRYEWQR-UHFFFAOYSA-N 1 0 297.406 3.091 50 0 CGAARO CNC(=O)CC1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000065503395 369681303 /nfs/dbraw/zinc/68/13/03/369681303.db2.gz ZXQLIUJUWOVRSS-HNNXBMFYSA-N 1 0 288.435 3.028 50 0 CGAARO Cc1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1Cl ZINC000066212177 369689764 /nfs/dbraw/zinc/68/97/64/369689764.db2.gz AWMAJVFVTHRRAA-UHFFFAOYSA-N 1 0 288.778 3.377 50 0 CGAARO C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000069878633 369773174 /nfs/dbraw/zinc/77/31/74/369773174.db2.gz NOHGGNUSUBGQEF-OAHLLOKOSA-N 1 0 280.371 3.244 50 0 CGAARO C[N@@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000067678557 369723803 /nfs/dbraw/zinc/72/38/03/369723803.db2.gz TTWVXTYWEGOPDA-UHFFFAOYSA-N 1 0 273.361 3.363 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc(C)c1O ZINC000067871684 369734067 /nfs/dbraw/zinc/73/40/67/369734067.db2.gz SCJVGSXGJNNLPN-OAHLLOKOSA-N 1 0 285.391 3.112 50 0 CGAARO 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CGAARO C[C@@H]([NH2+]C1CCSCC1)c1cccc(-n2ccnc2)c1 ZINC000096478777 533342565 /nfs/dbraw/zinc/34/25/65/533342565.db2.gz ISOAJGVMCMURJY-CYBMUJFWSA-N 1 0 287.432 3.419 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000004205833 391918422 /nfs/dbraw/zinc/91/84/22/391918422.db2.gz HLJWXVNLMPURGL-YRGRVCCFSA-N 1 0 261.365 3.330 50 0 CGAARO C[C@H]([NH2+]CCCn1cccn1)c1cc2ccccc2o1 ZINC000095419845 392242573 /nfs/dbraw/zinc/24/25/73/392242573.db2.gz FBCHGWGMZXTVGP-ZDUSSCGKSA-N 1 0 269.348 3.370 50 0 CGAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000071857568 392191670 /nfs/dbraw/zinc/19/16/70/392191670.db2.gz LREUFWQPTRHVSA-QAPCUYQASA-N 1 0 281.403 3.007 50 0 CGAARO C[C@@H](c1cccc(-c2ccc3[nH]nc(N)c3c2)c1)[NH+](C)C ZINC000096150513 392245392 /nfs/dbraw/zinc/24/53/92/392245392.db2.gz PXGDZFHSEURDRN-NSHDSACASA-N 1 0 280.375 3.435 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCn1ccnc1 ZINC000096489349 392255918 /nfs/dbraw/zinc/25/59/18/392255918.db2.gz 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/nfs/dbraw/zinc/40/88/90/292408890.db2.gz OMWNGTUZKMDUPR-HNNXBMFYSA-N 1 0 267.376 3.227 50 0 CGAARO [NH3+]CCCCCc1nnc(SCc2cccc(F)c2)o1 ZINC000002427911 169791614 /nfs/dbraw/zinc/79/16/14/169791614.db2.gz DMLFKKJPEZVWPJ-UHFFFAOYSA-N 1 0 295.383 3.173 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000003338989 169880766 /nfs/dbraw/zinc/88/07/66/169880766.db2.gz NZVHWGLGSMATGM-KGLIPLIRSA-N 1 0 290.407 3.192 50 0 CGAARO CCCCCOc1ccc([C@@H]([NH3+])CC(=O)OCC)cc1 ZINC000004237692 169946942 /nfs/dbraw/zinc/94/69/42/169946942.db2.gz RYEWPPLPDBQYHE-HNNXBMFYSA-N 1 0 279.380 3.209 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1ccc(Cl)cc1Cl ZINC000004794882 170018461 /nfs/dbraw/zinc/01/84/61/170018461.db2.gz OMDIGJMWTXLDGB-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO CC(C)(C)c1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000004868755 170034063 /nfs/dbraw/zinc/03/40/63/170034063.db2.gz SIWHVKSXNQVHSU-INIZCTEOSA-N 1 0 277.408 3.132 50 0 CGAARO Cc1ccc(C)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000004988788 170049259 /nfs/dbraw/zinc/04/92/59/170049259.db2.gz ZEKWMEGSYHTUST-UHFFFAOYSA-N 1 0 269.388 3.298 50 0 CGAARO CC[C@H]([NH2+]C1CCCCC1)C(=O)NC1CCCCC1 ZINC000004989612 170049860 /nfs/dbraw/zinc/04/98/60/170049860.db2.gz WLFLQCITFQPYCC-HNNXBMFYSA-N 1 0 266.429 3.136 50 0 CGAARO C[NH2+]CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000005140939 170070572 /nfs/dbraw/zinc/07/05/72/170070572.db2.gz UICFCNIVUDNZSW-CQSZACIVSA-N 1 0 260.768 3.476 50 0 in-vitro CGAARO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000005729831 170134485 /nfs/dbraw/zinc/13/44/85/170134485.db2.gz CERNYGYBEWSHHI-AWEZNQCLSA-N 1 0 285.387 3.053 50 0 CGAARO CC(C)[C@@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006049958 170172033 /nfs/dbraw/zinc/17/20/33/170172033.db2.gz DRDZLWHKMAXEAT-GOSISDBHSA-N 1 0 295.382 3.325 50 0 CGAARO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3C)o2)cc1 ZINC000006662844 170223626 /nfs/dbraw/zinc/22/36/26/170223626.db2.gz ZYSRMAAUYLSEGT-CYBMUJFWSA-N 1 0 271.364 3.419 50 0 CGAARO CSc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000006667436 170224240 /nfs/dbraw/zinc/22/42/40/170224240.db2.gz IACRQLBSMMHLDH-UHFFFAOYSA-N 1 0 272.417 3.478 50 0 CGAARO CCC[NH+]1CCC(NC(=O)Nc2cc(C)ccc2C)CC1 ZINC000006698842 170227918 /nfs/dbraw/zinc/22/79/18/170227918.db2.gz WVGCKCXUPSORNK-UHFFFAOYSA-N 1 0 289.423 3.299 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2C)cc1 ZINC000007783403 170302573 /nfs/dbraw/zinc/30/25/73/170302573.db2.gz YVGVCIRXGCUGLL-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO CCCC[NH2+]CCOc1ccc(Br)cc1 ZINC000008750501 170354271 /nfs/dbraw/zinc/35/42/71/170354271.db2.gz PMDASJYPRBOGRK-UHFFFAOYSA-N 1 0 272.186 3.218 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+](C)C)cc1 ZINC000010017818 170395233 /nfs/dbraw/zinc/39/52/33/170395233.db2.gz XKWVEWGNKMHXEM-GOSISDBHSA-N 1 0 296.414 3.336 50 0 CGAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]C/C=C/c1ccccc1)(C3)C2 ZINC000013728352 170582916 /nfs/dbraw/zinc/58/29/16/170582916.db2.gz VYTXXFKDTFYBJT-CFFJQEFOSA-N 1 0 283.415 3.373 50 0 CGAARO Clc1cccc(OCC2CC[NH2+]CC2)c1Cl ZINC000014631415 170640503 /nfs/dbraw/zinc/64/05/03/170640503.db2.gz MAKAFXVPERMJRT-UHFFFAOYSA-N 1 0 260.164 3.372 50 0 CGAARO COc1cccc(C[C@H]2C[N@@H+](C3CCCCC3)CCO2)c1 ZINC000020774127 171272090 /nfs/dbraw/zinc/27/20/90/171272090.db2.gz HLSIBMGKWZNRAA-SFHVURJKSA-N 1 0 289.419 3.271 50 0 CGAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1F ZINC000022149216 171357911 /nfs/dbraw/zinc/35/79/11/171357911.db2.gz XRLWPFDRVNNGIH-UHFFFAOYSA-N 1 0 260.150 3.476 50 0 CGAARO CC(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584264 171523827 /nfs/dbraw/zinc/52/38/27/171523827.db2.gz HSMAJDRTZZPUIF-CYBMUJFWSA-N 1 0 280.437 3.047 50 0 CGAARO Cc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2[nH+]1 ZINC000032902979 171759296 /nfs/dbraw/zinc/75/92/96/171759296.db2.gz SOKPTMISQZEHQR-UHFFFAOYSA-N 1 0 290.326 3.456 50 0 CGAARO CCC[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000034653380 171848235 /nfs/dbraw/zinc/84/82/35/171848235.db2.gz CQKTXDXPRADRGH-UHFFFAOYSA-N 1 0 256.349 3.160 50 0 CGAARO NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000035605785 172292731 /nfs/dbraw/zinc/29/27/31/172292731.db2.gz BNAFISCEJUAMMK-NSHDSACASA-N 1 0 288.416 3.075 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000037847939 173802429 /nfs/dbraw/zinc/80/24/29/173802429.db2.gz VBHNHRNINAVSQL-LZLYRXPVSA-N 1 0 291.435 3.211 50 0 CGAARO Cc1ccc([C@@](O)(CC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000038632605 174149687 /nfs/dbraw/zinc/14/96/87/174149687.db2.gz LOJXVYLBLFSBBB-IBGZPJMESA-N 1 0 296.414 3.112 50 0 CGAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C)ccc1C ZINC000040094988 174189781 /nfs/dbraw/zinc/18/97/81/174189781.db2.gz OAQLDJMRADQHAO-CQSZACIVSA-N 1 0 277.412 3.155 50 0 CGAARO CC(C)Oc1cccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000040153566 174194502 /nfs/dbraw/zinc/19/45/02/174194502.db2.gz UWVNGUXWFYOVCQ-INIZCTEOSA-N 1 0 289.419 3.475 50 0 CGAARO Brc1ccc(SC[C@H]2CCC[NH2+]2)cc1 ZINC000043497332 175058026 /nfs/dbraw/zinc/05/80/26/175058026.db2.gz QZKDADRRVBBPHI-SNVBAGLBSA-N 1 0 272.211 3.293 50 0 CGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089448 175393151 /nfs/dbraw/zinc/39/31/51/175393151.db2.gz DNCMDEZRJNZDNC-OAHLLOKOSA-N 1 0 286.400 3.184 50 0 CGAARO Cc1oc(C)c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1C ZINC000071853886 176278028 /nfs/dbraw/zinc/27/80/28/176278028.db2.gz IBYCNORVCHMVGQ-UHFFFAOYSA-N 1 0 292.423 3.009 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000071878786 176287017 /nfs/dbraw/zinc/28/70/17/176287017.db2.gz FIAAUUXCBAIBIJ-KRWDZBQOSA-N 1 0 299.418 3.383 50 0 CGAARO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)[C@@H](C)n1cccn1 ZINC000071882123 176288484 /nfs/dbraw/zinc/28/84/84/176288484.db2.gz AOBRIIQFHBLWKP-CHWSQXEVSA-N 1 0 298.365 3.310 50 0 CGAARO C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)[C@H](C)n1cccn1 ZINC000071882124 176288747 /nfs/dbraw/zinc/28/87/47/176288747.db2.gz AOBRIIQFHBLWKP-STQMWFEESA-N 1 0 298.365 3.310 50 0 CGAARO c1ccc(CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000072162936 176330624 /nfs/dbraw/zinc/33/06/24/176330624.db2.gz ZOQRWXNQTTZXQS-KRWDZBQOSA-N 1 0 252.361 3.461 50 0 CGAARO c1c2ccccc2oc1C[NH+]1CC(c2ccncc2)C1 ZINC000072168929 176332495 /nfs/dbraw/zinc/33/24/95/176332495.db2.gz UOLWZYAOBYYDAP-UHFFFAOYSA-N 1 0 264.328 3.427 50 0 CGAARO CC(C)[NH+]1CCC(c2cccc(Br)n2)CC1 ZINC000072343839 176372155 /nfs/dbraw/zinc/37/21/55/176372155.db2.gz HGXISASHHSSCMD-UHFFFAOYSA-N 1 0 283.213 3.432 50 0 CGAARO CC(C)SCC[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077525228 177277976 /nfs/dbraw/zinc/27/79/76/177277976.db2.gz MAZXZRDRHXXDSJ-HNNXBMFYSA-N 1 0 281.469 3.269 50 0 CGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000685939698 544110298 /nfs/dbraw/zinc/11/02/98/544110298.db2.gz XSLQAIBXVGYWQJ-NUEKZKHPSA-N 1 0 287.403 3.184 50 0 CGAARO Cc1cccn2c(=O)cc(C[N@H+](C)CC3CCCCC3)nc12 ZINC000013002870 260067306 /nfs/dbraw/zinc/06/73/06/260067306.db2.gz FXLMLYFGYUGNCQ-UHFFFAOYSA-N 1 0 299.418 3.015 50 0 CGAARO CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCC1 ZINC000322353488 270093683 /nfs/dbraw/zinc/09/36/83/270093683.db2.gz FDXPSEVHMKDAPB-MRXNPFEDSA-N 1 0 295.448 3.149 50 0 CGAARO c1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000023281916 266023278 /nfs/dbraw/zinc/02/32/78/266023278.db2.gz GCVAXLFIWWJEED-MRXNPFEDSA-N 1 0 256.393 3.165 50 0 CGAARO CC(C)[NH2+]C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000012382635 273540012 /nfs/dbraw/zinc/54/00/12/273540012.db2.gz ABMCIRKIKYQIOE-INIZCTEOSA-N 1 0 285.387 3.091 50 0 CGAARO C[C@@H]([C@H](O)c1cccc2c1CCCC2)[NH+]1CCCCC1 ZINC000001278197 274275353 /nfs/dbraw/zinc/27/53/53/274275353.db2.gz AJNWUQVKWIOTNU-KSSFIOAISA-N 1 0 273.420 3.473 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717107 276109709 /nfs/dbraw/zinc/10/97/09/276109709.db2.gz GBSCVROOOWRRTP-UHFFFAOYSA-N 1 0 262.328 3.230 50 0 CGAARO C[C@@H](c1ccc(-c2ncn(C)n2)cc1)[NH+]1CCCCC1 ZINC000426512307 277646543 /nfs/dbraw/zinc/64/65/43/277646543.db2.gz QYGQULUKZUQRNN-ZDUSSCGKSA-N 1 0 270.380 3.029 50 0 CGAARO CC(C)OC1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000097084643 277673467 /nfs/dbraw/zinc/67/34/67/277673467.db2.gz USLABRYOPJHLAN-ROKHWSDSSA-N 1 0 257.443 3.208 50 0 CGAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1O ZINC000000188097 277929457 /nfs/dbraw/zinc/92/94/57/277929457.db2.gz FOALAHSBSSUICF-KRWDZBQOSA-N 1 0 294.354 3.117 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)OC[C@@]1(C)CC1(Cl)Cl ZINC000408525573 279134132 /nfs/dbraw/zinc/13/41/32/279134132.db2.gz DBYVTCJOGRAULO-CMPLNLGQSA-N 1 0 296.238 3.125 50 0 CGAARO C[C@H](C[NH2+]Cc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000191155606 279347635 /nfs/dbraw/zinc/34/76/35/279347635.db2.gz FQXQJMOHKQHZNM-LLVKDONJSA-N 1 0 295.308 3.389 50 0 CGAARO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000251327595 279439137 /nfs/dbraw/zinc/43/91/37/279439137.db2.gz OVMTXBDKVCLWTK-IJLUTSLNSA-N 1 0 263.303 3.390 50 0 CGAARO Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)cnn1C ZINC000355219723 280226207 /nfs/dbraw/zinc/22/62/07/280226207.db2.gz ZBNHXNIDMQGJBX-KRWDZBQOSA-N 1 0 283.419 3.354 50 0 CGAARO COc1ccnc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)n1 ZINC000534639133 328334831 /nfs/dbraw/zinc/33/48/31/328334831.db2.gz ADGBHLAKJMOIJT-CYBMUJFWSA-N 1 0 283.375 3.309 50 0 CGAARO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000096478197 533790312 /nfs/dbraw/zinc/79/03/12/533790312.db2.gz VSDRMNIVGJBVCO-GWCFXTLKSA-N 1 0 273.829 3.105 50 0 CGAARO CN(C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000019872469 521789362 /nfs/dbraw/zinc/78/93/62/521789362.db2.gz CZVIXQPXXMLTCE-UHFFFAOYSA-N 1 0 278.783 3.251 50 0 CGAARO Cc1ccsc1C[N@@H+](C)Cc1c(C)noc1C ZINC000061798656 525840136 /nfs/dbraw/zinc/84/01/36/525840136.db2.gz WOMZEBRIONPACL-UHFFFAOYSA-N 1 0 250.367 3.293 50 0 CGAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000012305902 526396473 /nfs/dbraw/zinc/39/64/73/526396473.db2.gz HZDCENKMVQMGIV-QGZVFWFLSA-N 1 0 285.366 3.297 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)[nH]n1 ZINC000084110836 567031272 /nfs/dbraw/zinc/03/12/72/567031272.db2.gz UHYRDCILNLILQG-DZGCQCFKSA-N 1 0 270.380 3.054 50 0 CGAARO CCO[C@H]1C[C@H]([NH2+]Cc2cccn2C)C12CCCCC2 ZINC000170015899 570361841 /nfs/dbraw/zinc/36/18/41/570361841.db2.gz KTDGNRSRFIPEHW-HOTGVXAUSA-N 1 0 276.424 3.243 50 0 CGAARO CC[N@H+](CCN1CCCC1)C[C@H](C)c1ccccc1 ZINC000952982542 615047689 /nfs/dbraw/zinc/04/76/89/615047689.db2.gz YDJASSFUOQTYME-INIZCTEOSA-N 1 0 260.425 3.208 50 0 CGAARO CCN(CC[NH+](CC)CC)Cc1ccc(F)cc1F ZINC000022027730 617898590 /nfs/dbraw/zinc/89/85/90/617898590.db2.gz UQPTTYWVBSNFOH-UHFFFAOYSA-N 1 0 270.367 3.129 50 0 CGAARO CCN1CC[NH+]([C@H](C)CC(C)(C)c2ccc(C)o2)CC1 ZINC000022027585 617898667 /nfs/dbraw/zinc/89/86/67/617898667.db2.gz ROCCUVNYKXFECJ-CQSZACIVSA-N 1 0 278.440 3.282 50 0 CGAARO COc1ccc(C(=O)[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000004197264 619095772 /nfs/dbraw/zinc/09/57/72/619095772.db2.gz GJTFPWQGSDQBFO-KRWDZBQOSA-N 1 0 283.371 3.051 50 0 CGAARO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000173529014 623329415 /nfs/dbraw/zinc/32/94/15/623329415.db2.gz JIIOFICGUGBRJZ-CQSZACIVSA-N 1 0 286.419 3.047 50 0 CGAARO C[C@@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982497 629721021 /nfs/dbraw/zinc/72/10/21/629721021.db2.gz PDSUKOBMJJSWLS-CZUORRHYSA-N 1 0 284.407 3.397 50 0 CGAARO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984673 629721169 /nfs/dbraw/zinc/72/11/69/629721169.db2.gz YNYIZDSUTPASDS-OLZOCXBDSA-N 1 0 291.420 3.224 50 0 CGAARO Cc1cccc(CN(C(=O)[C@@H]2CC[NH2+]2)C2CCCCC2)c1 ZINC000952988236 636777369 /nfs/dbraw/zinc/77/73/69/636777369.db2.gz PDBPEFZMCCOARO-KRWDZBQOSA-N 1 0 286.419 3.018 50 0 CGAARO c1coc([C@H](CC[NH2+]Cc2cnc[nH]2)c2ccccc2)c1 ZINC000952984621 636777430 /nfs/dbraw/zinc/77/74/30/636777430.db2.gz PYGZYPXRQRQHPC-MRXNPFEDSA-N 1 0 281.359 3.315 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)ccn1 ZINC000194844026 640556895 /nfs/dbraw/zinc/55/68/95/640556895.db2.gz BYUAHVMGMPJARU-MRXNPFEDSA-N 1 0 298.386 3.266 50 0 CGAARO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093809489 640781345 /nfs/dbraw/zinc/78/13/45/640781345.db2.gz FFJPXYMMZLVTDB-CYBMUJFWSA-N 1 0 280.437 3.248 50 0 CGAARO C[C@@H](c1cccc(-c2cncc(C(N)=O)c2)c1)[NH+]1CCCC1 ZINC000032598268 798849750 /nfs/dbraw/zinc/84/97/50/798849750.db2.gz DDZSWVRSWIKEEU-ZDUSSCGKSA-N 1 0 295.386 3.004 50 0 CGAARO Cc1cc(C)nc(C[N@H+](C)CC[C@H]2CC2(F)F)c1 ZINC000823702954 800469019 /nfs/dbraw/zinc/46/90/19/800469019.db2.gz OFHQDOPOCMPWGD-LBPRGKRZSA-N 1 0 254.324 3.176 50 0 CGAARO CC[C@@H]1CN(Cc2ccc(Cl)o2)CC[N@@H+]1C(C)C ZINC000952868233 800684710 /nfs/dbraw/zinc/68/47/10/800684710.db2.gz GPFWZANYODOAIQ-GFCCVEGCSA-N 1 0 270.804 3.238 50 0 CGAARO Cc1cnc(C)c(NCC2([NH+]3CCCCC3)CCCC2)n1 ZINC000825243026 928081492 /nfs/dbraw/zinc/08/14/92/928081492.db2.gz QWARLKJRFOEXMB-UHFFFAOYSA-N 1 0 288.439 3.304 50 0 CGAARO C1=CC[C@H](C[N@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC000200584900 928109480 /nfs/dbraw/zinc/10/94/80/928109480.db2.gz HAFRQGUGBPUMCX-IRXDYDNUSA-N 1 0 262.441 3.293 50 0 CGAARO COc1cc(F)ccc1CN(C)CC[N@H+](C)C1CCCC1 ZINC001506413791 937989880 /nfs/dbraw/zinc/98/98/80/937989880.db2.gz LGJQEMBGUXUSRQ-UHFFFAOYSA-N 1 0 294.414 3.141 50 0 CGAARO C[C@H](CN1CCCCCC1)[NH2+]CCCc1ccccc1 ZINC001506420162 937990087 /nfs/dbraw/zinc/99/00/87/937990087.db2.gz WNPOZNRNQJTDAX-QGZVFWFLSA-N 1 0 274.452 3.473 50 0 CGAARO CCCc1cc(N[C@@H]2CCC[N@@H+](CCC)C2)nc(C)n1 ZINC001506425956 937990186 /nfs/dbraw/zinc/99/01/86/937990186.db2.gz STYFCZMDTGKDAB-OAHLLOKOSA-N 1 0 276.428 3.024 50 0 CGAARO COc1ccc(F)cc1-c1ccc(-c2c[nH]c(N)[nH+]2)cc1 ZINC001529127004 938071253 /nfs/dbraw/zinc/07/12/53/938071253.db2.gz WPVNKJMGZPBFHV-UHFFFAOYSA-N 1 0 283.306 3.474 50 0 CGAARO C=Cc1ccc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC001529167305 938071449 /nfs/dbraw/zinc/07/14/49/938071449.db2.gz JEJUEDGJUYDUNN-JKSUJKDBSA-N 1 0 271.408 3.401 50 0 CGAARO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000005578630 230369667 /nfs/dbraw/zinc/36/96/67/230369667.db2.gz ZGBITCLDOGNTLC-WMZOPIPTSA-N 1 0 299.414 3.394 50 0 CGAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)c1ccco1 ZINC000096442741 230373486 /nfs/dbraw/zinc/37/34/86/230373486.db2.gz NDWAJTMPYSBQND-UHFFFAOYSA-N 1 0 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345776802 /nfs/dbraw/zinc/77/68/02/345776802.db2.gz XLMUFQSANCFRCN-KUHUBIRLSA-N 1 0 296.414 3.186 50 0 CGAARO CC(C)c1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000095467000 345899921 /nfs/dbraw/zinc/89/99/21/345899921.db2.gz ZFNLINVVDXPKCA-KBPBESRZSA-N 1 0 289.423 3.366 50 0 CGAARO CC(C)OC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000096026349 345901211 /nfs/dbraw/zinc/90/12/11/345901211.db2.gz DJYKCVGHGMMIJY-HNNXBMFYSA-N 1 0 261.365 3.165 50 0 CGAARO O=C(C[NH+]1CCCC1)C1(c2ccccc2)CCCC1 ZINC000096028008 345901902 /nfs/dbraw/zinc/90/19/02/345901902.db2.gz SIJWSWKZCFTMEO-UHFFFAOYSA-N 1 0 257.377 3.163 50 0 CGAARO O[C@@H](C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000096028042 345902005 /nfs/dbraw/zinc/90/20/05/345902005.db2.gz QPZCZYBNZLGGJY-KRWDZBQOSA-N 1 0 273.420 3.345 50 0 CGAARO Cc1nnc(C[NH2+]C(C2CCCC2)C2CCCC2)o1 ZINC000097373676 345907990 /nfs/dbraw/zinc/90/79/90/345907990.db2.gz KXPDMXOUDMHSQK-UHFFFAOYSA-N 1 0 263.385 3.217 50 0 CGAARO CCN(C(=O)c1oc2ccccc2c1C)[C@H](C)C[NH+](C)C ZINC000170608622 346194798 /nfs/dbraw/zinc/19/47/98/346194798.db2.gz XWABFUYCWROBHA-GFCCVEGCSA-N 1 0 288.391 3.153 50 0 CGAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000195575815 346274598 /nfs/dbraw/zinc/27/45/98/346274598.db2.gz DNNCXPVYZFDTGG-RDJZCZTQSA-N 1 0 292.467 3.215 50 0 CGAARO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)o1 ZINC000195575977 346274782 /nfs/dbraw/zinc/27/47/82/346274782.db2.gz RNFKDQHNZDGJQW-INIZCTEOSA-N 1 0 287.359 3.469 50 0 CGAARO Cc1ccc2cc(C[N@H+]3C[C@H](CO)CC[C@H]3C)ccc2n1 ZINC000225477950 346304442 /nfs/dbraw/zinc/30/44/42/346304442.db2.gz LZWOLBONRBOICD-GDBMZVCRSA-N 1 0 284.403 3.136 50 0 CGAARO COC[C@H](C)[NH2+]CCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000584892622 346722128 /nfs/dbraw/zinc/72/21/28/346722128.db2.gz MAMBQTTVNKAVPW-JTQLQIEISA-N 1 0 280.799 3.297 50 0 CGAARO CC(C)Cc1cc(C[NH2+][C@H]2CCN(c3ccccc3)C2)on1 ZINC000584897730 346723003 /nfs/dbraw/zinc/72/30/03/346723003.db2.gz IZIMGEHWGKEVRZ-HNNXBMFYSA-N 1 0 299.418 3.242 50 0 CGAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2ccccn2)C1 ZINC000091624728 180209510 /nfs/dbraw/zinc/20/95/10/180209510.db2.gz JHNNHEFGIXHXSK-QGZVFWFLSA-N 1 0 274.408 3.012 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)nc1 ZINC000091707924 180231065 /nfs/dbraw/zinc/23/10/65/180231065.db2.gz SGTKQPTXLJNCPC-GOSISDBHSA-N 1 0 288.435 3.019 50 0 CGAARO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000106861040 186142667 /nfs/dbraw/zinc/14/26/67/186142667.db2.gz LYXTWSAOPMYMMF-MAUKXSAKSA-N 1 0 296.418 3.422 50 0 CGAARO C[C@H](CCSc1ccccc1)[N@H+](C)Cc1cnccn1 ZINC000178307740 189104978 /nfs/dbraw/zinc/10/49/78/189104978.db2.gz XYMLGTRYESRJBI-CQSZACIVSA-N 1 0 287.432 3.479 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000000000174 368269900 /nfs/dbraw/zinc/26/99/00/368269900.db2.gz XYCMOTOFHFTUIU-JTQLQIEISA-N 1 0 292.206 3.121 50 0 in-man CGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000000239107 368321849 /nfs/dbraw/zinc/32/18/49/368321849.db2.gz KDSIZDBKLDINCS-KRWDZBQOSA-N 1 0 288.435 3.075 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000000241721 368322583 /nfs/dbraw/zinc/32/25/83/368322583.db2.gz OPLBNBRHSIQTKU-ZDUSSCGKSA-N 1 0 281.783 3.115 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000000176649 368309376 /nfs/dbraw/zinc/30/93/76/368309376.db2.gz SZRQXUGRQPIDLF-STQMWFEESA-N 1 0 278.371 3.132 50 0 CGAARO C[C@H](C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000000183107 368310841 /nfs/dbraw/zinc/31/08/41/368310841.db2.gz JMUPJFPFAHYZEU-OAHLLOKOSA-N 1 0 254.377 3.360 50 0 CGAARO CCCc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000000392510 368356438 /nfs/dbraw/zinc/35/64/38/368356438.db2.gz CKYNJEFSHAFVRA-MRXNPFEDSA-N 1 0 288.391 3.282 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000000517475 368382503 /nfs/dbraw/zinc/38/25/03/368382503.db2.gz OFWRWKIOGHBYNK-HOTGVXAUSA-N 1 0 273.376 3.108 50 0 CGAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000000757297 368393481 /nfs/dbraw/zinc/39/34/81/368393481.db2.gz JJLFRYWGPDLMCT-INIZCTEOSA-N 1 0 275.392 3.037 50 0 CGAARO CCC[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000000757223 368393796 /nfs/dbraw/zinc/39/37/96/368393796.db2.gz CKHJWDYYBWJWKB-ZDUSSCGKSA-N 1 0 264.388 3.351 50 0 CGAARO CCc1cc(Br)cc2c(CC[NH3+])c(C)[nH]c21 ZINC000001235022 368405223 /nfs/dbraw/zinc/40/52/23/368405223.db2.gz ACKQOFWBYVUXTK-UHFFFAOYSA-N 1 0 281.197 3.302 50 0 in-vitro CGAARO COc1ccc([C@@H](CC[NH3+])c2ccc(F)cc2)cc1 ZINC000002453272 368455524 /nfs/dbraw/zinc/45/55/24/368455524.db2.gz IYOIETVLDHFHQD-INIZCTEOSA-N 1 0 259.324 3.315 50 0 CGAARO COc1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000002513128 368458903 /nfs/dbraw/zinc/45/89/03/368458903.db2.gz ACZFLRIOOMQNMQ-UHFFFAOYSA-N 1 0 267.372 3.365 50 0 CGAARO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCCCC2)CC1 ZINC000002527166 368459938 /nfs/dbraw/zinc/45/99/38/368459938.db2.gz PBRXMHYPIOUDLQ-UHFFFAOYSA-N 1 0 282.428 3.308 50 0 CGAARO COc1cccc([C@H](C[NH3+])c2c[nH]c3ccccc32)c1OC ZINC000003281391 368500460 /nfs/dbraw/zinc/50/04/60/368500460.db2.gz PSUFOUIBIRKILS-AWEZNQCLSA-N 1 0 296.370 3.276 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000003338993 368503151 /nfs/dbraw/zinc/50/31/51/368503151.db2.gz NZVHWGLGSMATGM-KBPBESRZSA-N 1 0 290.407 3.192 50 0 CGAARO C[NH+](C)CCOCCSc1ccc(Cl)cc1 ZINC000002823572 368480389 /nfs/dbraw/zinc/48/03/89/368480389.db2.gz GLTFOWODAVBTIS-UHFFFAOYSA-N 1 0 259.802 3.010 50 0 CGAARO COCC[NH2+][C@H](C)CC[C@H](C)Oc1ccccc1C ZINC000002931033 368485966 /nfs/dbraw/zinc/48/59/66/368485966.db2.gz ANTMRAXUVFNIQR-CABCVRRESA-N 1 0 265.397 3.167 50 0 CGAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000003454093 368507829 /nfs/dbraw/zinc/50/78/29/368507829.db2.gz LWLUTXFFXVFYMD-INIZCTEOSA-N 1 0 296.414 3.132 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000004775007 368558848 /nfs/dbraw/zinc/55/88/48/368558848.db2.gz CVGPWMGXKOKNFD-CQSZACIVSA-N 1 0 255.361 3.416 50 0 CGAARO CC(C)OCCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000004290955 368541040 /nfs/dbraw/zinc/54/10/40/368541040.db2.gz FSARTJNMIHTUDY-CQSZACIVSA-N 1 0 265.397 3.118 50 0 CGAARO Cc1c(O)ccc2c(C[NH+]3CCCCCC3)cc(=O)oc12 ZINC000004340575 368543390 /nfs/dbraw/zinc/54/33/90/368543390.db2.gz URCBFENYYVMZQO-UHFFFAOYSA-N 1 0 287.359 3.183 50 0 biogenic CGAARO Cc1nc2cc(Cl)ccc2n1CC[NH+]1CCCCC1 ZINC000004385286 368544476 /nfs/dbraw/zinc/54/44/76/368544476.db2.gz DKKLUFRCNZFRKJ-UHFFFAOYSA-N 1 0 277.799 3.484 50 0 CGAARO c1cc(-c2ccccc2)oc1C[NH2+]C[C@H]1CCCO1 ZINC000004512842 368548743 /nfs/dbraw/zinc/54/87/43/368548743.db2.gz XYNZZYITZSKDFE-CQSZACIVSA-N 1 0 257.333 3.215 50 0 CGAARO COc1ccccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004525487 368549917 /nfs/dbraw/zinc/54/99/17/368549917.db2.gz IPFUXRKOKQMRLZ-OKILXGFUSA-N 1 0 290.407 3.002 50 0 CGAARO CC(C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333576 368580021 /nfs/dbraw/zinc/58/00/21/368580021.db2.gz IXUZJLFFTAIYBI-UHFFFAOYSA-N 1 0 274.408 3.058 50 0 CGAARO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000010464457 368582025 /nfs/dbraw/zinc/58/20/25/368582025.db2.gz KXTNXWJOTGSLNB-UHFFFAOYSA-N 1 0 293.798 3.088 50 0 CGAARO NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012902096 368633113 /nfs/dbraw/zinc/63/31/13/368633113.db2.gz XEIXYFTXUWFASP-UHFFFAOYSA-N 1 0 298.361 3.089 50 0 CGAARO CC[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000016604404 368717266 /nfs/dbraw/zinc/71/72/66/368717266.db2.gz MQIRGOLTOAJGHO-UHFFFAOYSA-N 1 0 282.387 3.054 50 0 CGAARO CC(C)CCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000019737904 368763116 /nfs/dbraw/zinc/76/31/16/368763116.db2.gz GFZGMVKBJPALNA-QGZVFWFLSA-N 1 0 277.408 3.380 50 0 CGAARO CCCCOc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000019737900 368763312 /nfs/dbraw/zinc/76/33/12/368763312.db2.gz BYRLNKSVOHOAFW-OAHLLOKOSA-N 1 0 263.381 3.134 50 0 CGAARO CC[NH+]1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000019745775 368763355 /nfs/dbraw/zinc/76/33/55/368763355.db2.gz LDFOFDNNDKQAFO-UHFFFAOYSA-N 1 0 290.798 3.255 50 0 CGAARO COc1cccc(CC[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000019564606 368756895 /nfs/dbraw/zinc/75/68/95/368756895.db2.gz OEFOVTSHDFSPEF-UHFFFAOYSA-N 1 0 277.314 3.306 50 0 CGAARO CC1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC000019900143 368777022 /nfs/dbraw/zinc/77/70/22/368777022.db2.gz HYCVYYYQCUZYCJ-UHFFFAOYSA-N 1 0 250.430 3.125 50 0 CGAARO Clc1cccc(Cl)c1C[NH2+]CCCn1ccnc1 ZINC000034778557 368978334 /nfs/dbraw/zinc/97/83/34/368978334.db2.gz DFFBDKPLZXZHQZ-UHFFFAOYSA-N 1 0 284.190 3.370 50 0 CGAARO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCCCCC2)c1 ZINC000032123154 368926889 /nfs/dbraw/zinc/92/68/89/368926889.db2.gz IAUFPKYMAJZIBT-INIZCTEOSA-N 1 0 277.408 3.047 50 0 CGAARO CCCC(CCC)[NH2+]C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000032500661 368932834 /nfs/dbraw/zinc/93/28/34/368932834.db2.gz KZSBJWAVUDSDFZ-HNNXBMFYSA-N 1 0 282.472 3.439 50 0 CGAARO CC[NH+](CC)CCCNC(=O)/C=C\c1ccccc1Cl ZINC000033424497 368965419 /nfs/dbraw/zinc/96/54/19/368965419.db2.gz ZNJGVNWNCQAAQZ-KHPPLWFESA-N 1 0 294.826 3.201 50 0 CGAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100354 369009086 /nfs/dbraw/zinc/00/90/86/369009086.db2.gz WPRFNUZPSUVFRY-INIZCTEOSA-N 1 0 279.424 3.314 50 0 CGAARO Cc1nc([C@@H](C)NC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140815 369066785 /nfs/dbraw/zinc/06/67/85/369066785.db2.gz WSIYSVCGLVBEAI-SNVBAGLBSA-N 1 0 279.453 3.037 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142110 369067559 /nfs/dbraw/zinc/06/75/59/369067559.db2.gz ZKSAMAMMTQJPPQ-WDEREUQCSA-N 1 0 275.318 3.237 50 0 CGAARO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC000041063720 369170480 /nfs/dbraw/zinc/17/04/80/369170480.db2.gz NBYKRQFTMDHKHR-SNVBAGLBSA-N 1 0 294.196 3.033 50 0 CGAARO CC(C)(C)c1ccc(OC2C[NH2+]C2)c(Br)c1 ZINC000042769582 369230944 /nfs/dbraw/zinc/23/09/44/369230944.db2.gz VNKHGWVEQKDQTD-UHFFFAOYSA-N 1 0 284.197 3.097 50 0 CGAARO CCCC[N@@H+]1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000048214331 369337643 /nfs/dbraw/zinc/33/76/43/369337643.db2.gz AHPNKXOAXGGJDG-HNNXBMFYSA-N 1 0 290.455 3.448 50 0 CGAARO CC1(C)[C@H]([NH2+]Cc2ccc(F)cc2)[C@H]2CCCO[C@H]21 ZINC000230267432 189808456 /nfs/dbraw/zinc/80/84/56/189808456.db2.gz ONGQGGNJMHLXFX-RBSFLKMASA-N 1 0 263.356 3.119 50 0 CGAARO c1ccc(CC[C@H]2C[N@@H+](C3CCCC3)CCO2)cc1 ZINC000055134240 369511771 /nfs/dbraw/zinc/51/17/71/369511771.db2.gz DFHQZLAGYSCOTH-KRWDZBQOSA-N 1 0 259.393 3.263 50 0 CGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055384993 369516607 /nfs/dbraw/zinc/51/66/07/369516607.db2.gz DIMXVHYHBGIYSS-MRXNPFEDSA-N 1 0 299.418 3.318 50 0 CGAARO FC(F)(F)c1nc2ccccc2n1CC1CC[NH2+]CC1 ZINC000057865495 369548911 /nfs/dbraw/zinc/54/89/11/369548911.db2.gz MZJMNANVRYKNOS-UHFFFAOYSA-N 1 0 283.297 3.055 50 0 CGAARO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 ZINC000058173332 369557299 /nfs/dbraw/zinc/55/72/99/369557299.db2.gz SYEMBWKUVGYMSS-OAHLLOKOSA-N 1 0 286.419 3.111 50 0 CGAARO CC(C)C[NH+](CC(C)C)Cn1c2c(sc1=O)CCCC2 ZINC000060349456 369585567 /nfs/dbraw/zinc/58/55/67/369585567.db2.gz PHVKXVJZMNHDMP-UHFFFAOYSA-N 1 0 296.480 3.360 50 0 CGAARO C[C@@H](c1ccc(-c2ccccc2CO)cc1)[NH+](C)C ZINC000065435091 369675322 /nfs/dbraw/zinc/67/53/22/369675322.db2.gz LAMFINZHDOBTMA-ZDUSSCGKSA-N 1 0 255.361 3.469 50 0 CGAARO COc1ccccc1/C=C/CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC000065506335 369681204 /nfs/dbraw/zinc/68/12/04/369681204.db2.gz XFIBKKIWHFZMPS-DYLHUKMJSA-N 1 0 288.435 3.123 50 0 CGAARO Fc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c2ncccc12 ZINC000065564045 369682831 /nfs/dbraw/zinc/68/28/31/369682831.db2.gz ZJJMWIRUPUQSAH-OAHLLOKOSA-N 1 0 299.393 3.044 50 0 CGAARO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069737724 369769938 /nfs/dbraw/zinc/76/99/38/369769938.db2.gz UVVCEZALBQSUGV-ZBFHGGJFSA-N 1 0 288.435 3.169 50 0 CGAARO Cc1ccc(-c2nccn2CCc2c[nH]cn2)c(C)c1F ZINC000067713544 369725471 /nfs/dbraw/zinc/72/54/71/369725471.db2.gz BTELPNFDBJLTJQ-UHFFFAOYSA-N 1 0 284.338 3.272 50 0 CGAARO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)C/C=C/c1ccco1 ZINC000067934412 369736731 /nfs/dbraw/zinc/73/67/31/369736731.db2.gz JJFHLKKLJLXXNA-IYNGYCSASA-N 1 0 259.353 3.326 50 0 CGAARO CC[C@@H](Cn1ccnc1-c1ccc(C)cc1OC)[NH+](C)C ZINC000072418234 369819459 /nfs/dbraw/zinc/81/94/59/369819459.db2.gz AYEXGMCKIBGXKW-AWEZNQCLSA-N 1 0 287.407 3.207 50 0 CGAARO Cc1cnn(CC[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000069901570 369775121 /nfs/dbraw/zinc/77/51/21/369775121.db2.gz CAYSAMINUIGHTC-UHFFFAOYSA-N 1 0 298.415 3.105 50 0 CGAARO CCc1nnc(C[N@@H+]2C[C@@H](c3ccsc3)C[C@@H]2C)o1 ZINC000075145879 369896625 /nfs/dbraw/zinc/89/66/25/369896625.db2.gz OILNIDJAEWZAIL-JQWIXIFHSA-N 1 0 277.393 3.072 50 0 CGAARO COCCOCCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000079096735 369964517 /nfs/dbraw/zinc/96/45/17/369964517.db2.gz JAZYQVPJFZAQAS-UHFFFAOYSA-N 1 0 292.354 3.229 50 0 CGAARO CC(C)[NH+](CCn1ccnc1-c1ccoc1)C(C)C ZINC000082115835 369999900 /nfs/dbraw/zinc/99/99/00/369999900.db2.gz RDRZNKWFHCODSH-UHFFFAOYSA-N 1 0 261.369 3.262 50 0 CGAARO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000084697957 370014946 /nfs/dbraw/zinc/01/49/46/370014946.db2.gz WQUSSPRNZUSILQ-AWEZNQCLSA-N 1 0 292.448 3.144 50 0 CGAARO CCc1ccc([C@H](O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000088203208 370030699 /nfs/dbraw/zinc/03/06/99/370030699.db2.gz XGXOLZMGKAHSJJ-LJQANCHMSA-N 1 0 283.415 3.457 50 0 CGAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000090004134 370054113 /nfs/dbraw/zinc/05/41/13/370054113.db2.gz PWWYTHCXXKBHQX-HNNXBMFYSA-N 1 0 287.382 3.014 50 0 CGAARO CC[C@H](COC)[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000090118320 370055507 /nfs/dbraw/zinc/05/55/07/370055507.db2.gz ZHNJWFJVSXPUJW-CHWSQXEVSA-N 1 0 275.396 3.132 50 0 CGAARO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000092708692 370099903 /nfs/dbraw/zinc/09/99/03/370099903.db2.gz GPSZXJLRENHGHT-OAHLLOKOSA-N 1 0 299.418 3.049 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1 ZINC000089904843 370051023 /nfs/dbraw/zinc/05/10/23/370051023.db2.gz TYBUYTBFPPZYOY-CQSZACIVSA-N 1 0 295.386 3.236 50 0 CGAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000094294482 370166745 /nfs/dbraw/zinc/16/67/45/370166745.db2.gz QZCWQTBBHSFFJY-CQSZACIVSA-N 1 0 286.419 3.085 50 0 CGAARO CC[N@H+](Cc1cnc2ccccn12)C1CCCCC1 ZINC000095413130 370185525 /nfs/dbraw/zinc/18/55/25/370185525.db2.gz VZQWGKBZQGMJRZ-UHFFFAOYSA-N 1 0 257.381 3.489 50 0 CGAARO OCC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccco2)cc1 ZINC000097776163 370253929 /nfs/dbraw/zinc/25/39/29/370253929.db2.gz KKAZJJUPKDBUNP-MRXNPFEDSA-N 1 0 271.360 3.293 50 0 CGAARO C[C@@H]1C[C@@H]([N@H+](C)CCC2CCCCC2)CCN1C ZINC000097212700 370233748 /nfs/dbraw/zinc/23/37/48/370233748.db2.gz IPJUXIPMIIAGAA-ZBFHGGJFSA-N 1 0 252.446 3.371 50 0 CGAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000097547875 370245486 /nfs/dbraw/zinc/24/54/86/370245486.db2.gz NXCBUGPZZDXYDN-AWEZNQCLSA-N 1 0 288.416 3.002 50 0 CGAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccsc1 ZINC000095420294 370188802 /nfs/dbraw/zinc/18/88/02/370188802.db2.gz MEGXASJFKMQNFN-ZDUSSCGKSA-N 1 0 280.437 3.019 50 0 CGAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CCSCC1 ZINC000095448588 370195009 /nfs/dbraw/zinc/19/50/09/370195009.db2.gz NQKVOFIQKOOXNZ-JQWIXIFHSA-N 1 0 271.451 3.045 50 0 CGAARO Cc1nc(C[C@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)no1 ZINC000098052714 370260474 /nfs/dbraw/zinc/26/04/74/370260474.db2.gz QFWLICKWOVASDL-VWTAQGJOSA-N 1 0 297.402 3.346 50 0 CGAARO CC(C)c1nc(C[N@H+](C)[C@@H]2CCOC(C)(C)C2)co1 ZINC000102536504 370305742 /nfs/dbraw/zinc/30/57/42/370305742.db2.gz DDFBIIWSFGBHMP-CYBMUJFWSA-N 1 0 266.385 3.187 50 0 CGAARO Cc1csc([C@H]2CCC[N@H+](CCc3ccccn3)C2)n1 ZINC000102949848 370315682 /nfs/dbraw/zinc/31/56/82/370315682.db2.gz PWNZBMIMOBSIMV-AWEZNQCLSA-N 1 0 287.432 3.269 50 0 CGAARO Cn1nccc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000130344636 371026445 /nfs/dbraw/zinc/02/64/45/371026445.db2.gz MPLYSRZPFSKRFV-MRXNPFEDSA-N 1 0 269.392 3.046 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccco2)CC1 ZINC000133513217 371257979 /nfs/dbraw/zinc/25/79/79/371257979.db2.gz QACKVNBOTHNPBW-CYBMUJFWSA-N 1 0 294.395 3.159 50 0 CGAARO c1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000426707393 372169368 /nfs/dbraw/zinc/16/93/68/372169368.db2.gz JKJCCYSWDCKDIO-UHFFFAOYSA-N 1 0 268.360 3.223 50 0 CGAARO OCC[C@H](C[NH2+]C1CC2(CCC2)C1)c1ccccc1 ZINC000448078751 373548433 /nfs/dbraw/zinc/54/84/33/373548433.db2.gz WEQCIYFGNRILMR-OAHLLOKOSA-N 1 0 259.393 3.075 50 0 CGAARO CCc1cc(Cl)ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000299755100 373610352 /nfs/dbraw/zinc/61/03/52/373610352.db2.gz BOUWFDVGOZCJDK-CYBMUJFWSA-N 1 0 295.814 3.070 50 0 CGAARO CSc1ccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000299782803 373612367 /nfs/dbraw/zinc/61/23/67/373612367.db2.gz HYORNOAMYOIPNN-CYBMUJFWSA-N 1 0 293.436 3.062 50 0 CGAARO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1=CCCCC1 ZINC000299795380 373613730 /nfs/dbraw/zinc/61/37/30/373613730.db2.gz KSQXNFMGWZSRCU-AWEZNQCLSA-N 1 0 286.419 3.367 50 0 CGAARO CC(C)(C)C(=O)CN1c2ccccc2N2CCCC[NH+]=C12 ZINC000334163471 206122522 /nfs/dbraw/zinc/12/25/22/206122522.db2.gz UCLURJFGJYUPQQ-UHFFFAOYSA-N 1 0 285.391 3.078 50 0 CGAARO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016313 541965499 /nfs/dbraw/zinc/96/54/99/541965499.db2.gz UHQBQWBQKKWCNC-CQSZACIVSA-N 1 0 267.332 3.323 50 0 CGAARO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc2ccccc2o1 ZINC000090454867 541962450 /nfs/dbraw/zinc/96/24/50/541962450.db2.gz IWTUHNQUSMHJAX-FZMZJTMJSA-N 1 0 281.359 3.364 50 0 CGAARO c1csc(-c2nnc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)o2)c1 ZINC000098018885 541996340 /nfs/dbraw/zinc/99/63/40/541996340.db2.gz DDXXLXHAEJIKGC-RYUDHWBXSA-N 1 0 289.404 3.420 50 0 CGAARO CCc1ccccc1C[NH+]1CCC(c2ccnc(N)n2)CC1 ZINC000215166740 376147182 /nfs/dbraw/zinc/14/71/82/376147182.db2.gz DZIONRUYPAVFLI-UHFFFAOYSA-N 1 0 296.418 3.001 50 0 CGAARO CCn1ccc2c1cccc2C[N@H+](C)CCc1cnn(C)c1 ZINC000215577515 376148695 /nfs/dbraw/zinc/14/86/95/376148695.db2.gz OTVWLVAFLVEHIE-UHFFFAOYSA-N 1 0 296.418 3.069 50 0 CGAARO COc1c(F)cccc1C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000215933905 376155409 /nfs/dbraw/zinc/15/54/09/376155409.db2.gz NOAPPVQGVIBPFD-CYBMUJFWSA-N 1 0 281.371 3.224 50 0 CGAARO CS[C@H](C)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000216238900 376161815 /nfs/dbraw/zinc/16/18/15/376161815.db2.gz CZVCPJUZPBVKEX-GFCCVEGCSA-N 1 0 250.411 3.188 50 0 CGAARO CS[C@@H](C)CC[N@H+](C)CCc1scnc1C ZINC000216398504 376163787 /nfs/dbraw/zinc/16/37/87/376163787.db2.gz FPWNXIZDJDGJMQ-JTQLQIEISA-N 1 0 258.456 3.067 50 0 CGAARO COC(=O)[C@]12CCC[C@@H]1C[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC000221781056 376221732 /nfs/dbraw/zinc/22/17/32/376221732.db2.gz ARRYKCXAWJBUCF-KYJSFNMBSA-N 1 0 287.403 3.065 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@@H](CO)c3ccsc3)ccc2n1 ZINC000225465785 376310809 /nfs/dbraw/zinc/31/08/09/376310809.db2.gz PTFMSHONUZNLOM-KRWDZBQOSA-N 1 0 298.411 3.428 50 0 CGAARO COCCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000225478845 376312512 /nfs/dbraw/zinc/31/25/12/376312512.db2.gz QYFDZOOEKVERHL-LLVKDONJSA-N 1 0 291.420 3.201 50 0 CGAARO Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000225548004 376317052 /nfs/dbraw/zinc/31/70/52/376317052.db2.gz KRGRTWXJMAWMNM-KBPBESRZSA-N 1 0 287.325 3.098 50 0 CGAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315928 376463128 /nfs/dbraw/zinc/46/31/28/376463128.db2.gz CYMFWTIYFNNGRB-CRAIPNDOSA-N 1 0 281.403 3.007 50 0 CGAARO CCc1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000241961275 376780548 /nfs/dbraw/zinc/78/05/48/376780548.db2.gz UQXIPTJIYIXYIV-UHFFFAOYSA-N 1 0 296.414 3.241 50 0 CGAARO CN1CCCC[C@@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC000244734414 376796235 /nfs/dbraw/zinc/79/62/35/376796235.db2.gz NFBNIMCPDAILAX-QGZVFWFLSA-N 1 0 288.435 3.056 50 0 CGAARO Cc1c2ccccc2[nH]c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000244873368 376798673 /nfs/dbraw/zinc/79/86/73/376798673.db2.gz WOYCMBREAQZECB-CQSZACIVSA-N 1 0 272.392 3.335 50 0 CGAARO C/C(=C\C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C1CC1 ZINC000254292782 377703961 /nfs/dbraw/zinc/70/39/61/377703961.db2.gz HWQJCNPTLBXAGG-VGVQOOSXSA-N 1 0 290.451 3.207 50 0 CGAARO C[NH+](C)[C@@H]1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000253370913 377687252 /nfs/dbraw/zinc/68/72/52/377687252.db2.gz XYLYTZVLICOVEU-YQVWRLOYSA-N 1 0 295.430 3.243 50 0 CGAARO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]c1)CCO2 ZINC000187544985 542245787 /nfs/dbraw/zinc/24/57/87/542245787.db2.gz LDJYFQZAWQFSQK-OAHLLOKOSA-N 1 0 272.348 3.027 50 0 CGAARO O=C1C[C@H](C[NH2+]C[C@H]2CC=CCC2)c2ccccc2N1 ZINC000095434084 184983692 /nfs/dbraw/zinc/98/36/92/184983692.db2.gz ZMPKQNWLTHTOIK-UONOGXRCSA-N 1 0 270.376 3.058 50 0 CGAARO C[C@H]1CCC[C@H]([NH+]2CCN(C3CCCC3)CC2)C1 ZINC000019900036 391937758 /nfs/dbraw/zinc/93/77/58/391937758.db2.gz YWELIDWDNSNHJQ-HOCLYGCPSA-N 1 0 250.430 3.125 50 0 CGAARO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000096414845 392251335 /nfs/dbraw/zinc/25/13/35/392251335.db2.gz LXXMJTLZPILGHJ-INIZCTEOSA-N 1 0 288.370 3.205 50 0 CGAARO Cc1cn2c(n1)CC[C@@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000097084824 392261029 /nfs/dbraw/zinc/26/10/29/392261029.db2.gz PHTQKUHGOCPZNW-ARWYELJZSA-N 1 0 299.393 3.181 50 0 CGAARO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000170597318 392612695 /nfs/dbraw/zinc/61/26/95/392612695.db2.gz YOOAZVYJKVVLHR-MRXNPFEDSA-N 1 0 298.386 3.138 50 0 CGAARO Cc1cccc([C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000091493531 135071042 /nfs/dbraw/zinc/07/10/42/135071042.db2.gz LDUVDEMRRBYURX-HNNXBMFYSA-N 1 0 282.391 3.060 50 0 CGAARO Cc1cccc2[nH]c(C[N@H+](C)CC[C@H]3CC3(F)F)nc21 ZINC000670440213 543154141 /nfs/dbraw/zinc/15/41/41/543154141.db2.gz FRLLJVWSUYMXBD-NSHDSACASA-N 1 0 279.334 3.348 50 0 CGAARO Cc1cc(C)nc(C[N@H+](C)CCOCc2ccccc2)c1 ZINC000670448964 543155960 /nfs/dbraw/zinc/15/59/60/543155960.db2.gz DVWHBAFQLNOJRK-UHFFFAOYSA-N 1 0 284.403 3.347 50 0 CGAARO Cc1nccn1CC[C@@H](C)[NH+]1CC(Oc2cccc(C)c2)C1 ZINC000670471855 543156854 /nfs/dbraw/zinc/15/68/54/543156854.db2.gz SMHHDMOJFDTKKP-OAHLLOKOSA-N 1 0 299.418 3.042 50 0 CGAARO c1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000104189344 397650101 /nfs/dbraw/zinc/65/01/01/397650101.db2.gz QIQTZQUNTCLJAN-HNNXBMFYSA-N 1 0 253.345 3.343 50 0 CGAARO Nc1[nH+]c2cccc(Cl)c2n1Cc1ccccc1 ZINC000036899113 397606780 /nfs/dbraw/zinc/60/67/80/397606780.db2.gz FRUVMMGDHIKIQE-UHFFFAOYSA-N 1 0 257.724 3.320 50 0 CGAARO C[C@@H]1CCCC[C@@]12NCC[NH+]=C2NC1CCCCCC1 ZINC000046153234 397627782 /nfs/dbraw/zinc/62/77/82/397627782.db2.gz LNHWJMWIWYDAME-RHSMWYFYSA-N 1 0 277.456 3.249 50 0 biogenic CGAARO C[C@@H]1C[N@@H+](C2Cc3ccccc3C2)Cc2ccccc2O1 ZINC000299765187 397672828 /nfs/dbraw/zinc/67/28/28/397672828.db2.gz KAGSRGRVXKGSBG-CQSZACIVSA-N 1 0 279.383 3.437 50 0 CGAARO Cc1cc(N[C@H]2CCCOC2)c2cc(F)ccc2[nH+]1 ZINC000301660038 397675341 /nfs/dbraw/zinc/67/53/41/397675341.db2.gz JCVSQBFEVDQYPA-LBPRGKRZSA-N 1 0 260.312 3.273 50 0 CGAARO OC1(C[NH2+]C2CC(c3ccccc3F)C2)CCCCC1 ZINC000078515864 165132647 /nfs/dbraw/zinc/13/26/47/165132647.db2.gz BCVAZVLTRJVKQJ-UHFFFAOYSA-N 1 0 277.383 3.357 50 0 CGAARO CCOC(=O)N1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000002498467 169796128 /nfs/dbraw/zinc/79/61/28/169796128.db2.gz XVYMQCWXUDXAHK-UHFFFAOYSA-N 1 0 282.428 3.310 50 0 CGAARO CCCCc1c(C)cc(C)cc1OC[C@H](O)C[NH2+]C(C)C ZINC000002546434 169806571 /nfs/dbraw/zinc/80/65/71/169806571.db2.gz UBKQMPYQEINAKV-MRXNPFEDSA-N 1 0 293.451 3.384 50 0 CGAARO CC[NH+](CC)CCCNCc1cccc(Br)c1 ZINC000002933151 169845338 /nfs/dbraw/zinc/84/53/38/169845338.db2.gz HVZXMOJDBRLNDC-UHFFFAOYSA-N 1 0 299.256 3.271 50 0 CGAARO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCCCCC1 ZINC000003390797 169884322 /nfs/dbraw/zinc/88/43/22/169884322.db2.gz GIEWSOBLXMRBTI-MRXNPFEDSA-N 1 0 297.826 3.094 50 0 CGAARO Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004724914 170006207 /nfs/dbraw/zinc/00/62/07/170006207.db2.gz VHHJIBFVHLXRRD-AWEZNQCLSA-N 1 0 260.381 3.056 50 0 CGAARO CCCCOc1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000004842245 170028567 /nfs/dbraw/zinc/02/85/67/170028567.db2.gz AFGGOXOPTBREJL-OAHLLOKOSA-N 1 0 293.407 3.013 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000004977930 170048337 /nfs/dbraw/zinc/04/83/37/170048337.db2.gz NYKDMPGOAZBWMG-HNNXBMFYSA-N 1 0 275.392 3.079 50 0 CGAARO COc1ccc(C[N@H+](C)C2CCCCC2)c(OC)c1OC ZINC000004987294 170049399 /nfs/dbraw/zinc/04/93/99/170049399.db2.gz DIQDZWHXIKAZPG-UHFFFAOYSA-N 1 0 293.407 3.477 50 0 CGAARO O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000004986628 170049678 /nfs/dbraw/zinc/04/96/78/170049678.db2.gz UTOJXLPIFGHWPZ-QGZVFWFLSA-N 1 0 279.383 3.215 50 0 CGAARO CC[NH+](CC)CCOCCOc1ccc(C)c(C)c1 ZINC000004989589 170049871 /nfs/dbraw/zinc/04/98/71/170049871.db2.gz BPKTZGIBBBMXBC-UHFFFAOYSA-N 1 0 265.397 3.041 50 0 CGAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000005556901 170113033 /nfs/dbraw/zinc/11/30/33/170113033.db2.gz VIHLCKGJMDFQGC-GFCCVEGCSA-N 1 0 256.349 3.225 50 0 CGAARO COc1ccc2c(c1)c(/C=C/c1cc[n+](C)cc1)cn2C ZINC000006719290 170231851 /nfs/dbraw/zinc/23/18/51/170231851.db2.gz BKRXQWHGMCMFGE-UHFFFAOYSA-N 1 0 279.363 3.182 50 0 CGAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000007142987 170268618 /nfs/dbraw/zinc/26/86/18/170268618.db2.gz CKVQWMDUDKOPKL-KBPBESRZSA-N 1 0 286.375 3.207 50 0 CGAARO Cc1ccc2c(=O)c(C[NH+]3CCCC3)c(C)[nH]c2c1C ZINC000008714064 170348517 /nfs/dbraw/zinc/34/85/17/170348517.db2.gz MWIBNEMXTPEKAQ-UHFFFAOYSA-N 1 0 270.376 3.461 50 0 CGAARO Cc1ccc(N[C@@H]2CCC[N@H+](CC(C)(C)CO)C2)cc1C ZINC000012197465 170472922 /nfs/dbraw/zinc/47/29/22/170472922.db2.gz GVNLBKRCQHJORR-QGZVFWFLSA-N 1 0 290.451 3.198 50 0 CGAARO Cc1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000014631158 170640043 /nfs/dbraw/zinc/64/00/43/170640043.db2.gz OXGJEGNYRZRFLL-NSHDSACASA-N 1 0 284.197 3.136 50 0 CGAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](CO)C(C)(C)C ZINC000020455658 171208141 /nfs/dbraw/zinc/20/81/41/171208141.db2.gz XWQVCDRJCNTOBR-BXUZGUMPSA-N 1 0 269.816 3.268 50 0 CGAARO c1cc(-c2ccccc2)oc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020477270 171221095 /nfs/dbraw/zinc/22/10/95/171221095.db2.gz OIQJHPQXGQWBHH-QGZVFWFLSA-N 1 0 282.387 3.130 50 0 CGAARO CC[NH+](CC)CCNc1ccc(-c2ccc(F)cc2)nn1 ZINC000020715806 171269825 /nfs/dbraw/zinc/26/98/25/171269825.db2.gz DOMVIASAWMWGGD-UHFFFAOYSA-N 1 0 288.370 3.036 50 0 CGAARO c1csc([C@@H]2CCCC[N@H+]2CCCc2cn[nH]c2)n1 ZINC000020998800 171284362 /nfs/dbraw/zinc/28/43/62/171284362.db2.gz NBQDPWPLQDAYJY-ZDUSSCGKSA-N 1 0 276.409 3.026 50 0 CGAARO c1cc(CN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000022454624 171388425 /nfs/dbraw/zinc/38/84/25/171388425.db2.gz YLCWFRRZMKWTFJ-UHFFFAOYSA-N 1 0 272.417 3.066 50 0 CGAARO c1coc([C@H](C[NH2+]Cc2cccs2)N2CCCC2)c1 ZINC000022933767 171404350 /nfs/dbraw/zinc/40/43/50/171404350.db2.gz KEFZJRAOQGSDAX-AWEZNQCLSA-N 1 0 276.405 3.268 50 0 CGAARO COc1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000035287218 172105375 /nfs/dbraw/zinc/10/53/75/172105375.db2.gz FBTPXWJFOGHRRQ-UHFFFAOYSA-N 1 0 295.386 3.294 50 0 CGAARO CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1N ZINC000035308484 172121675 /nfs/dbraw/zinc/12/16/75/172121675.db2.gz KGJOAYMPLLBRAQ-UHFFFAOYSA-N 1 0 258.340 3.430 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000036864524 172761815 /nfs/dbraw/zinc/76/18/15/172761815.db2.gz JNRSBWHJPLPCTC-UHFFFAOYSA-N 1 0 283.297 3.335 50 0 CGAARO CCc1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000042774379 174873149 /nfs/dbraw/zinc/87/31/49/174873149.db2.gz FAZSQECDQNFBNO-UHFFFAOYSA-N 1 0 284.197 3.142 50 0 CGAARO CCOc1ncc(C[NH2+]CCc2ccc(F)cc2)s1 ZINC000045205470 175327649 /nfs/dbraw/zinc/32/76/49/175327649.db2.gz YSIORQSWWCIDAP-UHFFFAOYSA-N 1 0 280.368 3.013 50 0 CGAARO CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(C)c2)c1 ZINC000047794353 175413601 /nfs/dbraw/zinc/41/36/01/175413601.db2.gz VNOHFLLORFWQJT-UHFFFAOYSA-N 1 0 296.414 3.425 50 0 CGAARO Cc1cc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)c2ccccc2n1 ZINC000069387475 175826326 /nfs/dbraw/zinc/82/63/26/175826326.db2.gz FEUBIUWVPWWSMC-HUUCEWRRSA-N 1 0 294.402 3.479 50 0 CGAARO Cc1nccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071419340 176160350 /nfs/dbraw/zinc/16/03/50/176160350.db2.gz OYJBKJSVHQEPOO-MRXNPFEDSA-N 1 0 297.402 3.232 50 0 CGAARO CC(C)c1nnc(C[N@H+](C)[C@H]2CCc3ccccc3C2)o1 ZINC000071907870 176296789 /nfs/dbraw/zinc/29/67/89/176296789.db2.gz BVXVAQYOWSFCLB-HNNXBMFYSA-N 1 0 285.391 3.182 50 0 CGAARO c1cncc(C2C[NH+](Cc3cccc4cnccc43)C2)c1 ZINC000072142118 176323291 /nfs/dbraw/zinc/32/32/91/176323291.db2.gz NPSATFRHRQRBCG-UHFFFAOYSA-N 1 0 275.355 3.229 50 0 CGAARO Fc1ccc(CC2CC[NH+](Cc3ccncn3)CC2)cc1 ZINC000072172477 176333182 /nfs/dbraw/zinc/33/31/82/176333182.db2.gz XZJRPOHTHXKLTN-UHFFFAOYSA-N 1 0 285.366 3.070 50 0 CGAARO c1nc2ccccn2c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000072272610 176355201 /nfs/dbraw/zinc/35/52/01/176355201.db2.gz IYLOSKBHYNMTHG-UHFFFAOYSA-N 1 0 290.370 3.148 50 0 CGAARO Cc1ccc(C[NH2+]Cc2cn3cc(C)ccc3n2)s1 ZINC000078552889 177353503 /nfs/dbraw/zinc/35/35/03/177353503.db2.gz RFABLLDWHBKKMY-UHFFFAOYSA-N 1 0 271.389 3.302 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccco2)c(Cl)c1OC ZINC000078603727 177359000 /nfs/dbraw/zinc/35/90/00/177359000.db2.gz KFXRLYAGPHUMDR-UHFFFAOYSA-N 1 0 295.766 3.283 50 0 CGAARO Cc1ccc(/C=C/c2n(C)c3ccccc3[n+]2C)cc1 ZINC000685944310 544110634 /nfs/dbraw/zinc/11/06/34/544110634.db2.gz JRWAAANEMZRWGM-OUKQBFOZSA-N 1 0 263.364 3.482 50 0 CGAARO CO[C@H](C[NH2+][C@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315986 419757452 /nfs/dbraw/zinc/75/74/52/419757452.db2.gz ONGPJCZSGROHHD-MLGOLLRUSA-N 1 0 263.381 3.248 50 0 CGAARO CC(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576934 260188643 /nfs/dbraw/zinc/18/86/43/260188643.db2.gz PLTICLYVIBJDHD-UHFFFAOYSA-N 1 0 260.150 3.334 50 0 CGAARO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(Cl)c2)C1 ZINC000193761602 270080120 /nfs/dbraw/zinc/08/01/20/270080120.db2.gz ABNDKDIVAHVEIP-ABAIWWIYSA-N 1 0 280.799 3.002 50 0 CGAARO C1=C(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000082099169 275411045 /nfs/dbraw/zinc/41/10/45/275411045.db2.gz PASYKMPXOJSWBX-INIZCTEOSA-N 1 0 279.424 3.195 50 0 CGAARO CC1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000095451564 276195069 /nfs/dbraw/zinc/19/50/69/276195069.db2.gz DZTVCYGUNJMPHA-UHFFFAOYSA-N 1 0 282.428 3.118 50 0 CGAARO C[C@@H](CNC(=O)NC1CCCCCC1)[NH+]1CCC(C)CC1 ZINC000065477830 278274527 /nfs/dbraw/zinc/27/45/27/278274527.db2.gz VMJDJERPTKFZCN-HNNXBMFYSA-N 1 0 295.471 3.129 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1nccn1C ZINC000070443605 278371755 /nfs/dbraw/zinc/37/17/55/278371755.db2.gz QGSJQPGNXAKNEZ-IUODEOHRSA-N 1 0 255.365 3.148 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@H](C)C1 ZINC000012436713 278509065 /nfs/dbraw/zinc/50/90/65/278509065.db2.gz RJXDBTDFBZRPHG-OBVSXPTNSA-N 1 0 293.451 3.452 50 0 CGAARO CC1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000038638678 278550903 /nfs/dbraw/zinc/55/09/03/278550903.db2.gz PGPDBGFJPZHVTI-CQSZACIVSA-N 1 0 252.789 3.072 50 0 CGAARO C[C@@H]1Cc2c3ccccc3[nH]c2[C@@]2(CNc3ccccc32)[NH2+]1 ZINC000000518641 279010738 /nfs/dbraw/zinc/01/07/38/279010738.db2.gz APRJFLZRSMYBET-BLVKFPJESA-N 1 0 289.382 3.371 50 0 biogenic CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000003864470 280411937 /nfs/dbraw/zinc/41/19/37/280411937.db2.gz URMJPEDTGXJUMD-KLHDSHLOSA-N 1 0 285.472 3.213 50 0 CGAARO Cc1cccc([C@@H]([NH2+]C2CCOCC2)c2ccccn2)c1 ZINC000090946719 281252452 /nfs/dbraw/zinc/25/24/52/281252452.db2.gz KHNQLYHKEAINKE-GOSISDBHSA-N 1 0 282.387 3.248 50 0 CGAARO C[C@H](Cn1ccnc1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534655974 328339938 /nfs/dbraw/zinc/33/99/38/328339938.db2.gz IYKOCAVMAPKRSC-CYBMUJFWSA-N 1 0 289.810 3.246 50 0 CGAARO c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000306790045 333009908 /nfs/dbraw/zinc/00/99/08/333009908.db2.gz UZRZIWUMJJIJRL-HDICACEKSA-N 1 0 278.399 3.255 50 0 CGAARO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573438 336056525 /nfs/dbraw/zinc/05/65/25/336056525.db2.gz QMAFHXULSZVICC-VNHYZAJKSA-N 1 0 265.372 3.022 50 0 CGAARO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000195573451 336056755 /nfs/dbraw/zinc/05/67/55/336056755.db2.gz VYFBMCMTCUSDLM-MBNYWOFBSA-N 1 0 267.800 3.146 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+]C[C@H](O)c1ccsc1 ZINC000096478107 534137816 /nfs/dbraw/zinc/13/78/16/534137816.db2.gz VMMNHPOWMGAZGR-PWSUYJOCSA-N 1 0 273.467 3.291 50 0 CGAARO CC(C)(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000096489860 526776313 /nfs/dbraw/zinc/77/63/13/526776313.db2.gz WJASFJQVGGLSRC-UHFFFAOYSA-N 1 0 294.464 3.133 50 0 CGAARO c1csc(-c2nnc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)o2)c1 ZINC000084445103 567030430 /nfs/dbraw/zinc/03/04/30/567030430.db2.gz OOYHSKJUMXOXQO-TXEJJXNPSA-N 1 0 287.388 3.196 50 0 CGAARO Cc1cccc([C@H](C)N(C)Cc2nnc3ccccn32)c1 ZINC000584907814 572840833 /nfs/dbraw/zinc/84/08/33/572840833.db2.gz ONLZICIQPILRAA-AWEZNQCLSA-N 1 0 280.375 3.231 50 0 CGAARO CC[C@@H](C(=O)NCCCc1ccccc1Cl)[N@H+](C)CC ZINC000952969971 615380904 /nfs/dbraw/zinc/38/09/04/615380904.db2.gz HMDBSOXIXSAAPD-HNNXBMFYSA-N 1 0 296.842 3.119 50 0 CGAARO COc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002494158 618168813 /nfs/dbraw/zinc/16/88/13/618168813.db2.gz FFMQPUSHAXZGPJ-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO O=C(Nc1cccc2ncccc21)C1CC[NH+](C2CC2)CC1 ZINC000195291265 619148693 /nfs/dbraw/zinc/14/86/93/619148693.db2.gz BJUAHVAWOPTFSM-UHFFFAOYSA-N 1 0 295.386 3.048 50 0 CGAARO O=C(Nc1ccc2ncccc2c1)C1CC[NH+](C2CC2)CC1 ZINC000195356438 619148928 /nfs/dbraw/zinc/14/89/28/619148928.db2.gz QJDOKRWKWUZYRO-UHFFFAOYSA-N 1 0 295.386 3.048 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)/C=C/c1ccccn1 ZINC000888098181 619259943 /nfs/dbraw/zinc/25/99/43/619259943.db2.gz CLZYTUVDQNIGJG-MLRMMBSGSA-N 1 0 259.378 3.038 50 0 CGAARO C[C@@H](C[C@H](C)SC1CCCC1)[NH2+]Cc1cc[nH]n1 ZINC000888098670 619260442 /nfs/dbraw/zinc/26/04/42/619260442.db2.gz NSECJHFPKLXPHF-RYUDHWBXSA-N 1 0 267.442 3.342 50 0 CGAARO COCc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000119569951 619283381 /nfs/dbraw/zinc/28/33/81/619283381.db2.gz OMLOPAFFKBSIDL-CYBMUJFWSA-N 1 0 299.370 3.413 50 0 CGAARO OCC[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000863983427 629722018 /nfs/dbraw/zinc/72/20/18/629722018.db2.gz HTHGNKODLXWZRK-DZOHQFGASA-N 1 0 271.404 3.097 50 0 CGAARO CCOc1ccc([C@H](CC)[NH2+]Cc2[nH]cnc2C)cc1 ZINC000952989742 636778181 /nfs/dbraw/zinc/77/81/81/636778181.db2.gz OTRMPBSHDJWWPK-HNNXBMFYSA-N 1 0 273.380 3.358 50 0 CGAARO CC(=O)N1CCC(C[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000122288523 638223054 /nfs/dbraw/zinc/22/30/54/638223054.db2.gz IKFIFVCEIFUARL-IXDOHACOSA-N 1 0 292.467 3.049 50 0 CGAARO CC(C)NC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000581787942 799674503 /nfs/dbraw/zinc/67/45/03/799674503.db2.gz KUXJTWHDTCBWEF-MRXNPFEDSA-N 1 0 295.471 3.081 50 0 CGAARO Cc1cnc(C2C[NH+](Cc3ccccc3)C2)n1CC1CC1 ZINC000581812945 799675068 /nfs/dbraw/zinc/67/50/68/799675068.db2.gz YBXKEIDEYQIZFP-UHFFFAOYSA-N 1 0 281.403 3.201 50 0 CGAARO C[C@H]([NH2+]C/C=C/c1ccccn1)[C@@H](c1ccccc1)N(C)C ZINC000585117741 799677822 /nfs/dbraw/zinc/67/78/22/799677822.db2.gz VKOHGPOPNOWCOS-IVFZLJIJSA-N 1 0 295.430 3.376 50 0 CGAARO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)o1 ZINC000585125908 799678095 /nfs/dbraw/zinc/67/80/95/799678095.db2.gz ILDVMSRYRUULKX-NEPJUHHUSA-N 1 0 298.814 3.268 50 0 CGAARO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](n3cc(C4CC4)nn3)C2)c1 ZINC000585133290 799678832 /nfs/dbraw/zinc/67/88/32/799678832.db2.gz DQBDYWBERBUCTL-WMLDXEAASA-N 1 0 296.418 3.472 50 0 CGAARO CN(C/C=C/c1ccccc1)C[C@@H]1CCCC[N@@H+]1C ZINC000952863013 800684512 /nfs/dbraw/zinc/68/45/12/800684512.db2.gz UEMHYXPOHQCXSX-YRYLYKBFSA-N 1 0 258.409 3.116 50 0 CGAARO CCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000952861768 800685225 /nfs/dbraw/zinc/68/52/25/800685225.db2.gz KDLXITGAWYMQOY-ZDUSSCGKSA-N 1 0 296.798 3.209 50 0 CGAARO CCCCc1ccc(CN[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000952873405 800685993 /nfs/dbraw/zinc/68/59/93/800685993.db2.gz WOCYYDGOMTVTBV-GFCCVEGCSA-N 1 0 272.396 3.307 50 0 CGAARO Cc1cccc2ncn(C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c12 ZINC000032540620 927575791 /nfs/dbraw/zinc/57/57/91/927575791.db2.gz KQGUDTUPAAUZSK-UHFFFAOYSA-N 1 0 299.418 3.187 50 0 CGAARO CCCO[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000032511836 928046176 /nfs/dbraw/zinc/04/61/76/928046176.db2.gz HHRYZGDJBZTVIL-KRWDZBQOSA-N 1 0 259.393 3.045 50 0 CGAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000409421061 932026244 /nfs/dbraw/zinc/02/62/44/932026244.db2.gz AHNURDWYCCHCGH-OAHLLOKOSA-N 1 0 289.423 3.244 50 0 CGAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001506409918 937989975 /nfs/dbraw/zinc/98/99/75/937989975.db2.gz AUOAUOGHJHIAET-CYBMUJFWSA-N 1 0 281.762 3.244 50 0 CGAARO FC(F)(F)c1csc(CC[NH2+]C(C2CC2)C2CC2)n1 ZINC000096478848 230379927 /nfs/dbraw/zinc/37/99/27/230379927.db2.gz FHIZJKAHRFPZQN-UHFFFAOYSA-N 1 0 290.354 3.483 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000096486382 230381668 /nfs/dbraw/zinc/38/16/68/230381668.db2.gz VODFCTBRBOVMEJ-MGPLVRAMSA-N 1 0 292.354 3.032 50 0 CGAARO O=C(Cc1cccs1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004062004 230368016 /nfs/dbraw/zinc/36/80/16/230368016.db2.gz KEWXUCFCBRVLST-DZGCQCFKSA-N 1 0 293.432 3.098 50 0 biogenic CGAARO c1cnn(Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000223076340 230399025 /nfs/dbraw/zinc/39/90/25/230399025.db2.gz LFZLXOJUJNMWSR-UHFFFAOYSA-N 1 0 269.392 3.307 50 0 CGAARO CCN(C(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000095956300 185043036 /nfs/dbraw/zinc/04/30/36/185043036.db2.gz KTYGVNYCGCHVMC-INIZCTEOSA-N 1 0 286.350 3.269 50 0 CGAARO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCOCC1 ZINC000095967356 185046474 /nfs/dbraw/zinc/04/64/74/185046474.db2.gz RZHXVRZFEXCIMI-LLVKDONJSA-N 1 0 298.224 3.149 50 0 CGAARO Cc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967530 185046974 /nfs/dbraw/zinc/04/69/74/185046974.db2.gz ZIPLSLTWDCFCKV-JQWIXIFHSA-N 1 0 290.329 3.184 50 0 CGAARO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000095969006 185047353 /nfs/dbraw/zinc/04/73/53/185047353.db2.gz PFVNGQUHKHSHBC-DZGCQCFKSA-N 1 0 290.432 3.360 50 0 CGAARO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000095975532 185050783 /nfs/dbraw/zinc/05/07/83/185050783.db2.gz DDTLBJOMCAUTPK-SGTLLEGYSA-N 1 0 287.856 3.204 50 0 CGAARO Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095978206 185052242 /nfs/dbraw/zinc/05/22/42/185052242.db2.gz OMLSGFXBIOKDMZ-YVEFUNNKSA-N 1 0 288.366 3.131 50 0 CGAARO c1csc([C@H]2CCC[N@H+]2CCCn2ccnc2)c1 ZINC000095987163 185056610 /nfs/dbraw/zinc/05/66/10/185056610.db2.gz PWEXFJIRCZXTJQ-CYBMUJFWSA-N 1 0 261.394 3.172 50 0 CGAARO Nc1[nH+]c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000124929744 187161985 /nfs/dbraw/zinc/16/19/85/187161985.db2.gz XRWYYFRAQIXZJP-UHFFFAOYSA-N 1 0 257.724 3.320 50 0 CGAARO CC(=O)NCc1cccc(-c2ccccc2C[NH+](C)C)c1 ZINC000096130345 185103932 /nfs/dbraw/zinc/10/39/32/185103932.db2.gz ZRDDONNWRNOLDW-UHFFFAOYSA-N 1 0 282.387 3.051 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)CC1CCCCC1)c1ccsc1 ZINC000025328999 282170687 /nfs/dbraw/zinc/17/06/87/282170687.db2.gz LOPRKGBAGJVTEU-HNNXBMFYSA-N 1 0 294.464 3.437 50 0 CGAARO C[N@H+](C1CCN(CCc2ccccn2)CC1)[C@@H]1C=CCCC1 ZINC000096455911 529822296 /nfs/dbraw/zinc/82/22/96/529822296.db2.gz FZQXFSXIWOBPNL-GOSISDBHSA-N 1 0 299.462 3.129 50 0 CGAARO CC(=O)O[C@@H]1C[C@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000005378770 344860943 /nfs/dbraw/zinc/86/09/43/344860943.db2.gz CNNCIVWTZOLSDH-QWHCGFSZSA-N 1 0 255.402 3.085 50 0 CGAARO CC[NH+](CC)CCOCCOc1ccc(Cl)cc1 ZINC000004989590 344860344 /nfs/dbraw/zinc/86/03/44/344860344.db2.gz XBNWFHPIFZKBKZ-UHFFFAOYSA-N 1 0 271.788 3.077 50 0 CGAARO Oc1cccc(C[NH2+]CC2(c3ccccc3)CC2)c1 ZINC000075756892 345521249 /nfs/dbraw/zinc/52/12/49/345521249.db2.gz BIRPGHFGOFEZHI-UHFFFAOYSA-N 1 0 253.345 3.214 50 0 CGAARO Cc1cccc2[nH]c(C[NH2+][C@H](C)CC(F)(F)F)nc21 ZINC000090947626 345797921 /nfs/dbraw/zinc/79/79/21/345797921.db2.gz CJUNPEZORMLPJK-SECBINFHSA-N 1 0 271.286 3.302 50 0 CGAARO Cc1cc(C)cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000095956256 345900965 /nfs/dbraw/zinc/90/09/65/345900965.db2.gz TUDGRQHMPDWOQJ-INIZCTEOSA-N 1 0 282.387 3.159 50 0 CGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000097227984 345908082 /nfs/dbraw/zinc/90/80/82/345908082.db2.gz AOOXYNSCVMJKET-DOMZBBRYSA-N 1 0 294.826 3.248 50 0 CGAARO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)nc1 ZINC000097378278 345908643 /nfs/dbraw/zinc/90/86/43/345908643.db2.gz QHFGHGFRAIMTRQ-MRXNPFEDSA-N 1 0 290.794 3.041 50 0 CGAARO c1coc([C@H]2CCC[N@H+]2CCOc2ccccc2)c1 ZINC000116295847 345976933 /nfs/dbraw/zinc/97/69/33/345976933.db2.gz IXUNQNHMPCXQMC-OAHLLOKOSA-N 1 0 257.333 3.496 50 0 CGAARO c1ccc(C[N@@H+]2CC[C@@H]3Nc4ccccc4[C@@H]3C2)cc1 ZINC000137857432 346095614 /nfs/dbraw/zinc/09/56/14/346095614.db2.gz DAFWBWMYCWYNEC-WMZOPIPTSA-N 1 0 264.372 3.470 50 0 CGAARO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)O1 ZINC000170608548 346195065 /nfs/dbraw/zinc/19/50/65/346195065.db2.gz MGYBJHYLNKBLJD-ZTFGCOKTSA-N 1 0 288.435 3.457 50 0 CGAARO COC[C@@](C)([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000190001417 346263799 /nfs/dbraw/zinc/26/37/99/346263799.db2.gz DFCPPABJFHXPID-QGZVFWFLSA-N 1 0 270.376 3.041 50 0 CGAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000195575813 346274699 /nfs/dbraw/zinc/27/46/99/346274699.db2.gz DNNCXPVYZFDTGG-WBVHZDCISA-N 1 0 292.467 3.215 50 0 CGAARO Cc1ccc2cc(C[N@H+]3C[C@@H](CO)CC[C@H]3C)ccc2n1 ZINC000225477989 346304866 /nfs/dbraw/zinc/30/48/66/346304866.db2.gz LZWOLBONRBOICD-ZBFHGGJFSA-N 1 0 284.403 3.136 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000217907194 346291900 /nfs/dbraw/zinc/29/19/00/346291900.db2.gz DXORHDLHFIBRBN-KBPBESRZSA-N 1 0 282.428 3.355 50 0 CGAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@H]2CCO[C@@H]21 ZINC000085630165 179108058 /nfs/dbraw/zinc/10/80/58/179108058.db2.gz UKYIHJVSFQCJAC-OIISXLGYSA-N 1 0 284.403 3.114 50 0 CGAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000584893104 346722041 /nfs/dbraw/zinc/72/20/41/346722041.db2.gz PGHQOQPZQCCYKD-KRWDZBQOSA-N 1 0 298.430 3.081 50 0 CGAARO C[C@H]([NH3+])c1ccc(Cl)cc1OCC(F)(F)F ZINC000601014822 347852786 /nfs/dbraw/zinc/85/27/86/347852786.db2.gz VVELNZAEXQZRIA-LURJTMIESA-N 1 0 253.651 3.301 50 0 CGAARO Cc1sccc1C[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000339401114 215148294 /nfs/dbraw/zinc/14/82/94/215148294.db2.gz VAZUDCMCAKLQBR-INIZCTEOSA-N 1 0 275.417 3.096 50 0 CGAARO C[C@@H](CCc1ccc(F)c(F)c1)[NH2+]C1CCOCC1 ZINC000089671384 179845627 /nfs/dbraw/zinc/84/56/27/179845627.db2.gz WWPBAIOBIANZON-NSHDSACASA-N 1 0 269.335 3.055 50 0 CGAARO c1ccc(CO[C@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)cc1 ZINC000090602995 180011214 /nfs/dbraw/zinc/01/12/14/180011214.db2.gz KFMLOWQHEPPZAR-ROUUACIJSA-N 1 0 289.419 3.283 50 0 CGAARO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc([S@@](C)=O)cc1 ZINC000090853201 180046151 /nfs/dbraw/zinc/04/61/51/180046151.db2.gz LYZZQEJEGVSHQL-PZROIBLQSA-N 1 0 265.422 3.263 50 0 CGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2ccoc2)C1 ZINC000091526278 180179176 /nfs/dbraw/zinc/17/91/76/180179176.db2.gz PEDYRKAFWPJTFY-INIZCTEOSA-N 1 0 263.381 3.210 50 0 CGAARO CCOC1CC[NH+](Cc2cc3cc(OC)ccc3o2)CC1 ZINC000091679857 180226157 /nfs/dbraw/zinc/22/61/57/180226157.db2.gz UZOXOJBQEBFYHI-UHFFFAOYSA-N 1 0 289.375 3.442 50 0 CGAARO C[C@H]1Cc2c3ccccc3[nH]c2[C@]2(CNc3ccccc32)[NH2+]1 ZINC000000518638 291161526 /nfs/dbraw/zinc/16/15/26/291161526.db2.gz APRJFLZRSMYBET-HXPMCKFVSA-N 1 0 289.382 3.371 50 0 biogenic CGAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1c(C)noc1C ZINC000190043967 189553145 /nfs/dbraw/zinc/55/31/45/189553145.db2.gz UNSVCDYBOCCCOE-KBPBESRZSA-N 1 0 268.426 3.445 50 0 CGAARO C[NH+](C)CCNc1cc(-c2cccnc2)nc2ccccc21 ZINC000000218019 368319358 /nfs/dbraw/zinc/31/93/58/368319358.db2.gz ICNKLVARUWKVTN-UHFFFAOYSA-N 1 0 292.386 3.270 50 0 CGAARO Cc1ccccc1OCCn1c(N)[nH+]c2ccccc21 ZINC000000233359 368320386 /nfs/dbraw/zinc/32/03/86/368320386.db2.gz KNJVRECTLRSXQN-UHFFFAOYSA-N 1 0 267.332 3.006 50 0 CGAARO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000000086089 368285697 /nfs/dbraw/zinc/28/56/97/368285697.db2.gz ASYCIZHUIHSFIU-UHFFFAOYSA-N 1 0 297.398 3.179 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000000182883 368310805 /nfs/dbraw/zinc/31/08/05/368310805.db2.gz XQVGEFBUWFDHKZ-SWLSCSKDSA-N 1 0 263.381 3.372 50 0 CGAARO [NH3+]CC[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287387 368333400 /nfs/dbraw/zinc/33/34/00/368333400.db2.gz VOIZDQSLTVNUIJ-OAHLLOKOSA-N 1 0 269.344 3.090 50 0 biogenic CGAARO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000000292200 368334826 /nfs/dbraw/zinc/33/48/26/368334826.db2.gz LHIOVTQBOAXWOT-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO CC1(C)C[NH+]=C(NCc2ccccc2Cl)S1 ZINC000000529071 368383448 /nfs/dbraw/zinc/38/34/48/368383448.db2.gz KVHCSYLFCIVZLQ-UHFFFAOYSA-N 1 0 254.786 3.311 50 0 CGAARO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000001995433 368443213 /nfs/dbraw/zinc/44/32/13/368443213.db2.gz XDMDDWLZIDCNEQ-CQSZACIVSA-N 1 0 260.381 3.116 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000002734479 368473962 /nfs/dbraw/zinc/47/39/62/368473962.db2.gz YOKWTXMBGXEVRX-HOTGVXAUSA-N 1 0 287.451 3.024 50 0 CGAARO Cc1cccc(OCCn2c(N)[nH+]c3ccccc32)c1 ZINC000002573675 368466406 /nfs/dbraw/zinc/46/64/06/368466406.db2.gz WSEGUZYVVVHEMF-UHFFFAOYSA-N 1 0 267.332 3.006 50 0 CGAARO OCC[NH2+]CCCCCOc1ccc(Cl)cc1Cl ZINC000002900051 368486073 /nfs/dbraw/zinc/48/60/73/368486073.db2.gz OIGIMRVRGOHJML-UHFFFAOYSA-N 1 0 292.206 3.124 50 0 CGAARO O=C(Nc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004006936 368525554 /nfs/dbraw/zinc/52/55/54/368525554.db2.gz OVSLXLJKOJXULE-GOEBONIOSA-N 1 0 288.391 3.500 50 0 biogenic CGAARO COc1ccccc1[C@H](C[NH3+])c1c[nH]c2ccccc21 ZINC000003881901 368521767 /nfs/dbraw/zinc/52/17/67/368521767.db2.gz WNFPDZUJNUFUCL-AWEZNQCLSA-N 1 0 266.344 3.267 50 0 biogenic CGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000004305155 368542338 /nfs/dbraw/zinc/54/23/38/368542338.db2.gz RYQYCTJYFBUKCM-QGZVFWFLSA-N 1 0 291.435 3.083 50 0 CGAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](C)C1 ZINC000011817327 368596830 /nfs/dbraw/zinc/59/68/30/368596830.db2.gz KRKADJQTSGWDFN-DBEXCURXSA-N 1 0 287.403 3.365 50 0 CGAARO CCOc1ccc(C[NH2+]C(C)C)cc1Br ZINC000010436450 368582464 /nfs/dbraw/zinc/58/24/64/368582464.db2.gz KYSNVOFWBYSWRM-UHFFFAOYSA-N 1 0 272.186 3.346 50 0 CGAARO CCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C)c1 ZINC000011838936 368597392 /nfs/dbraw/zinc/59/73/92/368597392.db2.gz QVUQBYSPWCMOQG-KRWDZBQOSA-N 1 0 288.435 3.266 50 0 CGAARO CC[N+](CC)=c1scc(-c2ccccc2)s1 ZINC000013739430 368665361 /nfs/dbraw/zinc/66/53/61/368665361.db2.gz YVCOSGXKTLWLJS-UHFFFAOYSA-N 1 0 250.412 3.289 50 0 CGAARO CCc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000013323259 368649349 /nfs/dbraw/zinc/64/93/49/368649349.db2.gz DCBGBMDESDNQPJ-UHFFFAOYSA-N 1 0 274.408 3.452 50 0 CGAARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000016477455 368713643 /nfs/dbraw/zinc/71/36/43/368713643.db2.gz BTAHORQFAGKZDL-OAHLLOKOSA-N 1 0 261.752 3.163 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000016662704 368720100 /nfs/dbraw/zinc/72/01/00/368720100.db2.gz QQVYWRUBHMVGND-OAHLLOKOSA-N 1 0 261.365 3.238 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000014137370 368675161 /nfs/dbraw/zinc/67/51/61/368675161.db2.gz VQFCYSCCUIVSEP-UHFFFAOYSA-N 1 0 272.323 3.074 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000017135691 368728951 /nfs/dbraw/zinc/72/89/51/368728951.db2.gz OUCWOOHGPMSVMN-CKEIUWERSA-N 1 0 291.435 3.021 50 0 CGAARO CCC(C)(C)[NH2+]Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000018940148 368742664 /nfs/dbraw/zinc/74/26/64/368742664.db2.gz ADYNWAFAPILFOJ-UHFFFAOYSA-N 1 0 275.348 3.085 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]CCOc2cccc(C)c2)cc1 ZINC000017315838 368730577 /nfs/dbraw/zinc/73/05/77/368730577.db2.gz JSDHDGCFNZFJCG-UHFFFAOYSA-N 1 0 298.386 3.122 50 0 CGAARO CCN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019636418 368759001 /nfs/dbraw/zinc/75/90/01/368759001.db2.gz XMDMJJCQBSHFMK-UHFFFAOYSA-N 1 0 272.436 3.350 50 0 CGAARO C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000019606743 368759011 /nfs/dbraw/zinc/75/90/11/368759011.db2.gz OLKWDDWGFDGSJI-ZIAGYGMSSA-N 1 0 255.361 3.449 50 0 CGAARO CC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000019737913 368763333 /nfs/dbraw/zinc/76/33/33/368763333.db2.gz BFQINCRRDWDXIZ-CZUORRHYSA-N 1 0 263.381 3.133 50 0 CGAARO Fc1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019880275 368775846 /nfs/dbraw/zinc/77/58/46/368775846.db2.gz ASHSTEJRNUUTIG-INIZCTEOSA-N 1 0 288.410 3.300 50 0 CGAARO [NH3+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000019841510 368771260 /nfs/dbraw/zinc/77/12/60/368771260.db2.gz ACOUQABLVLKBMO-OAHLLOKOSA-N 1 0 275.735 3.159 50 0 CGAARO c1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)nc1 ZINC000019271882 368746979 /nfs/dbraw/zinc/74/69/79/368746979.db2.gz DUVZWTCLNRFRPO-UHFFFAOYSA-N 1 0 266.344 3.037 50 0 CGAARO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000023991522 368826741 /nfs/dbraw/zinc/82/67/41/368826741.db2.gz RELAAWXYYQCVPO-HZSPNIEDSA-N 1 0 290.407 3.000 50 0 CGAARO C[NH+](C)[C@@H](CNc1nc2ccccc2o1)Cc1ccccc1 ZINC000024985886 368838765 /nfs/dbraw/zinc/83/87/65/368838765.db2.gz WEOMNYBSEZILGT-OAHLLOKOSA-N 1 0 295.386 3.413 50 0 CGAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019907393 368780681 /nfs/dbraw/zinc/78/06/81/368780681.db2.gz QMNAHIQXXGDXJC-UHFFFAOYSA-N 1 0 288.435 3.123 50 0 CGAARO O[C@]1(c2ccccc2)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000019923792 368786537 /nfs/dbraw/zinc/78/65/37/368786537.db2.gz GETWLPVVXVVUEZ-MSOLQXFVSA-N 1 0 267.372 3.217 50 0 CGAARO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000028288187 368885268 /nfs/dbraw/zinc/88/52/68/368885268.db2.gz JBRKNFZGCLSHLH-INIZCTEOSA-N 1 0 298.386 3.155 50 0 CGAARO CSc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000030908615 368909663 /nfs/dbraw/zinc/90/96/63/368909663.db2.gz APVRTTNQJKBERC-HNNXBMFYSA-N 1 0 287.432 3.309 50 0 CGAARO CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000025665838 368850406 /nfs/dbraw/zinc/85/04/06/368850406.db2.gz VSODYXSTXPSSIK-AATRIKPKSA-N 1 0 270.352 3.182 50 0 CGAARO C[NH2+]CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000036379611 369018273 /nfs/dbraw/zinc/01/82/73/369018273.db2.gz ZXGMDODTOUJCHJ-UHFFFAOYSA-N 1 0 261.344 3.148 50 0 CGAARO O[C@H](C[NH2+]Cc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000037863652 369121401 /nfs/dbraw/zinc/12/14/01/369121401.db2.gz ZZCVMVFFJKEHJD-OAHLLOKOSA-N 1 0 297.732 3.441 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000037989163 369134647 /nfs/dbraw/zinc/13/46/47/369134647.db2.gz IVZLTKBBDNQGFM-UHFFFAOYSA-N 1 0 269.270 3.027 50 0 CGAARO CC(C)=CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000039987695 369151944 /nfs/dbraw/zinc/15/19/44/369151944.db2.gz ZFGLORZLFZNHEZ-UHFFFAOYSA-N 1 0 264.800 3.428 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000038011110 369139396 /nfs/dbraw/zinc/13/93/96/369139396.db2.gz OFDNFOILFBFJBH-VIFPVBQESA-N 1 0 294.196 3.331 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000038011508 369140364 /nfs/dbraw/zinc/14/03/64/369140364.db2.gz DLRDJXYHEAPEQS-CYBMUJFWSA-N 1 0 277.368 3.184 50 0 CGAARO CC(C)[C@@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000041111699 369173865 /nfs/dbraw/zinc/17/38/65/369173865.db2.gz BCPVYWKOQNOPGM-MRXNPFEDSA-N 1 0 290.451 3.273 50 0 CGAARO c1ccc2c(c1)nc(Nc1cc[nH+]cc1)nc2NC1CC1 ZINC000041149696 369177315 /nfs/dbraw/zinc/17/73/15/369177315.db2.gz PVXBJCHAOHPBAP-UHFFFAOYSA-N 1 0 277.331 3.343 50 0 CGAARO CCc1cc(Cl)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775231 369232313 /nfs/dbraw/zinc/23/23/13/369232313.db2.gz CQDADBJHJYRDLV-NSHDSACASA-N 1 0 253.773 3.281 50 0 CGAARO CCc1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774371 369232319 /nfs/dbraw/zinc/23/23/19/369232319.db2.gz LHOLFSMTRJVQKW-GFCCVEGCSA-N 1 0 284.197 3.142 50 0 CGAARO c1ccc(COc2ccc(OC[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773047 369231138 /nfs/dbraw/zinc/23/11/38/369231138.db2.gz XMFIYYINTKEFJE-INIZCTEOSA-N 1 0 283.371 3.254 50 0 CGAARO c1ccc(-c2ccc(OC[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773091 369231277 /nfs/dbraw/zinc/23/12/77/369231277.db2.gz MJHMSXXPMCQNAH-CQSZACIVSA-N 1 0 253.345 3.342 50 0 CGAARO FC(F)(F)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772429 369231400 /nfs/dbraw/zinc/23/14/00/369231400.db2.gz FSSHKVUDCGNFFO-NSHDSACASA-N 1 0 273.298 3.474 50 0 CGAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(F)cc1Cl ZINC000048363393 369344188 /nfs/dbraw/zinc/34/41/88/369344188.db2.gz ZKRFDLAVMZETKT-UHFFFAOYSA-N 1 0 298.789 3.085 50 0 CGAARO C[C@H]([NH2+]CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000052176313 369465489 /nfs/dbraw/zinc/46/54/89/369465489.db2.gz FBYSFRQJIFJGJS-JTQLQIEISA-N 1 0 255.308 3.042 50 0 CGAARO C[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057331554 369534961 /nfs/dbraw/zinc/53/49/61/369534961.db2.gz NPARPGCNYFOZMX-UHFFFAOYSA-N 1 0 295.338 3.131 50 0 CGAARO C[C@H](CNC(=O)c1cc2ccccc2o1)[NH+]1CCCCC1 ZINC000055932616 369523196 /nfs/dbraw/zinc/52/31/96/369523196.db2.gz RFEYABKOWIHEJT-CYBMUJFWSA-N 1 0 286.375 3.037 50 0 CGAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000058162383 369556969 /nfs/dbraw/zinc/55/69/69/369556969.db2.gz HXIQLQTWGVAYKY-AWEZNQCLSA-N 1 0 297.402 3.042 50 0 CGAARO O=C(c1cccc2ccccc21)N1CCC[N@@H+](C2CC2)CC1 ZINC000058282526 369561639 /nfs/dbraw/zinc/56/16/39/369561639.db2.gz CGPGTHDXMKZPLB-UHFFFAOYSA-N 1 0 294.398 3.150 50 0 CGAARO Fc1ccc(N2CCC[N@@H+](C3CCSCC3)CC2)cc1 ZINC000065385732 369671358 /nfs/dbraw/zinc/67/13/58/369671358.db2.gz KTBDHBGKPRWKBW-UHFFFAOYSA-N 1 0 294.439 3.233 50 0 CGAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc3ccccc32)C1 ZINC000067642875 369722414 /nfs/dbraw/zinc/72/24/14/369722414.db2.gz VRUZTOUNLBPCBF-HNNXBMFYSA-N 1 0 296.414 3.302 50 0 CGAARO Cc1nc(C)c(-c2nccn2CC[C@@H]2CCC[N@H+]2C)s1 ZINC000067446781 369717960 /nfs/dbraw/zinc/71/79/60/369717960.db2.gz AHKAWPJAJPEVFM-ZDUSSCGKSA-N 1 0 290.436 3.108 50 0 CGAARO Cc1ccc(Oc2cccc(C[NH+]3CCCC3)c2F)nn1 ZINC000067541759 369720257 /nfs/dbraw/zinc/72/02/57/369720257.db2.gz KJJYHZMBJUTGAC-UHFFFAOYSA-N 1 0 287.338 3.312 50 0 CGAARO Cn1cc(C[N@H+](C/C=C/c2ccccc2)C2CC2)cn1 ZINC000065397612 369672164 /nfs/dbraw/zinc/67/21/64/369672164.db2.gz NYHDLMUIIIUDLP-VMPITWQZSA-N 1 0 267.376 3.098 50 0 CGAARO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)C1Cc2ccccc2C1 ZINC000065462645 369677547 /nfs/dbraw/zinc/67/75/47/369677547.db2.gz WLAFXDDTWBPCAW-UHFFFAOYSA-N 1 0 283.419 3.306 50 0 CGAARO Cc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)o1 ZINC000067587648 369720973 /nfs/dbraw/zinc/72/09/73/369720973.db2.gz YNNAVNZGGUBLPN-UHFFFAOYSA-N 1 0 281.359 3.406 50 0 CGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCc2cccs2)c1 ZINC000069489738 369761968 /nfs/dbraw/zinc/76/19/68/369761968.db2.gz QTYWDUQCLQFVFD-STQMWFEESA-N 1 0 263.410 3.035 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000069704318 369767761 /nfs/dbraw/zinc/76/77/61/369767761.db2.gz WAPCJYMQXUBYGV-OLZOCXBDSA-N 1 0 261.344 3.070 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ncc[nH]1 ZINC000067668282 369723894 /nfs/dbraw/zinc/72/38/94/369723894.db2.gz WWPUNSOFTJRDMA-OAHLLOKOSA-N 1 0 298.434 3.074 50 0 CGAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3cnc4ccccc4c3)c2O1 ZINC000067678129 369723972 /nfs/dbraw/zinc/72/39/72/369723972.db2.gz LWNMFLXZULQSHT-OAHLLOKOSA-N 1 0 294.329 3.303 50 0 CGAARO C[C@H](Cc1cccc(F)c1)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000067783799 369728893 /nfs/dbraw/zinc/72/88/93/369728893.db2.gz SLUBUZUZIBFZAA-CYBMUJFWSA-N 1 0 297.377 3.465 50 0 CGAARO c1cn(CC[N@@H+]2CC[C@H](c3ccccc3)C2)c(C2CC2)n1 ZINC000071762153 369808100 /nfs/dbraw/zinc/80/81/00/369808100.db2.gz 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281.469 3.053 50 0 CGAARO CC(C)(CCO)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000164703088 372529066 /nfs/dbraw/zinc/52/90/66/372529066.db2.gz AFSSRTCQHBFMPN-UHFFFAOYSA-N 1 0 279.277 3.095 50 0 CGAARO C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000299746836 373609896 /nfs/dbraw/zinc/60/98/96/373609896.db2.gz BHLYPVZVQTWHDJ-LBPRGKRZSA-N 1 0 298.361 3.044 50 0 CGAARO Cc1ccn(CC[N@@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000299784578 373612405 /nfs/dbraw/zinc/61/24/05/373612405.db2.gz MLAUHXMNJODCSN-INIZCTEOSA-N 1 0 255.365 3.029 50 0 CGAARO Fc1cccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)c1 ZINC000084610097 541934293 /nfs/dbraw/zinc/93/42/93/541934293.db2.gz XQKBZBMCFZYOMG-KRWDZBQOSA-N 1 0 286.350 3.012 50 0 CGAARO CC(=O)N1CCC(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000334233637 206231072 /nfs/dbraw/zinc/23/10/72/206231072.db2.gz YGGHJBQEQBMWEB-QGZVFWFLSA-N 1 0 292.467 3.338 50 0 CGAARO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc2ccccc2s1 ZINC000188106305 375158334 /nfs/dbraw/zinc/15/83/34/375158334.db2.gz 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C[N@H+](CCO[C@@H]1CCCCO1)Cc1cccc2[nH]ccc21 ZINC000408514849 380014907 /nfs/dbraw/zinc/01/49/07/380014907.db2.gz JVMWOLQCHIVVHH-QGZVFWFLSA-N 1 0 288.391 3.143 50 0 CGAARO C[N@H+](CCn1nc(C2CC2)nc1C1CC1)Cc1ccccc1 ZINC000408521625 380015957 /nfs/dbraw/zinc/01/59/57/380015957.db2.gz AHCFSSGRWYWFCD-UHFFFAOYSA-N 1 0 296.418 3.165 50 0 CGAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000409421128 380030760 /nfs/dbraw/zinc/03/07/60/380030760.db2.gz MBRXNVJWPNJRRP-MRXNPFEDSA-N 1 0 289.423 3.244 50 0 CGAARO O=c1c(C[NH+]2CCCCC2)coc2ccc(Cl)cc21 ZINC000023281762 285205209 /nfs/dbraw/zinc/20/52/09/285205209.db2.gz RQKTVSOYEDMLJJ-UHFFFAOYSA-N 1 0 277.751 3.432 50 0 CGAARO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CO)c2ccsc2S1 ZINC000300410065 542412223 /nfs/dbraw/zinc/41/22/23/542412223.db2.gz DLNQRWWFBOLPLX-UKJIMTQDSA-N 1 0 283.462 3.424 50 0 CGAARO C(=C\c1ccccc1)\CN1CCC([NH+]2CCCC2)CC1 ZINC000096179345 256774973 /nfs/dbraw/zinc/77/49/73/256774973.db2.gz CGCSKQDXZWMWNG-TWGQIWQCSA-N 1 0 270.420 3.260 50 0 CGAARO c1ccc(-c2nnc(SC3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000095908607 256881620 /nfs/dbraw/zinc/88/16/20/256881620.db2.gz MHBWAKVGGPZQQZ-FUNVUKJBSA-N 1 0 287.388 3.112 50 0 CGAARO Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000094568669 184820034 /nfs/dbraw/zinc/82/00/34/184820034.db2.gz SHXXGPZWIKOXGE-OAHLLOKOSA-N 1 0 284.359 3.024 50 0 CGAARO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCCC2(C)C)c1 ZINC000095423186 184977625 /nfs/dbraw/zinc/97/76/25/184977625.db2.gz RNLIQYKSXKSMAI-INIZCTEOSA-N 1 0 288.435 3.099 50 0 CGAARO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccccc1F ZINC000095422970 184977948 /nfs/dbraw/zinc/97/79/48/184977948.db2.gz KFDMVZLPCHZXTA-IAQYHMDHSA-N 1 0 279.380 3.446 50 0 CGAARO Fc1ccc([C@H](c2ccccc2)N2CCC[NH2+]CC2)cc1 ZINC000022099115 391944368 /nfs/dbraw/zinc/94/43/68/391944368.db2.gz JVPHNNVCUIJBGO-SFHVURJKSA-N 1 0 284.378 3.210 50 0 CGAARO O[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cccs2)C1 ZINC000282030056 392273666 /nfs/dbraw/zinc/27/36/66/392273666.db2.gz 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/nfs/dbraw/zinc/58/20/55/285582055.db2.gz WURCYIZFGYQQAI-INIZCTEOSA-N 1 0 297.402 3.223 50 0 CGAARO C[N@H+](CCC(C)(C)O)Cc1cccc(C(F)(F)F)c1F ZINC000670447616 543155627 /nfs/dbraw/zinc/15/56/27/543155627.db2.gz YVPJQYPEBWZZSW-UHFFFAOYSA-N 1 0 293.304 3.437 50 0 CGAARO C[NH+](C)[C@@H]1CCCN(Cc2cccc(-c3ccco3)c2)C1 ZINC000670472901 543157174 /nfs/dbraw/zinc/15/71/74/543157174.db2.gz JBGMEKOUGZBWKH-QGZVFWFLSA-N 1 0 284.403 3.473 50 0 CGAARO O[C@@H]1/C(=C/c2ccc(C(F)(F)F)cc2)[NH+]2CCC1CC2 ZINC000012957334 296563173 /nfs/dbraw/zinc/56/31/73/296563173.db2.gz WPCZJSSIEMUSDD-XXYUJHKVSA-N 1 0 283.293 3.133 50 0 CGAARO CSCC[C@H]1c2[nH]cnc2CC[N@H+]1CCC(F)(F)F ZINC000067641803 397639163 /nfs/dbraw/zinc/63/91/63/397639163.db2.gz OXVRVRCPDRMHGG-JTQLQIEISA-N 1 0 293.358 3.014 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1C ZINC000006054468 292168340 /nfs/dbraw/zinc/16/83/40/292168340.db2.gz XDHQBIZRSSEWNK-BRWVUGGUSA-N 1 0 291.435 3.306 50 0 CGAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000219153258 304828829 /nfs/dbraw/zinc/82/88/29/304828829.db2.gz INTHERKCYBJFMN-LOWDOPEQSA-N 1 0 279.346 3.248 50 0 CGAARO CCc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)o1 ZINC000093387776 287115615 /nfs/dbraw/zinc/11/56/15/287115615.db2.gz ZMQWTSHGPYWSME-SFHVURJKSA-N 1 0 285.387 3.324 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000004712165 170003557 /nfs/dbraw/zinc/00/35/57/170003557.db2.gz WSHXXAJVMARHCF-HZPDHXFCSA-N 1 0 287.451 3.024 50 0 CGAARO O[C@]12CCCC[C@H]1[C@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000004731372 170007130 /nfs/dbraw/zinc/00/71/30/170007130.db2.gz XYHROWNMYDANFB-KKUMJFAQSA-N 1 0 265.784 3.296 50 0 CGAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000004802700 170019406 /nfs/dbraw/zinc/01/94/06/170019406.db2.gz NXZOKQXDMWYTLD-JTQLQIEISA-N 1 0 288.174 3.244 50 0 CGAARO C[C@H]1CCC[N@H+](CCCCOc2cccc(C=O)c2)C1 ZINC000004841446 170027881 /nfs/dbraw/zinc/02/78/81/170027881.db2.gz IQJSXRPPDZJAPZ-HNNXBMFYSA-N 1 0 275.392 3.390 50 0 CGAARO CCCc1ccc(OCC[NH2+]Cc2ccco2)c(OC)c1 ZINC000004841900 170028367 /nfs/dbraw/zinc/02/83/67/170028367.db2.gz JBBUUIXTTUKSCJ-UHFFFAOYSA-N 1 0 289.375 3.409 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004942890 170043568 /nfs/dbraw/zinc/04/35/68/170043568.db2.gz VJNNOQGSQMESLE-CYBMUJFWSA-N 1 0 279.767 3.461 50 0 CGAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000004978051 170048109 /nfs/dbraw/zinc/04/81/09/170048109.db2.gz KAVKXZCRFJHGMJ-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CCC[C@H](C)C2)cc1OC ZINC000004989362 170050010 /nfs/dbraw/zinc/05/00/10/170050010.db2.gz DWGYSHSLCSXWCB-ZFWWWQNUSA-N 1 0 277.408 3.415 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006306009 170189887 /nfs/dbraw/zinc/18/98/87/170189887.db2.gz KJKVFCKVEKUSBD-QGZVFWFLSA-N 1 0 299.414 3.481 50 0 CGAARO CCOCCC[NH2+]Cc1cc(Br)cs1 ZINC000006651047 170222314 /nfs/dbraw/zinc/22/23/14/170222314.db2.gz GAMQLUSZYIPIFL-UHFFFAOYSA-N 1 0 278.215 3.027 50 0 CGAARO O[C@@H](C[NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000006703797 170230732 /nfs/dbraw/zinc/23/07/32/170230732.db2.gz KGVMWXOXZIZYGK-JEJOPICUSA-N 1 0 253.345 3.023 50 0 CGAARO CCOc1ccc2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000006743146 170238607 /nfs/dbraw/zinc/23/86/07/170238607.db2.gz ZLYVQUDNNINUNN-UHFFFAOYSA-N 1 0 287.359 3.178 50 0 CGAARO COc1cccc(NC(=O)[C@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000007376291 170280426 /nfs/dbraw/zinc/28/04/26/170280426.db2.gz ZHXFOZQKJITPKI-QGZVFWFLSA-N 1 0 298.386 3.373 50 0 CGAARO c1sc(-c2ccccc2)nc1CSC1=[NH+]CCCN1 ZINC000008132793 170320632 /nfs/dbraw/zinc/32/06/32/170320632.db2.gz DQFGBAYRNZNBGE-UHFFFAOYSA-N 1 0 289.429 3.393 50 0 CGAARO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000008142713 170321040 /nfs/dbraw/zinc/32/10/40/170321040.db2.gz QRMMJKSUUMHDIZ-WFASDCNBSA-N 1 0 274.408 3.362 50 0 CGAARO Cc1[nH]c2ccccc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008700914 170346769 /nfs/dbraw/zinc/34/67/69/170346769.db2.gz ULYRNJXBIWKSGT-GFCCVEGCSA-N 1 0 270.376 3.481 50 0 biogenic CGAARO c1cn(CCC[NH2+][C@H]2CCSC2)c2ccccc12 ZINC000020188687 171053439 /nfs/dbraw/zinc/05/34/39/171053439.db2.gz ZGNMRJLYFLOALF-AWEZNQCLSA-N 1 0 260.406 3.127 50 0 CGAARO COc1cccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268111 171124363 /nfs/dbraw/zinc/12/43/63/171124363.db2.gz YIXSNZPQFKZIPA-OAHLLOKOSA-N 1 0 266.344 3.267 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000020362940 171161865 /nfs/dbraw/zinc/16/18/65/171161865.db2.gz QHSBEPNQJNKUNQ-UHFFFAOYSA-N 1 0 272.323 3.074 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000020419047 171183999 /nfs/dbraw/zinc/18/39/99/171183999.db2.gz CEIMNJLAYFXAQO-MLGOLLRUSA-N 1 0 259.324 3.037 50 0 CGAARO c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3cccnc31)CO2 ZINC000020999795 171284077 /nfs/dbraw/zinc/28/40/77/171284077.db2.gz WUHYUGLLOFJTJJ-QGZVFWFLSA-N 1 0 290.366 3.328 50 0 CGAARO C[NH+](C)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000021835697 171334924 /nfs/dbraw/zinc/33/49/24/171334924.db2.gz BZWSRYOUVLZOAN-MRXNPFEDSA-N 1 0 283.375 3.111 50 0 CGAARO C1C[C@@H]2[C@@H](C3CCCCC3)N([C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000022078510 171352636 /nfs/dbraw/zinc/35/26/36/171352636.db2.gz SCAYWBJPDCRYKZ-BRWVUGGUSA-N 1 0 294.508 3.221 50 0 CGAARO C[C@H]([NH3+])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000022163535 171364880 /nfs/dbraw/zinc/36/48/80/171364880.db2.gz MSAWHMUMJSILBI-NSHDSACASA-N 1 0 272.323 3.027 50 0 CGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000023127956 171413401 /nfs/dbraw/zinc/41/34/01/171413401.db2.gz HVOFJFRJTYNORY-UHFFFAOYSA-N 1 0 292.467 3.338 50 0 CGAARO COc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1OC ZINC000023282835 171418580 /nfs/dbraw/zinc/41/85/80/171418580.db2.gz VXWGYHRFWPYUID-QGZVFWFLSA-N 1 0 297.398 3.351 50 0 CGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CC1CCCCC1 ZINC000037255275 173066160 /nfs/dbraw/zinc/06/61/60/173066160.db2.gz XCOXLBODBBPDHJ-UHFFFAOYSA-N 1 0 270.380 3.142 50 0 CGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037317989 173118108 /nfs/dbraw/zinc/11/81/08/173118108.db2.gz DBMFFYZXXMSIGE-JTQLQIEISA-N 1 0 298.789 3.141 50 0 CGAARO Fc1cccc(F)c1COCC[C@H]1CCCC[NH2+]1 ZINC000042773967 174872369 /nfs/dbraw/zinc/87/23/69/174872369.db2.gz SGEAHNGZLNCLCM-LLVKDONJSA-N 1 0 255.308 3.014 50 0 CGAARO Fc1ccc([C@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000042817196 174886518 /nfs/dbraw/zinc/88/65/18/174886518.db2.gz OOXWLFPYKSAAJW-HZPDHXFCSA-N 1 0 263.356 3.436 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000046088669 175392532 /nfs/dbraw/zinc/39/25/32/175392532.db2.gz WXEWLRCQPDLAAV-UKRRQHHQSA-N 1 0 292.448 3.144 50 0 CGAARO COC[C@H](C)NC(=[NH2+])SCc1cccc2cccnc21 ZINC000054359703 175558407 /nfs/dbraw/zinc/55/84/07/175558407.db2.gz ZDNHQKIQEKPGOI-NSHDSACASA-N 1 0 289.404 3.027 50 0 CGAARO Fc1ccc(N2CC[C@@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000067253448 175771630 /nfs/dbraw/zinc/77/16/30/175771630.db2.gz CEPXMUGREYLDCQ-ZDUSSCGKSA-N 1 0 262.372 3.184 50 0 CGAARO Fc1cc(CC[NH2+]Cc2ccsc2)c2c(c1)COCO2 ZINC000071857552 176278805 /nfs/dbraw/zinc/27/88/05/176278805.db2.gz NPZAWKRQODXYAB-UHFFFAOYSA-N 1 0 293.363 3.086 50 0 CGAARO CC(C)CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000071956907 176304642 /nfs/dbraw/zinc/30/46/42/176304642.db2.gz SDCUXNHQOGZUDP-UHFFFAOYSA-N 1 0 270.417 3.022 50 0 CGAARO CCCc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000072137169 176322747 /nfs/dbraw/zinc/32/27/47/176322747.db2.gz GYPTUUZJFMUKKX-AWEZNQCLSA-N 1 0 264.413 3.148 50 0 CGAARO CSc1ccc(OCC[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000072304867 176366145 /nfs/dbraw/zinc/36/61/45/176366145.db2.gz CABGCSUTAYYNJM-HNNXBMFYSA-N 1 0 295.448 3.288 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](Cc2cc(Cl)ncn2)CC1 ZINC000072343864 176371970 /nfs/dbraw/zinc/37/19/70/176371970.db2.gz LGFLNXDXMLKGOF-GFCCVEGCSA-N 1 0 267.804 3.183 50 0 CGAARO Cn1cnn(C[NH2+][C@@H](c2cccs2)C(C)(C)C)c1=S ZINC000048961429 416462339 /nfs/dbraw/zinc/46/23/39/416462339.db2.gz KHRRVLDSVMBAMG-NSHDSACASA-N 1 0 296.465 3.347 50 0 CGAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000048520194 416454175 /nfs/dbraw/zinc/45/41/75/416454175.db2.gz OHIPSRKJMWALDX-GFCCVEGCSA-N 1 0 272.348 3.479 50 0 CGAARO CC[NH2+]Cc1cc(-c2cc(Br)ccc2C)n[nH]1 ZINC000725264664 544113796 /nfs/dbraw/zinc/11/37/96/544113796.db2.gz DAIQZFKQIYITEV-UHFFFAOYSA-N 1 0 294.196 3.257 50 0 CGAARO CC(C)[C@H](O)[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288538 419736330 /nfs/dbraw/zinc/73/63/30/419736330.db2.gz VLYYESWPIWCQRQ-ZACQAIPSSA-N 1 0 289.419 3.046 50 0 CGAARO c1csc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688738 260114655 /nfs/dbraw/zinc/11/46/55/260114655.db2.gz ORBSTHZLNWEZID-HNNXBMFYSA-N 1 0 254.358 3.465 50 0 CGAARO CC(C)Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000527732347 270132916 /nfs/dbraw/zinc/13/29/16/270132916.db2.gz CQIMZMGWWTYZQV-UHFFFAOYSA-N 1 0 294.402 3.218 50 0 CGAARO COc1ccc([C@H](CC[NH3+])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000244212 277933381 /nfs/dbraw/zinc/93/33/81/277933381.db2.gz LBUHCPWRASYICY-ZBFHGGJFSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO CC1(C)C=C[C@H]([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000225633738 278183782 /nfs/dbraw/zinc/18/37/82/278183782.db2.gz PEOVOXZFHXVBHQ-JKSUJKDBSA-N 1 0 259.393 3.445 50 0 CGAARO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccsc1 ZINC000156161983 278207679 /nfs/dbraw/zinc/20/76/79/278207679.db2.gz ZGMIRDFHRRGNNT-GFCCVEGCSA-N 1 0 281.421 3.127 50 0 CGAARO C[C@@H](CC1CC1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082134853 278224742 /nfs/dbraw/zinc/22/47/42/278224742.db2.gz HGQZQSCBMPKHBB-ZDUSSCGKSA-N 1 0 299.418 3.074 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000097165640 279533517 /nfs/dbraw/zinc/53/35/17/279533517.db2.gz ZXTJZFVDUSQHNH-CQDKDKBSSA-N 1 0 294.826 3.425 50 0 CGAARO O=C(C1CCC1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000065288884 279738460 /nfs/dbraw/zinc/73/84/60/279738460.db2.gz GSCUBFZDGJFWOV-MRXNPFEDSA-N 1 0 278.440 3.044 50 0 CGAARO C[NH+](C)C1(CNC(=S)NC2CCCCC2)CCCCC1 ZINC000003325780 289058182 /nfs/dbraw/zinc/05/81/82/289058182.db2.gz CZLQSNUEZKAADB-UHFFFAOYSA-N 1 0 297.512 3.048 50 0 CGAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nn1C ZINC000426528120 293141709 /nfs/dbraw/zinc/14/17/09/293141709.db2.gz WJBSZFBTJNJEAZ-CYBMUJFWSA-N 1 0 284.407 3.337 50 0 CGAARO Cc1ccc(N2C(=O)[C@H](C[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000005541463 301624386 /nfs/dbraw/zinc/62/43/86/301624386.db2.gz OELCSXWFUBZJLT-MSOLQXFVSA-N 1 0 294.398 3.261 50 0 CGAARO Clc1cccc(C2([NH2+][C@H]3CCCOC3)CC2)c1 ZINC000534584086 328310330 /nfs/dbraw/zinc/31/03/30/328310330.db2.gz SJLIRPGMYXRVLR-ZDUSSCGKSA-N 1 0 251.757 3.098 50 0 CGAARO Cc1cnc(C)c(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000534587348 328316052 /nfs/dbraw/zinc/31/60/52/328316052.db2.gz WORLNJSEWHOMDV-HNNXBMFYSA-N 1 0 288.439 3.160 50 0 CGAARO Clc1ccccc1C1([NH2+][C@H]2CCCOC2)CC1 ZINC000534587711 328316120 /nfs/dbraw/zinc/31/61/20/328316120.db2.gz NVDKEJARCKZRLN-NSHDSACASA-N 1 0 251.757 3.098 50 0 CGAARO Cc1nccn1C[C@@H](C)[NH2+]C1(Cc2ccccc2C)CC1 ZINC000534590107 328317914 /nfs/dbraw/zinc/31/79/14/328317914.db2.gz OSLUQMWRTLHQHY-OAHLLOKOSA-N 1 0 283.419 3.253 50 0 CGAARO C[C@@H](O)[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573441 336056429 /nfs/dbraw/zinc/05/64/29/336056429.db2.gz QMAFHXULSZVICC-NFAWXSAZSA-N 1 0 265.372 3.022 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000096476543 533919886 /nfs/dbraw/zinc/91/98/86/533919886.db2.gz UFPSJVQPUKIPID-ZDUSSCGKSA-N 1 0 298.415 3.239 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)nc1 ZINC000096486362 534088797 /nfs/dbraw/zinc/08/87/97/534088797.db2.gz TUMXEBGZBRJFBG-CXAGYDPISA-N 1 0 288.366 3.131 50 0 CGAARO CCOc1ccc(-c2cccc(NC(C)=O)c2)cc1C[NH2+]C ZINC000067982812 520811368 /nfs/dbraw/zinc/81/13/68/520811368.db2.gz MHABBMJPBFKLFM-UHFFFAOYSA-N 1 0 298.386 3.430 50 0 CGAARO CCc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000019871934 523943051 /nfs/dbraw/zinc/94/30/51/523943051.db2.gz RVPGAQKKCJHKJX-KRWDZBQOSA-N 1 0 255.361 3.072 50 0 CGAARO CCOC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000000757654 528957199 /nfs/dbraw/zinc/95/71/99/528957199.db2.gz APKJMUKORKEQSB-UHFFFAOYSA-N 1 0 296.798 3.051 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000096494379 529221969 /nfs/dbraw/zinc/22/19/69/529221969.db2.gz KVIPQMHHANAITE-UONOGXRCSA-N 1 0 281.469 3.284 50 0 CGAARO CCn1c(C)cc2cc(NC(=O)[C@@H]3CCCC[NH2+]3)ccc21 ZINC000952975318 615920057 /nfs/dbraw/zinc/92/00/57/615920057.db2.gz ISMRSNJIMADCGQ-HNNXBMFYSA-N 1 0 285.391 3.050 50 0 CGAARO CCN1CC[NH+]([C@@H](C)CC(C)(C)c2ccc(C)o2)CC1 ZINC000022027583 617898273 /nfs/dbraw/zinc/89/82/73/617898273.db2.gz ROCCUVNYKXFECJ-AWEZNQCLSA-N 1 0 278.440 3.282 50 0 CGAARO COc1cccc(CC[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000000212453 620026180 /nfs/dbraw/zinc/02/61/80/620026180.db2.gz KXCWAVCUPICGCM-SFHVURJKSA-N 1 0 281.399 3.385 50 0 CGAARO C[C@@H](COc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000952966827 625867900 /nfs/dbraw/zinc/86/79/00/625867900.db2.gz WZMVZKIKDJRNMB-INIZCTEOSA-N 1 0 290.451 3.308 50 0 CGAARO Cc1cccc(CN(C(=O)[C@H]2CC[NH2+]2)C2CCCCC2)c1 ZINC000952988241 636777379 /nfs/dbraw/zinc/77/73/79/636777379.db2.gz PDBPEFZMCCOARO-QGZVFWFLSA-N 1 0 286.419 3.018 50 0 CGAARO OC[C@@H]([NH2+]C1CCC2(CSC2)CC1)c1ccc(F)cc1 ZINC000952995258 636778618 /nfs/dbraw/zinc/77/86/18/636778618.db2.gz GJUHHWHIHQBLDC-OAHLLOKOSA-N 1 0 295.423 3.125 50 0 CGAARO COc1ccccc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000074372140 638888431 /nfs/dbraw/zinc/88/84/31/638888431.db2.gz PFLNRCQOKPTDCY-UHFFFAOYSA-N 1 0 299.370 3.030 50 0 CGAARO CSCC[NH2+]Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000015065504 640972367 /nfs/dbraw/zinc/97/23/67/640972367.db2.gz WNYTTXYNRYLTAZ-UHFFFAOYSA-N 1 0 275.421 3.146 50 0 CGAARO COc1cccc(C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000015072394 640972578 /nfs/dbraw/zinc/97/25/78/640972578.db2.gz ZHVUHQVIGZXASH-LJQANCHMSA-N 1 0 297.398 3.139 50 0 CGAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019853623 641038881 /nfs/dbraw/zinc/03/88/81/641038881.db2.gz BSGKDIVDTCEBLL-QGZVFWFLSA-N 1 0 287.790 3.434 50 0 CGAARO CCCc1ccc(O[C@@]23CC[N@H+](C2)CCC3)c(OC)c1 ZINC000067920921 798911104 /nfs/dbraw/zinc/91/11/04/798911104.db2.gz GOMVKTOQURTJQW-KRWDZBQOSA-N 1 0 275.392 3.265 50 0 CGAARO O=C(CC[NH+]1CCC(=C(F)F)CC1)Nc1cccc(F)c1 ZINC000585115964 799677170 /nfs/dbraw/zinc/67/71/70/799677170.db2.gz BTNVCUPQJAOCDF-UHFFFAOYSA-N 1 0 298.308 3.401 50 0 CGAARO Cc1cnc2cc(C(=O)N3CCCCCCC3)ccn12 ZINC000585091067 799677843 /nfs/dbraw/zinc/67/78/43/799677843.db2.gz SLUGDVGIEDXVSC-UHFFFAOYSA-N 1 0 271.364 3.049 50 0 CGAARO C[C@@H](c1nc(-c2ccco2)n[nH]1)[NH+]1CCCCCC1 ZINC000822182696 800459872 /nfs/dbraw/zinc/45/98/72/800459872.db2.gz FNILUNNOCAVIIS-NSHDSACASA-N 1 0 260.341 3.002 50 0 CGAARO CC[C@H](Cc1ccco1)[NH2+]CCCNc1ccc(C)cn1 ZINC000822620667 800462462 /nfs/dbraw/zinc/46/24/62/800462462.db2.gz DOXXRBOBLDYQPF-OAHLLOKOSA-N 1 0 287.407 3.396 50 0 CGAARO CC(C)c1nc([C@@H](C)[NH3+])n(-c2ccccc2Cl)n1 ZINC000825062159 800473062 /nfs/dbraw/zinc/47/30/62/800473062.db2.gz XMIWEAODGIOQOQ-SECBINFHSA-N 1 0 264.760 3.064 50 0 CGAARO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1cccs1 ZINC000828000445 800480016 /nfs/dbraw/zinc/48/00/16/800480016.db2.gz GVMPJBQOGPOUTM-CYBMUJFWSA-N 1 0 280.437 3.191 50 0 CGAARO Cc1nc([C@@H]2CCCC[NH2+]2)n(Cc2cccc(Cl)c2)n1 ZINC000885939064 800545037 /nfs/dbraw/zinc/54/50/37/800545037.db2.gz PXFYUMVYAMYVKX-AWEZNQCLSA-N 1 0 290.798 3.103 50 0 CGAARO Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)CC2)o1 ZINC000952881000 800687051 /nfs/dbraw/zinc/68/70/51/800687051.db2.gz FQVWIEFJHLWHIE-TZMCWYRMSA-N 1 0 286.379 3.104 50 0 CGAARO c1sc(-c2cnccn2)nc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000952960072 800687701 /nfs/dbraw/zinc/68/77/01/800687701.db2.gz ZXZVDVQCHOKEPK-GFCCVEGCSA-N 1 0 286.404 3.046 50 0 CGAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CCCC1 ZINC000032537170 927574866 /nfs/dbraw/zinc/57/48/66/927574866.db2.gz KAXMMCRETQUDJS-HNNXBMFYSA-N 1 0 285.472 3.239 50 0 CGAARO Cc1cc(C)nc(C[NH2+][C@@H]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC001506403493 937989631 /nfs/dbraw/zinc/98/96/31/937989631.db2.gz SJVHOVATERTOOT-RNONSGAXSA-N 1 0 285.435 3.398 50 0 CGAARO C[N@H+](CC[C@H]1CCCCO1)Cc1ccnn1-c1ccccc1 ZINC001506403129 937989698 /nfs/dbraw/zinc/98/96/98/937989698.db2.gz RNJYLEPMIZWRJW-GOSISDBHSA-N 1 0 299.418 3.263 50 0 CGAARO C[C@@H](CCCC(C)(C)O)CC[NH2+][C@@H]1CCSC1 ZINC000032520401 957821666 /nfs/dbraw/zinc/82/16/66/957821666.db2.gz BNZIGBVZQQFVCX-QWHCGFSZSA-N 1 0 259.459 3.049 50 0 CGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(Cl)cc1F ZINC000095513272 185001979 /nfs/dbraw/zinc/00/19/79/185001979.db2.gz WLSJNWDOPFVQDO-LLVKDONJSA-N 1 0 299.777 3.085 50 0 CGAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCO)c(OC)c1)C(C)C ZINC000095967424 185046870 /nfs/dbraw/zinc/04/68/70/185046870.db2.gz YRYXWVUUBTVXQD-DZGCQCFKSA-N 1 0 295.423 3.152 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000095967737 185047026 /nfs/dbraw/zinc/04/70/26/185047026.db2.gz STNVQERCHUMZFO-VIFPVBQESA-N 1 0 258.456 3.461 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000095985209 185055524 /nfs/dbraw/zinc/05/55/24/185055524.db2.gz SOFQYXCXNYYRAY-GFCCVEGCSA-N 1 0 296.374 3.328 50 0 CGAARO Cc1ccc(SCCC[NH+]2CCN(C)CC2)c(C)c1 ZINC000096003419 185061652 /nfs/dbraw/zinc/06/16/52/185061652.db2.gz YIKYGNRIAALSMH-UHFFFAOYSA-N 1 0 278.465 3.033 50 0 CGAARO Fc1ccc(CC[NH2+]CCc2ccc(Cl)nc2)c(F)c1 ZINC000096006939 185063194 /nfs/dbraw/zinc/06/31/94/185063194.db2.gz BJXLXCDINUMUKA-UHFFFAOYSA-N 1 0 296.748 3.388 50 0 CGAARO C[C@@H]([NH2+]CCCc1cc(F)cc(F)c1)c1cnccn1 ZINC000097032900 185156154 /nfs/dbraw/zinc/15/61/54/185156154.db2.gz YRJCNTJCZMVHAE-LLVKDONJSA-N 1 0 277.318 3.038 50 0 CGAARO Cc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)s1 ZINC000334482201 282315588 /nfs/dbraw/zinc/31/55/88/282315588.db2.gz WHRNHVDLBGRHBF-AWEZNQCLSA-N 1 0 287.432 3.472 50 0 CGAARO CC[NH+](CC)CCCCOc1ccccc1OC ZINC000002880576 344857938 /nfs/dbraw/zinc/85/79/38/344857938.db2.gz XCLSHAXRZJQINQ-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO CC[NH+](CC)CCOCCOc1cccc(Cl)c1 ZINC000016667096 344886887 /nfs/dbraw/zinc/88/68/87/344886887.db2.gz SCJOFZASWJLDFQ-UHFFFAOYSA-N 1 0 271.788 3.077 50 0 CGAARO Fc1ccccc1N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000023281212 344897858 /nfs/dbraw/zinc/89/78/58/344897858.db2.gz MNZNVDYPBCFPFZ-HNNXBMFYSA-N 1 0 274.383 3.304 50 0 CGAARO CC[NH2+]C(C)(C)C(=O)c1cn(CC)c2ccccc12 ZINC000034222356 344938319 /nfs/dbraw/zinc/93/83/19/344938319.db2.gz PMFMVRPWSRPQDH-UHFFFAOYSA-N 1 0 258.365 3.232 50 0 CGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC)cc1 ZINC000072298479 345409078 /nfs/dbraw/zinc/40/90/78/345409078.db2.gz PZVGOUOLNIKLFU-INIZCTEOSA-N 1 0 285.391 3.079 50 0 CGAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC000079919853 345658596 /nfs/dbraw/zinc/65/85/96/345658596.db2.gz DNEYAADTWSFXTJ-UHFFFAOYSA-N 1 0 283.419 3.486 50 0 CGAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000089937547 345776685 /nfs/dbraw/zinc/77/66/85/345776685.db2.gz XLMUFQSANCFRCN-IFXJQAMLSA-N 1 0 296.414 3.186 50 0 CGAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000095423708 345900167 /nfs/dbraw/zinc/90/01/67/345900167.db2.gz SYMRUWXBFXIQDV-IHRRRGAJSA-N 1 0 276.428 3.234 50 0 CGAARO CCCOC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000096026358 345900983 /nfs/dbraw/zinc/90/09/83/345900983.db2.gz LBCDCBMJWMCPNG-HNNXBMFYSA-N 1 0 261.365 3.167 50 0 CGAARO CC(=O)N(CC[C@H]([NH3+])c1ccccc1)c1ccccc1C ZINC000096027830 345901660 /nfs/dbraw/zinc/90/16/60/345901660.db2.gz WXJBFVODTRARIZ-KRWDZBQOSA-N 1 0 282.387 3.438 50 0 CGAARO CC[NH+](CC)C[C@@H](O)C1(c2ccccc2)CCCC1 ZINC000096028018 345902001 /nfs/dbraw/zinc/90/20/01/345902001.db2.gz NJOMLQLCJRQIDN-MRXNPFEDSA-N 1 0 261.409 3.201 50 0 CGAARO Cc1csc([C@@H]([NH2+][C@@H]2CCCSC2)C2CC2)n1 ZINC000097370839 345908097 /nfs/dbraw/zinc/90/80/97/345908097.db2.gz CDWCYHUSUNAEEP-NEPJUHHUSA-N 1 0 268.451 3.388 50 0 CGAARO C[C@](O)(C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000225464277 346304670 /nfs/dbraw/zinc/30/46/70/346304670.db2.gz QLQBUUOHTAZUNM-MDZLAQPJSA-N 1 0 291.313 3.198 50 0 CGAARO COC[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccccc1 ZINC000225634014 346304845 /nfs/dbraw/zinc/30/48/45/346304845.db2.gz CIFFCWYMSNRFBM-KRWDZBQOSA-N 1 0 291.341 3.485 50 0 CGAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1cccs1 ZINC000247862151 346373248 /nfs/dbraw/zinc/37/32/48/346373248.db2.gz WLERMCPYJVORCQ-CFVMTHIKSA-N 1 0 293.432 3.097 50 0 CGAARO c1sc(CC[NH2+][C@H]2CCCOC2)nc1-c1ccccc1 ZINC000584897722 346723032 /nfs/dbraw/zinc/72/30/32/346723032.db2.gz WBOKMFXZEXZHNL-AWEZNQCLSA-N 1 0 288.416 3.121 50 0 CGAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000090728980 180032769 /nfs/dbraw/zinc/03/27/69/180032769.db2.gz ZTNJKUHBSDEFJP-ZWNOBZJWSA-N 1 0 280.412 3.331 50 0 CGAARO CC(C)[C@@H]1CN(Cc2ccc(O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000091894222 180282213 /nfs/dbraw/zinc/28/22/13/180282213.db2.gz PEEZUIPGROSRKQ-DZGCQCFKSA-N 1 0 296.842 3.064 50 0 CGAARO O[C@H]1CC[N@H+](Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000636440462 351762255 /nfs/dbraw/zinc/76/22/55/351762255.db2.gz FQRWPENVTWUZJJ-HOTGVXAUSA-N 1 0 273.401 3.446 50 0 CGAARO Cc1cccc(C2CC([NH2+]CC[S@@](=O)C(C)(C)C)C2)c1 ZINC000154211955 188129116 /nfs/dbraw/zinc/12/91/16/188129116.db2.gz LBQLTJCRUHIBMT-PMTKGXAQSA-N 1 0 293.476 3.378 50 0 CGAARO CCc1nc(C[NH2+][C@H](Cc2ccccn2)C2CC2)cs1 ZINC000156484453 188265030 /nfs/dbraw/zinc/26/50/30/188265030.db2.gz NUUANESEHSTWQR-OAHLLOKOSA-N 1 0 287.432 3.211 50 0 CGAARO Cc1ccc(C)c(OCC[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000341982602 216176489 /nfs/dbraw/zinc/17/64/89/216176489.db2.gz AZGSZXCAUDKWKS-SFHVURJKSA-N 1 0 289.419 3.185 50 0 CGAARO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cncc(F)c1 ZINC000182274721 189318290 /nfs/dbraw/zinc/31/82/90/189318290.db2.gz RVTFCMLUKLAGJP-LLVKDONJSA-N 1 0 256.324 3.039 50 0 CGAARO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@H]1CCCC[C@@H]1C ZINC000120056710 370735982 /nfs/dbraw/zinc/73/59/82/370735982.db2.gz FHYGIPMNOAOINR-WFASDCNBSA-N 1 0 276.428 3.322 50 0 CGAARO CC[C@]1(C)C[C@@](CC[NH3+])(c2ccccc2OC)CCO1 ZINC000000171734 368308560 /nfs/dbraw/zinc/30/85/60/368308560.db2.gz PIZPJDAJWPLXFJ-SJORKVTESA-N 1 0 277.408 3.261 50 0 biogenic CGAARO C[C@H](c1ccccc1)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000000187167 368311596 /nfs/dbraw/zinc/31/15/96/368311596.db2.gz ODYIWFSYHAIAAO-HYVNUMGLSA-N 1 0 275.392 3.018 50 0 CGAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000000263445 368328239 /nfs/dbraw/zinc/32/82/39/368328239.db2.gz DYLSDKFAKSASJJ-CQSZACIVSA-N 1 0 279.424 3.246 50 0 CGAARO COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)cc(OC)c1 ZINC000000293409 368334645 /nfs/dbraw/zinc/33/46/45/368334645.db2.gz BYIJGCICTITMNK-UHFFFAOYSA-N 1 0 293.313 3.272 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000000316986 368340671 /nfs/dbraw/zinc/34/06/71/368340671.db2.gz LUXAZHNJKKBWFF-NVXWUHKLSA-N 1 0 286.419 3.023 50 0 CGAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000000568270 368387887 /nfs/dbraw/zinc/38/78/87/368387887.db2.gz GLCBNXBXNQLIGW-UHFFFAOYSA-N 1 0 283.375 3.176 50 0 CGAARO CCCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(O)cc12 ZINC000002112699 368446978 /nfs/dbraw/zinc/44/69/78/368446978.db2.gz XEVXPHHIPLGIKJ-UHFFFAOYSA-N 1 0 275.348 3.039 50 0 biogenic CGAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000002527185 368460407 /nfs/dbraw/zinc/46/04/07/368460407.db2.gz IUJZIXJMTQNFOG-UHFFFAOYSA-N 1 0 290.407 3.176 50 0 CGAARO CCC[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000002564787 368464811 /nfs/dbraw/zinc/46/48/11/368464811.db2.gz HPXHERWSLMDPQQ-SJORKVTESA-N 1 0 255.361 3.461 50 0 CGAARO Cc1ccc(OCCn2c(N)[nH+]c3ccccc32)cc1 ZINC000002575413 368467132 /nfs/dbraw/zinc/46/71/32/368467132.db2.gz VDNQVSXTNUGNHF-UHFFFAOYSA-N 1 0 267.332 3.006 50 0 CGAARO CC[NH+](CC)CCCNCc1c(F)cccc1Cl ZINC000002933155 368486027 /nfs/dbraw/zinc/48/60/27/368486027.db2.gz LTWLAQUMCMYFHO-UHFFFAOYSA-N 1 0 272.795 3.301 50 0 CGAARO Cc1cc(C)c(C)c(OCCOCC[NH+]2CCCC2)c1 ZINC000002896792 368486038 /nfs/dbraw/zinc/48/60/38/368486038.db2.gz MQERGFIBHRXSPT-UHFFFAOYSA-N 1 0 277.408 3.103 50 0 CGAARO [NH2+]=C(COc1ccc(Cl)cc1)NCc1ccccc1 ZINC000003156698 368493438 /nfs/dbraw/zinc/49/34/38/368493438.db2.gz CTHGJPIDRRXZPM-UHFFFAOYSA-N 1 0 274.751 3.486 50 0 CGAARO O=C(Cc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029469 368527069 /nfs/dbraw/zinc/52/70/69/368527069.db2.gz ANRKBSNCMOEINP-DLBZAZTESA-N 1 0 287.403 3.037 50 0 biogenic,in-vitro CGAARO COc1ccc(C(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004086316 368529658 /nfs/dbraw/zinc/52/96/58/368529658.db2.gz VIANQVSRZBSIQR-UHFFFAOYSA-N 1 0 299.414 3.436 50 0 CGAARO CCC[NH+]1CCC(NCc2ccccc2Cl)CC1 ZINC000003683613 368517313 /nfs/dbraw/zinc/51/73/13/368517313.db2.gz INSZHYODJCAHJL-UHFFFAOYSA-N 1 0 266.816 3.304 50 0 CGAARO CC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000003662485 368518142 /nfs/dbraw/zinc/51/81/42/368518142.db2.gz WLSUNCYDXDVBSK-UHFFFAOYSA-N 1 0 297.402 3.004 50 0 CGAARO CC[NH+](CC)Cc1nc(=S)c2c(C)c(C)sc2[nH]1 ZINC000004206801 368536418 /nfs/dbraw/zinc/53/64/18/368536418.db2.gz JZTSLURIHPAIGZ-UHFFFAOYSA-N 1 0 281.450 3.439 50 0 CGAARO CC(C)OCCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000004290952 368541155 /nfs/dbraw/zinc/54/11/55/368541155.db2.gz FSARTJNMIHTUDY-AWEZNQCLSA-N 1 0 265.397 3.118 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000004304985 368542320 /nfs/dbraw/zinc/54/23/20/368542320.db2.gz OUCWOOHGPMSVMN-GRDNDAEWSA-N 1 0 291.435 3.021 50 0 CGAARO Cc1ccc2nc(C[N@H+](C)CC3CCCCC3)cc(=O)n2c1 ZINC000013018688 368641107 /nfs/dbraw/zinc/64/11/07/368641107.db2.gz JZSZEVXORMESBM-UHFFFAOYSA-N 1 0 299.418 3.015 50 0 CGAARO Cc1ccc(NC(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000013096132 368642837 /nfs/dbraw/zinc/64/28/37/368642837.db2.gz MPYJWZYYSKCHFZ-UHFFFAOYSA-N 1 0 260.381 3.118 50 0 CGAARO CC1CC[NH+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000013154171 368644826 /nfs/dbraw/zinc/64/48/26/368644826.db2.gz FJHWBIQXBLWHIE-IXDOHACOSA-N 1 0 297.483 3.311 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000013323119 368649532 /nfs/dbraw/zinc/64/95/32/368649532.db2.gz WWLXAKRALLNSRY-UHFFFAOYSA-N 1 0 264.344 3.029 50 0 CGAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccco2)C1 ZINC000013397343 368653167 /nfs/dbraw/zinc/65/31/67/368653167.db2.gz FIMPJCWBSXAFIG-KBPBESRZSA-N 1 0 289.762 3.461 50 0 CGAARO c1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)cc1 ZINC000013993283 368673241 /nfs/dbraw/zinc/67/32/41/368673241.db2.gz VIUKZKKVASWGSF-SFHVURJKSA-N 1 0 282.387 3.263 50 0 CGAARO c1ccc(-c2ccc(CO[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632052 368684391 /nfs/dbraw/zinc/68/43/91/368684391.db2.gz JOXDMIXQSCAAFY-KRWDZBQOSA-N 1 0 253.345 3.232 50 0 CGAARO Cc1cc(Cl)ccc1OCCCC[NH+]1CCOCC1 ZINC000019770591 368764701 /nfs/dbraw/zinc/76/47/01/368764701.db2.gz KYOZRMYMNSVNJO-UHFFFAOYSA-N 1 0 283.799 3.140 50 0 CGAARO CCn1c2ccccc2c2cc(C[NH2+]CCN(C)C)ccc21 ZINC000022995818 368813714 /nfs/dbraw/zinc/81/37/14/368813714.db2.gz QIWYDMLVRGNPCM-UHFFFAOYSA-N 1 0 295.430 3.466 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CC[C@@H](C)C2)cc1OC ZINC000023280191 368818713 /nfs/dbraw/zinc/81/87/13/368818713.db2.gz JJZJQWLRGRNPLB-OCCSQVGLSA-N 1 0 263.381 3.025 50 0 CGAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000024189281 368829185 /nfs/dbraw/zinc/82/91/85/368829185.db2.gz WTRXLVAAYOLYOI-UHFFFAOYSA-N 1 0 298.386 3.114 50 0 CGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000027333939 368870187 /nfs/dbraw/zinc/87/01/87/368870187.db2.gz XSFICGPMDRZQHB-OAHLLOKOSA-N 1 0 290.407 3.113 50 0 CGAARO CC(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027749515 368875070 /nfs/dbraw/zinc/87/50/70/368875070.db2.gz DSLKJQXCCKEZNS-AWEZNQCLSA-N 1 0 294.464 3.437 50 0 CGAARO COc1ccc2[nH]cc(C[NH2+]Cc3ccco3)c2c1 ZINC000030714468 368905175 /nfs/dbraw/zinc/90/51/75/368905175.db2.gz VDLWWURNDWEWLO-UHFFFAOYSA-N 1 0 256.305 3.059 50 0 biogenic CGAARO O=C(Cn1ccnc1)c1ccc(Cl)c(Cl)c1 ZINC000034224018 368972163 /nfs/dbraw/zinc/97/21/63/368972163.db2.gz CGPPNOXSXIELIQ-UHFFFAOYSA-N 1 0 255.104 3.073 50 0 CGAARO CC(C)(C)c1ccc2oc(N3CCC([NH3+])CC3)nc2c1 ZINC000034924841 368979196 /nfs/dbraw/zinc/97/91/96/368979196.db2.gz LFHMIFVRARWHCA-UHFFFAOYSA-N 1 0 273.380 3.053 50 0 CGAARO C[C@@H](c1cccc(-c2cncc(N)c2)c1)[NH+]1CCCC1 ZINC000032587056 368936586 /nfs/dbraw/zinc/93/65/86/368936586.db2.gz BPIVYMDZQOLJQO-ZDUSSCGKSA-N 1 0 267.376 3.488 50 0 CGAARO CCOc1ccc(-c2cc(CC[NH3+])ccc2OC)cc1 ZINC000032598076 368937355 /nfs/dbraw/zinc/93/73/55/368937355.db2.gz KYRBYOGNUGLHFO-UHFFFAOYSA-N 1 0 271.360 3.262 50 0 CGAARO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000035755544 369004579 /nfs/dbraw/zinc/00/45/79/369004579.db2.gz ZHBGUCITSZSMQV-LHLIQPBNSA-N 1 0 258.184 3.191 50 0 CGAARO CCn1c2ccccc2c2cc(C[NH2+][C@H](C)CO)ccc21 ZINC000036825927 369031468 /nfs/dbraw/zinc/03/14/68/369031468.db2.gz YMUZIIXKNPATNG-CYBMUJFWSA-N 1 0 282.387 3.285 50 0 CGAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccncc1 ZINC000037089779 369061331 /nfs/dbraw/zinc/06/13/31/369061331.db2.gz XJEWDZRSZAEEBZ-NSHDSACASA-N 1 0 260.312 3.080 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000037975597 369128795 /nfs/dbraw/zinc/12/87/95/369128795.db2.gz ZXUIETDAYMWIIP-NEPJUHHUSA-N 1 0 280.799 3.002 50 0 CGAARO Nc1ccccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000039381935 369151007 /nfs/dbraw/zinc/15/10/07/369151007.db2.gz LKCLUVMTZWCXTC-UHFFFAOYSA-N 1 0 295.430 3.023 50 0 CGAARO Clc1cc(Cl)c(O[C@H]2CC[NH2+]C2)cc1Cl ZINC000042776178 369232589 /nfs/dbraw/zinc/23/25/89/369232589.db2.gz UUHZIJOIBJFGLQ-LURJTMIESA-N 1 0 266.555 3.388 50 0 CGAARO COc1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770930 369230614 /nfs/dbraw/zinc/23/06/14/369230614.db2.gz MNNXDBVDGIUZTC-UHFFFAOYSA-N 1 0 269.772 3.117 50 0 CGAARO Fc1cccc(F)c1COCC[C@@H]1CCCC[NH2+]1 ZINC000042773963 369231817 /nfs/dbraw/zinc/23/18/17/369231817.db2.gz SGEAHNGZLNCLCM-NSHDSACASA-N 1 0 255.308 3.014 50 0 CGAARO Cc1cccc(C[NH2+]CCOc2ccccc2)c1C ZINC000048298253 369339775 /nfs/dbraw/zinc/33/97/75/369339775.db2.gz WHXLAZXPIFCGDW-UHFFFAOYSA-N 1 0 255.361 3.472 50 0 CGAARO O=C(C[NH+]1CCCC1)N(c1ccccc1)C1CCCCC1 ZINC000048288475 369340124 /nfs/dbraw/zinc/34/01/24/369340124.db2.gz AYADYIDGXXQJCT-UHFFFAOYSA-N 1 0 286.419 3.448 50 0 CGAARO Oc1ccc(CC[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000343757503 216903035 /nfs/dbraw/zinc/90/30/35/216903035.db2.gz GCERJPFNNYEGNL-UHFFFAOYSA-N 1 0 296.345 3.412 50 0 CGAARO C[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000049595612 369412745 /nfs/dbraw/zinc/41/27/45/369412745.db2.gz CXTYTAAAWKRHNR-NSHDSACASA-N 1 0 284.197 3.170 50 0 CGAARO OCCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000049849876 369417589 /nfs/dbraw/zinc/41/75/89/369417589.db2.gz FNWAOICPQPGRKY-UHFFFAOYSA-N 1 0 261.409 3.104 50 0 CGAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccncc1 ZINC000055175094 369511960 /nfs/dbraw/zinc/51/19/60/369511960.db2.gz DWYXYEGVRRVARQ-UHFFFAOYSA-N 1 0 266.266 3.390 50 0 CGAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000057999852 369551616 /nfs/dbraw/zinc/55/16/16/369551616.db2.gz MVIDMPLZGBYBCL-CQSZACIVSA-N 1 0 282.387 3.366 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2F)C1 ZINC000058168608 369557177 /nfs/dbraw/zinc/55/71/77/369557177.db2.gz YKKKQWUPUOQTSB-CYBMUJFWSA-N 1 0 293.386 3.068 50 0 CGAARO CC(C)=CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058290822 369562387 /nfs/dbraw/zinc/56/23/87/369562387.db2.gz QQCGKAYVEQKZKX-UHFFFAOYSA-N 1 0 278.440 3.114 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1cc2cccc(C)c2o1 ZINC000058431057 369568425 /nfs/dbraw/zinc/56/84/25/369568425.db2.gz JPZAWIWSCSPPQW-UHFFFAOYSA-N 1 0 288.391 3.203 50 0 CGAARO CC(C)CCC[C@H]1C[N@@H+](C2CCSCC2)CCO1 ZINC000065410303 369674352 /nfs/dbraw/zinc/67/43/52/369674352.db2.gz APRZYERFFWMADF-HNNXBMFYSA-N 1 0 271.470 3.409 50 0 CGAARO CN(Cc1cccnc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000065456005 369677947 /nfs/dbraw/zinc/67/79/47/369677947.db2.gz TYJKANNNBKILEM-UHFFFAOYSA-N 1 0 295.430 3.309 50 0 CGAARO CC(C)Cc1nc(-c2cccc([C@H](C)[NH+](C)C)c2)n[nH]1 ZINC000065535574 369682843 /nfs/dbraw/zinc/68/28/43/369682843.db2.gz ATBGMVUVBIGBQA-LBPRGKRZSA-N 1 0 272.396 3.293 50 0 CGAARO COc1ccc(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069443274 369760388 /nfs/dbraw/zinc/76/03/88/369760388.db2.gz UQYAGKNGQSNHEO-OAHLLOKOSA-N 1 0 294.826 3.019 50 0 CGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000069493285 369762462 /nfs/dbraw/zinc/76/24/62/369762462.db2.gz WMLGHIJLUAFCTP-VXGBXAGGSA-N 1 0 279.334 3.209 50 0 CGAARO CCn1nc(C)c(C[NH2+][C@@H](C)Cc2cccc(F)c2)c1C ZINC000067821609 369731713 /nfs/dbraw/zinc/73/17/13/369731713.db2.gz VQQADPSAVMJJEB-LBPRGKRZSA-N 1 0 289.398 3.380 50 0 CGAARO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)C/C=C/c1ccco1 ZINC000067934411 369735296 /nfs/dbraw/zinc/73/52/96/369735296.db2.gz JJFHLKKLJLXXNA-VUDGCMKMSA-N 1 0 259.353 3.326 50 0 CGAARO COCc1ncc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cn1 ZINC000067909263 369735514 /nfs/dbraw/zinc/73/55/14/369735514.db2.gz XVYQFDOKNWWOKX-QGZVFWFLSA-N 1 0 297.402 3.132 50 0 CGAARO CCC[NH+](CCC)[C@H](C(=O)OCC)c1ccccc1 ZINC000071771056 369810309 /nfs/dbraw/zinc/81/03/09/369810309.db2.gz OJTCMBFRPUVHGY-HNNXBMFYSA-N 1 0 263.381 3.413 50 0 CGAARO Fc1ccccc1[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000072428089 369819603 /nfs/dbraw/zinc/81/96/03/369819603.db2.gz HBUQIYHPEIIOTC-AWEZNQCLSA-N 1 0 256.324 3.210 50 0 CGAARO C[N@H+](Cc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000072474512 369821210 /nfs/dbraw/zinc/82/12/10/369821210.db2.gz NVQQRSGQEKWYAM-UHFFFAOYSA-N 1 0 267.332 3.097 50 0 CGAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@@H](C)n1cccn1 ZINC000075133889 369895840 /nfs/dbraw/zinc/89/58/40/369895840.db2.gz DICNQKJEYSXCSQ-ZIAGYGMSSA-N 1 0 280.375 3.171 50 0 CGAARO CCC[C@H]1SCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000078966305 369957109 /nfs/dbraw/zinc/95/71/09/369957109.db2.gz LEPYKXDJUBQSDL-OAHLLOKOSA-N 1 0 292.448 3.063 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2cc(C)c(CC)s2)CC1 ZINC000078973525 369957696 /nfs/dbraw/zinc/95/76/96/369957696.db2.gz VUDJOPZYSOYHDF-UHFFFAOYSA-N 1 0 294.464 3.223 50 0 CGAARO COCCCCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000075582709 369913545 /nfs/dbraw/zinc/91/35/45/369913545.db2.gz NNHWAJOPABFMCQ-UHFFFAOYSA-N 1 0 289.419 3.398 50 0 CGAARO C[N@H+](CCOc1ccc(Cl)cc1)[C@@H](CO)C(C)(C)C ZINC000089621510 370045265 /nfs/dbraw/zinc/04/52/65/370045265.db2.gz UEDPWGJMPLGRGL-AWEZNQCLSA-N 1 0 285.815 3.058 50 0 CGAARO c1cc([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000089807981 370047544 /nfs/dbraw/zinc/04/75/44/370047544.db2.gz SUDYFDFPDHPQAD-HNNXBMFYSA-N 1 0 292.386 3.338 50 0 CGAARO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cncc(F)c1 ZINC000089904609 370049997 /nfs/dbraw/zinc/04/99/97/370049997.db2.gz VIKDJFQCHXJPOR-CYBMUJFWSA-N 1 0 273.355 3.008 50 0 CGAARO CC[NH+](CC)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000095188438 370176527 /nfs/dbraw/zinc/17/65/27/370176527.db2.gz HSGIHYCFPOYUHW-ZDUSSCGKSA-N 1 0 260.381 3.425 50 0 CGAARO CC[NH+]1CCC(CC(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000095363971 370179657 /nfs/dbraw/zinc/17/96/57/370179657.db2.gz GKQLJLOQRCUFTG-KRWDZBQOSA-N 1 0 286.419 3.082 50 0 CGAARO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000095406528 370184103 /nfs/dbraw/zinc/18/41/03/370184103.db2.gz GIVMPZZZWOKYDS-STQMWFEESA-N 1 0 280.412 3.392 50 0 CGAARO CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2CSC)c1C ZINC000093760671 370155854 /nfs/dbraw/zinc/15/58/54/370155854.db2.gz DJPJPIQNQPHBFC-CQSZACIVSA-N 1 0 281.469 3.237 50 0 CGAARO C[NH+](C)Cc1ccnc(NCc2cc(F)c(F)c(F)c2)c1 ZINC000097045296 370217551 /nfs/dbraw/zinc/21/75/51/370217551.db2.gz MFUMIGDKLTVIHN-UHFFFAOYSA-N 1 0 295.308 3.173 50 0 CGAARO c1coc(C[N@H+](Cc2cccnc2)CC2CCOCC2)c1 ZINC000097080439 370222584 /nfs/dbraw/zinc/22/25/84/370222584.db2.gz WEZKTUANXRUEJV-UHFFFAOYSA-N 1 0 286.375 3.103 50 0 CGAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cncnc2)cc1C ZINC000097108658 370226504 /nfs/dbraw/zinc/22/65/04/370226504.db2.gz VEFSPNZBVRWNSA-MRXNPFEDSA-N 1 0 283.375 3.131 50 0 CGAARO C[C@@H](C[NH2+]Cc1sccc1Br)C[C@H](C)O ZINC000097378301 370241130 /nfs/dbraw/zinc/24/11/30/370241130.db2.gz GIWIMLQHMVPQJN-BDAKNGLRSA-N 1 0 292.242 3.007 50 0 CGAARO OC1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000095419130 370186531 /nfs/dbraw/zinc/18/65/31/370186531.db2.gz ODKARSBABXRQDK-PIMMBPRGSA-N 1 0 295.810 3.447 50 0 CGAARO c1ccc(CC[NH2+][C@H]2CSCCc3ccccc32)nc1 ZINC000095419162 370187193 /nfs/dbraw/zinc/18/71/93/370187193.db2.gz IDVFNDGUHPXHCP-KRWDZBQOSA-N 1 0 284.428 3.244 50 0 CGAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1ccccc1=O)CC2 ZINC000095421245 370188967 /nfs/dbraw/zinc/18/89/67/370188967.db2.gz RZJNPKMIKPDCBI-SFHVURJKSA-N 1 0 296.414 3.214 50 0 CGAARO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000095422435 370190389 /nfs/dbraw/zinc/19/03/89/370190389.db2.gz AGDOOFHIHSJOOP-GFCCVEGCSA-N 1 0 286.350 3.049 50 0 CGAARO OC[C@@]1([NH2+]Cc2cccc3[nH]ccc32)CCc2ccccc21 ZINC000095429783 370191630 /nfs/dbraw/zinc/19/16/30/370191630.db2.gz NNGQIDMCQQBBER-IBGZPJMESA-N 1 0 292.382 3.092 50 0 CGAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CCSCC1 ZINC000095448590 370194965 /nfs/dbraw/zinc/19/49/65/370194965.db2.gz NQKVOFIQKOOXNZ-CMPLNLGQSA-N 1 0 271.451 3.045 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)o1 ZINC000095448888 370195353 /nfs/dbraw/zinc/19/53/53/370195353.db2.gz XVJPKOXYAVBDCG-BDJLRTHQSA-N 1 0 277.339 3.329 50 0 CGAARO C[N@H+](CCc1ccccn1)C[C@H]1CCOc2ccccc2C1 ZINC000095497782 370199443 /nfs/dbraw/zinc/19/94/43/370199443.db2.gz RTWDLCODONEOCR-INIZCTEOSA-N 1 0 296.414 3.197 50 0 CGAARO c1cn(CCCCOc2ccccc2C[NH+]2CC=CC2)cn1 ZINC000101139172 370287081 /nfs/dbraw/zinc/28/70/81/370287081.db2.gz PGIWAPXDYFKSOT-UHFFFAOYSA-N 1 0 297.402 3.114 50 0 CGAARO CC(C)(CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000116944119 370576135 /nfs/dbraw/zinc/57/61/35/370576135.db2.gz UKKNPSFYBMISHH-UHFFFAOYSA-N 1 0 269.388 3.460 50 0 CGAARO C[C@@H](C[N@@H+]1CC[C@H](Oc2ccncc2)C1)c1ccccc1 ZINC000131926832 371140217 /nfs/dbraw/zinc/14/02/17/371140217.db2.gz CADOTINMNIQEPF-YJBOKZPZSA-N 1 0 282.387 3.338 50 0 CGAARO Brc1cncc(C[NH2+]CC2CCCC2)c1 ZINC000133615625 371266667 /nfs/dbraw/zinc/26/66/67/371266667.db2.gz JLHOAZRJDLJJQK-UHFFFAOYSA-N 1 0 269.186 3.124 50 0 CGAARO c1[nH]nc(-c2ccccc2)c1C[NH2+][C@@H]1CCCSC1 ZINC000135701573 371445790 /nfs/dbraw/zinc/44/57/90/371445790.db2.gz YAVYOSBPHDJMFZ-CQSZACIVSA-N 1 0 273.405 3.062 50 0 CGAARO CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000149773835 371529520 /nfs/dbraw/zinc/52/95/20/371529520.db2.gz NCEDUXLAFWXGSE-LBPRGKRZSA-N 1 0 297.240 3.148 50 0 CGAARO Cc1c2ccccc2sc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000237119121 189864641 /nfs/dbraw/zinc/86/46/41/189864641.db2.gz IGASULUZFPCMAT-UHFFFAOYSA-N 1 0 288.416 3.034 50 0 CGAARO CC1(C)CN(c2cc(CO)ccn2)C[C@@H]1c1ccccc1 ZINC000426537458 372163552 /nfs/dbraw/zinc/16/35/52/372163552.db2.gz JBBXIMCLLUOXPC-MRXNPFEDSA-N 1 0 282.387 3.204 50 0 CGAARO C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000162327846 372387492 /nfs/dbraw/zinc/38/74/92/372387492.db2.gz WMHWICNFRGYRJE-DZGCQCFKSA-N 1 0 284.407 3.150 50 0 CGAARO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CC[NH3+] ZINC000162037415 372367632 /nfs/dbraw/zinc/36/76/32/372367632.db2.gz VQLGJJXDJOCREW-AWEZNQCLSA-N 1 0 282.387 3.222 50 0 CGAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc2ccccc2o1 ZINC000095394530 284327683 /nfs/dbraw/zinc/32/76/83/284327683.db2.gz XGDFSBZZYXYOFL-UHFFFAOYSA-N 1 0 292.338 3.331 50 0 CGAARO CC(C)[NH+](CC[C@H](CNC=O)c1ccccc1)C(C)C ZINC000169725206 372631360 /nfs/dbraw/zinc/63/13/60/372631360.db2.gz NEBCYYUFMXAHFZ-QGZVFWFLSA-N 1 0 276.424 3.025 50 0 CGAARO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(O)c2)C1 ZINC000170606873 372641812 /nfs/dbraw/zinc/64/18/12/372641812.db2.gz DVWLMVVZBFDJHT-GUYCJALGSA-N 1 0 268.360 3.370 50 0 CGAARO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000075094597 541907437 /nfs/dbraw/zinc/90/74/37/541907437.db2.gz OEHZBBYFDTUIEI-YPMHNXCESA-N 1 0 290.798 3.399 50 0 CGAARO CN1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000090956512 541964949 /nfs/dbraw/zinc/96/49/49/541964949.db2.gz WZBRWQSXKDGZKT-UHFFFAOYSA-N 1 0 296.817 3.195 50 0 CGAARO CCC[NH+](CCC)[C@@H](C)c1nc(-c2ccc(C)nn2)no1 ZINC000091551631 541966929 /nfs/dbraw/zinc/96/69/29/541966929.db2.gz ZGVRIOOBILBHGZ-LBPRGKRZSA-N 1 0 289.383 3.018 50 0 CGAARO CCCCCn1c[n+](Cc2ccccc2Cl)cn1 ZINC000252495645 189977653 /nfs/dbraw/zinc/97/76/53/189977653.db2.gz OUYHBXZSYYVDKE-UHFFFAOYSA-N 1 0 264.780 3.063 50 0 CGAARO C[C@@H](CN1CCCCCC1)[NH2+]Cc1cccs1 ZINC000187564664 375042359 /nfs/dbraw/zinc/04/23/59/375042359.db2.gz KOYGMWGMEZNVGF-ZDUSSCGKSA-N 1 0 252.427 3.102 50 0 CGAARO C[C@@H]1CSc2ccccc2[C@H]1[NH2+]C1CCC(O)CC1 ZINC000095427042 541991113 /nfs/dbraw/zinc/99/11/13/541991113.db2.gz HTLOSJVIHACDEG-OCLKLICZSA-N 1 0 277.433 3.363 50 0 CGAARO C[C@H]1CSc2ccccc2[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000095427041 541991536 /nfs/dbraw/zinc/99/15/36/541991536.db2.gz HTLOSJVIHACDEG-PIISCBOPSA-N 1 0 277.433 3.363 50 0 CGAARO COc1cccc2c1CC[C@@H]2[NH2+]C1CCSCC1 ZINC000095969336 541992459 /nfs/dbraw/zinc/99/24/59/541992459.db2.gz ZMRUQFWRVUYHFK-AWEZNQCLSA-N 1 0 263.406 3.168 50 0 CGAARO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1cccnc1)C2 ZINC000192437987 375749007 /nfs/dbraw/zinc/74/90/07/375749007.db2.gz RSFDQLCZLKBDFR-CZUORRHYSA-N 1 0 282.387 3.298 50 0 CGAARO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccnc(N)c1 ZINC000193349869 375865845 /nfs/dbraw/zinc/86/58/45/375865845.db2.gz CIBPRFHGXLLEAZ-CZUORRHYSA-N 1 0 267.376 3.042 50 0 CGAARO c1ccc2c(c1)oc1c2cccc1C[NH+]1CCOCC1 ZINC000215133308 376147390 /nfs/dbraw/zinc/14/73/90/376147390.db2.gz STEYHQPGSNBTGY-UHFFFAOYSA-N 1 0 267.328 3.418 50 0 CGAARO COC[C@H]1CC[N@H+](Cc2cccc(Cl)c2Cl)C1 ZINC000215345419 376147739 /nfs/dbraw/zinc/14/77/39/376147739.db2.gz TUSBWMJVERWICH-JTQLQIEISA-N 1 0 274.191 3.462 50 0 CGAARO CCc1nnc(CN(CC)Cc2cccc3cc[nH]c32)o1 ZINC000216141996 376159449 /nfs/dbraw/zinc/15/94/49/376159449.db2.gz XONJIAWDHNZLJL-UHFFFAOYSA-N 1 0 284.363 3.135 50 0 CGAARO CS[C@@H](C)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000216238860 376161507 /nfs/dbraw/zinc/16/15/07/376161507.db2.gz CZVCPJUZPBVKEX-LBPRGKRZSA-N 1 0 250.411 3.188 50 0 CGAARO C[C@@H]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000221718047 376219175 /nfs/dbraw/zinc/21/91/75/376219175.db2.gz PAXPEQXTVOMQTL-IIAWOOMASA-N 1 0 274.408 3.114 50 0 CGAARO Fc1cnccc1NCc1cccc(-n2cccn2)c1 ZINC000225406252 376307929 /nfs/dbraw/zinc/30/79/29/376307929.db2.gz ANSVIKBLRMMJPU-UHFFFAOYSA-N 1 0 268.295 3.019 50 0 CGAARO C=Cn1cc(C[NH2+][C@@](C)(CC)c2ccccc2)cn1 ZINC000225582868 376316574 /nfs/dbraw/zinc/31/65/74/376316574.db2.gz CYFMMRZXFKFCDE-INIZCTEOSA-N 1 0 255.365 3.399 50 0 CGAARO CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000225801535 376326383 /nfs/dbraw/zinc/32/63/83/376326383.db2.gz ZGTDISUYGVJTQR-UKRRQHHQSA-N 1 0 290.407 3.144 50 0 CGAARO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)[C@H]1CO ZINC000225352869 376304164 /nfs/dbraw/zinc/30/41/64/376304164.db2.gz LYPNWWYKYASGDH-YGRLFVJLSA-N 1 0 271.763 3.072 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000226995847 376377654 /nfs/dbraw/zinc/37/76/54/376377654.db2.gz ADKLAILQTBHSBI-ZWKOTPCHSA-N 1 0 272.436 3.431 50 0 CGAARO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000237441336 376743127 /nfs/dbraw/zinc/74/31/27/376743127.db2.gz IAPLBCUZDIJCNF-GFCCVEGCSA-N 1 0 299.418 3.293 50 0 CGAARO CC[C@@H]([NH2+]CCSC(C)C)c1c(C)nn(C)c1C ZINC000241213422 376776977 /nfs/dbraw/zinc/77/69/77/376776977.db2.gz KOQQWPDGOGYLQY-CYBMUJFWSA-N 1 0 269.458 3.219 50 0 CGAARO c1nc2ccccc2n1CC[N@@H+]1CCC2(CCCC2)C1 ZINC000252478837 377625646 /nfs/dbraw/zinc/62/56/46/377625646.db2.gz AVRZQUPUMGRYKG-UHFFFAOYSA-N 1 0 269.392 3.302 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC1CCCC1)c1cnccn1 ZINC000252486565 377628423 /nfs/dbraw/zinc/62/84/23/377628423.db2.gz LMVASRNFRZVCKW-YSVLISHTSA-N 1 0 289.423 3.398 50 0 CGAARO CCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccn1 ZINC000252487314 377630461 /nfs/dbraw/zinc/63/04/61/377630461.db2.gz VKUNOHLYEAHMJT-ZOBUZTSGSA-N 1 0 273.424 3.139 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nccnc2C)C1 ZINC000252490106 377631141 /nfs/dbraw/zinc/63/11/41/377631141.db2.gz KJEWUVXLQZGSCP-JHJVBQTASA-N 1 0 265.426 3.110 50 0 CGAARO CC(C)[C@H](C[NH2+]Cc1ccsc1)c1ccnn1C ZINC000252492541 377632424 /nfs/dbraw/zinc/63/24/24/377632424.db2.gz MOVZXPUXPSNKOA-ZDUSSCGKSA-N 1 0 263.410 3.011 50 0 CGAARO Fc1cccc([C@H]2CC[C@H]([NH2+]CC3=CCCOC3)C2)c1 ZINC000253427513 377693122 /nfs/dbraw/zinc/69/31/22/377693122.db2.gz BZALKFHLWAVZTN-RDJZCZTQSA-N 1 0 275.367 3.398 50 0 CGAARO CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@H]1C ZINC000253369762 377686358 /nfs/dbraw/zinc/68/63/58/377686358.db2.gz HWIZVTDPTLYHPI-UONOGXRCSA-N 1 0 284.407 3.103 50 0 CGAARO CCS[C@H]1CCC[C@@H]1[NH2+]CCc1csc(C)n1 ZINC000348479510 378964729 /nfs/dbraw/zinc/96/47/29/378964729.db2.gz OUYAVRMXXGILGK-STQMWFEESA-N 1 0 270.467 3.258 50 0 CGAARO CC(C)(C)[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1 ZINC000000111481 169539861 /nfs/dbraw/zinc/53/98/61/169539861.db2.gz HKQWFFZFXVQHBY-HNNXBMFYSA-N 1 0 275.392 3.354 50 0 CGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000221993216 542288671 /nfs/dbraw/zinc/28/86/71/542288671.db2.gz TVRLPQZGCRSWMH-VNHYZAJKSA-N 1 0 279.453 3.061 50 0 CGAARO COc1cc(C[NH2+]C2CCCCCC2)cc2c1OCO2 ZINC000004030941 184529595 /nfs/dbraw/zinc/52/95/95/184529595.db2.gz YWZICMTYUSLXOT-UHFFFAOYSA-N 1 0 277.364 3.236 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)o1 ZINC000090802462 184617498 /nfs/dbraw/zinc/61/74/98/184617498.db2.gz WJYVHESVGMNIEM-KGLIPLIRSA-N 1 0 285.391 3.167 50 0 CGAARO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CO)c2ccsc2S1 ZINC000300410064 542412239 /nfs/dbraw/zinc/41/22/39/542412239.db2.gz DLNQRWWFBOLPLX-DJIHRAIXSA-N 1 0 283.462 3.424 50 0 CGAARO Cc1ccc(CCCCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000237382036 256851116 /nfs/dbraw/zinc/85/11/16/256851116.db2.gz DDAIMYNJNFXIFV-NVXWUHKLSA-N 1 0 288.435 3.046 50 0 CGAARO c1ccc(C[NH2+]CCc2ccc3c(c2)COC3)cc1 ZINC000521394736 256855142 /nfs/dbraw/zinc/85/51/42/256855142.db2.gz UZSQHXUWMHKDBU-UHFFFAOYSA-N 1 0 253.345 3.049 50 0 CGAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CCSCC1 ZINC000095448589 184989674 /nfs/dbraw/zinc/98/96/74/184989674.db2.gz NQKVOFIQKOOXNZ-PWSUYJOCSA-N 1 0 271.451 3.045 50 0 CGAARO Cc1ccc(Br)cc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000190698628 130135317 /nfs/dbraw/zinc/13/53/17/130135317.db2.gz RMQMBCKVNLHCKF-VXGBXAGGSA-N 1 0 298.224 3.272 50 0 CGAARO O[C@@H](C[NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000032180092 391967046 /nfs/dbraw/zinc/96/70/46/391967046.db2.gz TUCOEHBOAJVRMQ-AWEZNQCLSA-N 1 0 298.224 3.405 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000075107991 392214984 /nfs/dbraw/zinc/21/49/84/392214984.db2.gz URWXISUKMNHDLQ-CYBMUJFWSA-N 1 0 260.381 3.054 50 0 CGAARO Cc1nc(CC[NH2+]Cc2cc(F)c(F)c(F)c2)cs1 ZINC000096403754 392249257 /nfs/dbraw/zinc/24/92/57/392249257.db2.gz PIQYPFJVQZPFDE-UHFFFAOYSA-N 1 0 286.322 3.201 50 0 CGAARO CC(C)[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)cc1F ZINC000096479336 392255877 /nfs/dbraw/zinc/25/58/77/392255877.db2.gz YJVUEVKSSSKFDM-MRXNPFEDSA-N 1 0 282.378 3.346 50 0 CGAARO C[C@@H]1CN(Cc2ccccn2)C[C@@H](c2ccsc2)O1 ZINC000246674591 131095847 /nfs/dbraw/zinc/09/58/47/131095847.db2.gz YPDNFCXXDJPFMY-DOMZBBRYSA-N 1 0 274.389 3.105 50 0 CGAARO [NH3+][C@H]1CCN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000215137420 392987240 /nfs/dbraw/zinc/98/72/40/392987240.db2.gz XSIZVYTWMKGALP-LBPRGKRZSA-N 1 0 280.437 3.237 50 0 CGAARO COc1cccc2c1OCCC[N@H+](CC[C@@H](C)SC)C2 ZINC000216535792 392990693 /nfs/dbraw/zinc/99/06/93/392990693.db2.gz MSVXQTKDJQFAON-CYBMUJFWSA-N 1 0 295.448 3.421 50 0 CGAARO CCC[C@@]1(CO)CC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000585083916 542768998 /nfs/dbraw/zinc/76/89/98/542768998.db2.gz BYCJVCDPIKNPRJ-MRXNPFEDSA-N 1 0 297.826 3.203 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2s1)C[C@H]1CCC(=O)O1 ZINC000670449510 543155253 /nfs/dbraw/zinc/15/52/53/543155253.db2.gz DYIHZNYARFWDGS-GFCCVEGCSA-N 1 0 275.373 3.039 50 0 CGAARO c1ccc2c(c1)[nH]c1c2C[N@H+]([C@@H]2CCSC2)CC1 ZINC000670445183 543155332 /nfs/dbraw/zinc/15/53/32/543155332.db2.gz VXRZDIUWVCMCOY-LLVKDONJSA-N 1 0 258.390 3.032 50 0 CGAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC2CC[NH+]1CC2 ZINC000002145466 296536409 /nfs/dbraw/zinc/53/64/09/296536409.db2.gz JNZMANQLHCNXTA-IBGZPJMESA-N 1 0 293.410 3.407 50 0 CGAARO CC(C)(C)OC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000040448571 397610920 /nfs/dbraw/zinc/61/09/20/397610920.db2.gz UIEGYIFDVIDYHB-UHFFFAOYSA-N 1 0 288.391 3.063 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000093236638 397642064 /nfs/dbraw/zinc/64/20/64/397642064.db2.gz UKBIRLQQBAEKKG-NPCAHTBFSA-N 1 0 262.397 3.016 50 0 CGAARO CC[C@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C ZINC000239165068 397668797 /nfs/dbraw/zinc/66/87/97/397668797.db2.gz NKBPLOQRMUVJTN-KEYYUXOJSA-N 1 0 275.392 3.352 50 0 CGAARO C[NH+](C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004006723 289165091 /nfs/dbraw/zinc/16/50/91/289165091.db2.gz AAPUMBJRCFDXLG-UHFFFAOYSA-N 1 0 293.451 3.478 50 0 CGAARO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000093003755 165319679 /nfs/dbraw/zinc/31/96/79/165319679.db2.gz PRULGMONHBNQTL-MRXNPFEDSA-N 1 0 269.392 3.190 50 0 CGAARO Fc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000002838974 169836473 /nfs/dbraw/zinc/83/64/73/169836473.db2.gz HCMGYOIOGSCWFX-UHFFFAOYSA-N 1 0 251.345 3.471 50 0 CGAARO Cc1cc(OCCOCC[NH2+]C(C)C)cc(C)c1Cl ZINC000002975087 169846347 /nfs/dbraw/zinc/84/63/47/169846347.db2.gz OMLVVIWJFYCDRC-UHFFFAOYSA-N 1 0 285.815 3.350 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000003338994 169880859 /nfs/dbraw/zinc/88/08/59/169880859.db2.gz NZVHWGLGSMATGM-UONOGXRCSA-N 1 0 290.407 3.192 50 0 CGAARO Cc1ccc(C)c(OCC[NH2+]C[C@@H]2CCCO2)c1Cl ZINC000004842250 170028315 /nfs/dbraw/zinc/02/83/15/170028315.db2.gz DTHGFDJLDNHOMZ-ZDUSSCGKSA-N 1 0 283.799 3.104 50 0 CGAARO CC(=O)c1ccccc1OCCC[N@H+]1CCC[C@H](C)C1 ZINC000004842210 170028521 /nfs/dbraw/zinc/02/85/21/170028521.db2.gz YOAIVRZPTNNSRI-AWEZNQCLSA-N 1 0 275.392 3.390 50 0 CGAARO C[NH2+]CCCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942976 170043544 /nfs/dbraw/zinc/04/35/44/170043544.db2.gz XDUBSWOVTNZHSC-UHFFFAOYSA-N 1 0 296.773 3.438 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000004988346 170049307 /nfs/dbraw/zinc/04/93/07/170049307.db2.gz WCAJFGFVCQLWJF-CQSZACIVSA-N 1 0 263.381 3.468 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000004986623 170049561 /nfs/dbraw/zinc/04/95/61/170049561.db2.gz UTOJXLPIFGHWPZ-KRWDZBQOSA-N 1 0 279.383 3.215 50 0 CGAARO Cc1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000005620256 170121222 /nfs/dbraw/zinc/12/12/22/170121222.db2.gz XWYIJVJOGXCWTK-UHFFFAOYSA-N 1 0 269.344 3.056 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000005936993 170158384 /nfs/dbraw/zinc/15/83/84/170158384.db2.gz YUDQAURYDLVYOF-SFHVURJKSA-N 1 0 296.414 3.336 50 0 CGAARO COCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000006746064 170238852 /nfs/dbraw/zinc/23/88/52/170238852.db2.gz IBTDZLQECHVGHP-UHFFFAOYSA-N 1 0 285.387 3.310 50 0 CGAARO O=C(NCCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000007071376 170266922 /nfs/dbraw/zinc/26/69/22/170266922.db2.gz SCWBEULRCGLBPQ-UHFFFAOYSA-N 1 0 282.387 3.056 50 0 CGAARO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000007486563 170286861 /nfs/dbraw/zinc/28/68/61/170286861.db2.gz CFEBGSHCAKLPFV-GFCCVEGCSA-N 1 0 280.799 3.461 50 0 CGAARO C[C@H](C[N@H+](C)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000008553369 170339879 /nfs/dbraw/zinc/33/98/79/170339879.db2.gz ZKISNMZYDPWJGZ-CRAIPNDOSA-N 1 0 269.388 3.456 50 0 CGAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000009513718 170380014 /nfs/dbraw/zinc/38/00/14/170380014.db2.gz RHFQWGARMFIITD-BETUJISGSA-N 1 0 264.369 3.329 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2)cc1OC ZINC000012383602 170483041 /nfs/dbraw/zinc/48/30/41/170483041.db2.gz UJBAPIYLPWNPGG-OAHLLOKOSA-N 1 0 299.414 3.467 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cn1 ZINC000020186384 171049903 /nfs/dbraw/zinc/04/99/03/171049903.db2.gz FCIJMSYKHYVRNM-UHFFFAOYSA-N 1 0 262.740 3.033 50 0 CGAARO COc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221544 171083357 /nfs/dbraw/zinc/08/33/57/171083357.db2.gz HKPSZQQLWLNQBO-LLVKDONJSA-N 1 0 269.772 3.260 50 0 CGAARO COc1cccc([C@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268112 171124442 /nfs/dbraw/zinc/12/44/42/171124442.db2.gz YIXSNZPQFKZIPA-HNNXBMFYSA-N 1 0 266.344 3.267 50 0 CGAARO CC[NH+]1CCN(CCOc2cc(C)ccc2C(C)C)CC1 ZINC000020323707 171150361 /nfs/dbraw/zinc/15/03/61/171150361.db2.gz POMRPBPPXSJLKO-UHFFFAOYSA-N 1 0 290.451 3.135 50 0 CGAARO [NH3+][C@H](c1ccccc1)c1ccccc1Br ZINC000020391314 171180564 /nfs/dbraw/zinc/18/05/64/171180564.db2.gz SPVWGVSMLZCEQX-CYBMUJFWSA-N 1 0 262.150 3.497 50 0 CGAARO Cc1ccc(C)c(OCCCN2CCOCC2)c1Cl ZINC000020639375 171268841 /nfs/dbraw/zinc/26/88/41/171268841.db2.gz SZFSXYFJAHPYDH-UHFFFAOYSA-N 1 0 283.799 3.058 50 0 CGAARO OCCC[C@H]1CCC[N@H+](CCCc2cccs2)C1 ZINC000020869372 171277503 /nfs/dbraw/zinc/27/75/03/171277503.db2.gz HFDSTIRPHBAGDY-CQSZACIVSA-N 1 0 267.438 3.165 50 0 CGAARO COc1ccc(Cl)c2sc(NCCC[NH+](C)C)nc21 ZINC000026424120 171483619 /nfs/dbraw/zinc/48/36/19/171483619.db2.gz CXPXGELTFKTOFH-UHFFFAOYSA-N 1 0 299.827 3.322 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC000039975665 174180290 /nfs/dbraw/zinc/18/02/90/174180290.db2.gz DVRWSKFOXYXXDQ-QGZVFWFLSA-N 1 0 288.435 3.376 50 0 CGAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CC(C)C ZINC000039995696 174181986 /nfs/dbraw/zinc/18/19/86/174181986.db2.gz YORDCQCUPHKQDM-UHFFFAOYSA-N 1 0 276.424 3.191 50 0 CGAARO C[N@H+](Cc1nc(-c2ccco2)no1)C1CCCCC1 ZINC000044069596 175140565 /nfs/dbraw/zinc/14/05/65/175140565.db2.gz XAAGITGTKWDZOG-UHFFFAOYSA-N 1 0 261.325 3.094 50 0 CGAARO c1ccc(C[C@@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000044714464 175236506 /nfs/dbraw/zinc/23/65/06/175236506.db2.gz OSSPKOJIZYMYGK-HNNXBMFYSA-N 1 0 283.375 3.154 50 0 CGAARO Cc1ccsc1C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000044917839 175276843 /nfs/dbraw/zinc/27/68/43/175276843.db2.gz PLBBGRTUJSWNMB-CYBMUJFWSA-N 1 0 283.343 3.158 50 0 CGAARO Cc1ccccc1CNC1=[NH+]CCN[C@]12CCC[C@H](C)C2 ZINC000046153149 175393558 /nfs/dbraw/zinc/39/35/58/175393558.db2.gz MUFPWKRBROLHAW-KSSFIOAISA-N 1 0 285.435 3.035 50 0 biogenic CGAARO CN(C(=O)CCCC1CCCCC1)C1CC[NH+](C)CC1 ZINC000046468460 175397057 /nfs/dbraw/zinc/39/70/57/175397057.db2.gz KRKDGONEGSGKDR-UHFFFAOYSA-N 1 0 280.456 3.290 50 0 CGAARO CCC[C@@H](C)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055270675 175574722 /nfs/dbraw/zinc/57/47/22/175574722.db2.gz DCRBMROQQGYRML-CYBMUJFWSA-N 1 0 276.428 3.229 50 0 CGAARO Cc1ccc([C@H](CNC(=O)C2CCCC2)[NH+]2CCCC2)o1 ZINC000069413913 175827107 /nfs/dbraw/zinc/82/71/07/175827107.db2.gz PUDFKVJSRDRKON-HNNXBMFYSA-N 1 0 290.407 3.031 50 0 CGAARO C[C@@H](O)c1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000071825321 176271927 /nfs/dbraw/zinc/27/19/27/176271927.db2.gz LXKWXAPQVQWHFA-GFCCVEGCSA-N 1 0 287.407 3.050 50 0 CGAARO COc1c(C)cc(C[NH2+]Cc2ccnc(N(C)C)c2)cc1C ZINC000071825207 176272055 /nfs/dbraw/zinc/27/20/55/176272055.db2.gz LBQZXLDOJGVIOP-UHFFFAOYSA-N 1 0 299.418 3.063 50 0 CGAARO c1coc(C[NH+](CCCc2cn[nH]c2)Cc2ccco2)c1 ZINC000071921538 176300866 /nfs/dbraw/zinc/30/08/66/176300866.db2.gz UKBRMWBWYSBUBE-UHFFFAOYSA-N 1 0 285.347 3.231 50 0 CGAARO CC[C@@H]1CN(Cc2ccc3ccn(C)c3c2)CC[N@@H+]1C(C)C ZINC000072145786 176325027 /nfs/dbraw/zinc/32/50/27/176325027.db2.gz PDSJCAPLQMFOCS-GOSISDBHSA-N 1 0 299.462 3.483 50 0 CGAARO c1ccc(COC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000072165054 176331118 /nfs/dbraw/zinc/33/11/18/176331118.db2.gz FXQZNETXUAVPMF-UHFFFAOYSA-N 1 0 282.387 3.263 50 0 CGAARO CCNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000072289608 176361475 /nfs/dbraw/zinc/36/14/75/176361475.db2.gz ITPFJMHKZSRBNH-GOEBONIOSA-N 1 0 291.439 3.071 50 0 CGAARO C[N@H+](Cc1ccc(Cl)c(Cl)c1)CC(C)(C)O ZINC000078489577 177346314 /nfs/dbraw/zinc/34/63/14/177346314.db2.gz WGLKQYGRMGSXJQ-UHFFFAOYSA-N 1 0 262.180 3.196 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(OC)c1 ZINC000078497882 177347623 /nfs/dbraw/zinc/34/76/23/177347623.db2.gz KPJURZIZABKNSO-MRXNPFEDSA-N 1 0 299.370 3.187 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000078553974 177353822 /nfs/dbraw/zinc/35/38/22/177353822.db2.gz DLINHJYYCIOVJQ-UHFFFAOYSA-N 1 0 261.752 3.122 50 0 CGAARO CC(C)[NH2+]Cc1cc(-c2ccc(Cl)c(F)c2)n[nH]1 ZINC000725264706 544113765 /nfs/dbraw/zinc/11/37/65/544113765.db2.gz LIKULFUOJRIUCQ-UHFFFAOYSA-N 1 0 267.735 3.367 50 0 CGAARO Cc1ccc(O)c(CNc2[nH+]ccc(C)c2C2CC2)n1 ZINC000656779922 419216838 /nfs/dbraw/zinc/21/68/38/419216838.db2.gz XJZLYXYRAWARGY-UHFFFAOYSA-N 1 0 269.348 3.289 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757565 260127944 /nfs/dbraw/zinc/12/79/44/260127944.db2.gz LAEGLZHANONKKC-PXAZEXFGSA-N 1 0 298.361 3.430 50 0 CGAARO Cc1ccc([C@@H](C)N(C)CC(=O)Nc2nccs2)s1 ZINC000048580523 260200896 /nfs/dbraw/zinc/20/08/96/260200896.db2.gz IMMAJNKFEGLTHB-SNVBAGLBSA-N 1 0 295.433 3.145 50 0 CGAARO C[C@@H](C[NH2+]Cc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000191155587 274224800 /nfs/dbraw/zinc/22/48/00/274224800.db2.gz FQXQJMOHKQHZNM-NSHDSACASA-N 1 0 295.308 3.389 50 0 CGAARO Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000002663403 274751730 /nfs/dbraw/zinc/75/17/30/274751730.db2.gz AMORGMKKSNTPCK-QGZVFWFLSA-N 1 0 297.402 3.419 50 0 CGAARO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1 ZINC000097505493 275063577 /nfs/dbraw/zinc/06/35/77/275063577.db2.gz HHQBXPNCILIPHR-OAHLLOKOSA-N 1 0 255.365 3.179 50 0 CGAARO c1ccc2c(c1)c1ccccc1n2C[NH+]1CCOCC1 ZINC000019229437 275071556 /nfs/dbraw/zinc/07/15/56/275071556.db2.gz PFEKOKFOEJWYTB-UHFFFAOYSA-N 1 0 266.344 3.084 50 0 CGAARO Brc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010494826 275368884 /nfs/dbraw/zinc/36/88/84/275368884.db2.gz ILQFFXGIIWWTNH-UHFFFAOYSA-N 1 0 254.171 3.435 50 0 CGAARO CC(C)[C@@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000032907376 275670157 /nfs/dbraw/zinc/67/01/57/275670157.db2.gz FRWGOVZSQZPDCI-OAHLLOKOSA-N 1 0 293.386 3.068 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000097228468 276399077 /nfs/dbraw/zinc/39/90/77/276399077.db2.gz IXQHBWYEJKCFHZ-OUCADQQQSA-N 1 0 279.453 3.061 50 0 CGAARO COC[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000019904669 277245162 /nfs/dbraw/zinc/24/51/62/277245162.db2.gz KPLLOIJIJGFZDU-NXEZZACHSA-N 1 0 272.186 3.135 50 0 CGAARO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCSCC2)CCO1 ZINC000336593496 277262368 /nfs/dbraw/zinc/26/23/68/277262368.db2.gz ZWEIHFQXCCNZTD-CHWSQXEVSA-N 1 0 257.443 3.065 50 0 CGAARO COc1c[nH]c(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1=O ZINC000244816856 278072135 /nfs/dbraw/zinc/07/21/35/278072135.db2.gz SPRZDUFCRIIADA-MRXNPFEDSA-N 1 0 298.386 3.305 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1C ZINC000002953151 280922469 /nfs/dbraw/zinc/92/24/69/280922469.db2.gz CUNIWPODXJQILN-UHFFFAOYSA-N 1 0 291.435 3.431 50 0 CGAARO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCCSC2)cc1F ZINC000097084684 294747673 /nfs/dbraw/zinc/74/76/73/294747673.db2.gz WFIOYOKVOVTRIX-UGFHNGPFSA-N 1 0 299.386 3.280 50 0 CGAARO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000000402848 295273177 /nfs/dbraw/zinc/27/31/77/295273177.db2.gz MKXZASYAUGDDCJ-CGTJXYLNSA-N 1 0 271.404 3.383 50 0 world CGAARO Cn1nccc1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000097371256 329527293 /nfs/dbraw/zinc/52/72/93/329527293.db2.gz BSDFQFUBWFRLSO-HZPDHXFCSA-N 1 0 269.392 3.092 50 0 CGAARO CC1(C)C[C@H]([NH2+]Cc2ccncc2Cl)C(C)(C)O1 ZINC000132461478 329527936 /nfs/dbraw/zinc/52/79/36/329527936.db2.gz COOJKLQBOZYZSO-LBPRGKRZSA-N 1 0 268.788 3.171 50 0 CGAARO CSCc1cccc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000195547643 329528522 /nfs/dbraw/zinc/52/85/22/329528522.db2.gz PYTPPSMPYKMBNB-UHFFFAOYSA-N 1 0 292.448 3.268 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000005578626 534085828 /nfs/dbraw/zinc/08/58/28/534085828.db2.gz ZGBITCLDOGNTLC-FUHWJXTLSA-N 1 0 299.414 3.394 50 0 CGAARO FC(F)(F)c1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000006257631 534419381 /nfs/dbraw/zinc/41/93/81/534419381.db2.gz RECDJOPBDRFMMS-UHFFFAOYSA-N 1 0 266.266 3.390 50 0 CGAARO C[N@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000052660123 523436204 /nfs/dbraw/zinc/43/62/04/523436204.db2.gz QHCHTSMTSRATNW-UHFFFAOYSA-N 1 0 267.332 3.097 50 0 CGAARO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCSC(C)(C)C ZINC000369208423 534779157 /nfs/dbraw/zinc/77/91/57/534779157.db2.gz XUERHMSWYKTSJN-AWEZNQCLSA-N 1 0 281.469 3.188 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067981966 526120175 /nfs/dbraw/zinc/12/01/75/526120175.db2.gz HITLTEJBUJYCGF-HNNXBMFYSA-N 1 0 292.386 3.460 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)Cc1cccc(O)c1Cl ZINC000952974553 616083932 /nfs/dbraw/zinc/08/39/32/616083932.db2.gz IXWQIQXOVLOFEW-UHFFFAOYSA-N 1 0 296.842 3.352 50 0 CGAARO Clc1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000002499354 618171235 /nfs/dbraw/zinc/17/12/35/618171235.db2.gz JPMNFGDAHMJBLO-UHFFFAOYSA-N 1 0 283.799 3.221 50 0 CGAARO COc1cccc(CC[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000000212458 618748899 /nfs/dbraw/zinc/74/88/99/618748899.db2.gz KXCWAVCUPICGCM-GOSISDBHSA-N 1 0 281.399 3.385 50 0 CGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000000199665 619162548 /nfs/dbraw/zinc/16/25/48/619162548.db2.gz ZCXSIECAMXSXOC-AWEZNQCLSA-N 1 0 294.464 3.137 50 0 CGAARO Cc1cs/c(=[N+](/C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000004948685 619225005 /nfs/dbraw/zinc/22/50/05/619225005.db2.gz FRQZPYDGSFQIDU-PEZBUJJGSA-N 1 0 264.414 3.020 50 0 CGAARO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000173529030 623329003 /nfs/dbraw/zinc/32/90/03/623329003.db2.gz JIIOFICGUGBRJZ-AWEZNQCLSA-N 1 0 286.419 3.047 50 0 CGAARO CCC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@@H](O)c1ccccc1 ZINC000850467576 624202848 /nfs/dbraw/zinc/20/28/48/624202848.db2.gz XFFUZRILMOBDEI-ULQDDVLXSA-N 1 0 289.419 3.190 50 0 CGAARO O=C(c1ccc(Cl)o1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133447 624683287 /nfs/dbraw/zinc/68/32/87/624683287.db2.gz MNHVTNVJSKUXNN-GFCCVEGCSA-N 1 0 296.798 3.024 50 0 CGAARO C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000863982432 629721549 /nfs/dbraw/zinc/72/15/49/629721549.db2.gz KEUNNBAZTSBHPZ-RDJZCZTQSA-N 1 0 299.418 3.032 50 0 CGAARO Cc1ncc(C[NH2+][C@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952969379 636776256 /nfs/dbraw/zinc/77/62/56/636776256.db2.gz DYSQEWXYTVAVNB-MRXNPFEDSA-N 1 0 284.407 3.447 50 0 CGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cncc(F)c1 ZINC000952975400 636776274 /nfs/dbraw/zinc/77/62/74/636776274.db2.gz ZFMGJVRDILRMAZ-UHFFFAOYSA-N 1 0 299.349 3.069 50 0 CGAARO Cc1ccc([C@H](NC2CC[NH2+]CC2)c2cccnc2)cc1C ZINC000952989309 636777255 /nfs/dbraw/zinc/77/72/55/636777255.db2.gz PXMNIMSVCMRUQZ-IBGZPJMESA-N 1 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OGYCKMPGSKLKIP-SMDDNHRTSA-N 1 0 265.426 3.247 50 0 CGAARO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](n3cc(C4CC4)nn3)C2)c1 ZINC000585133291 799678541 /nfs/dbraw/zinc/67/85/41/799678541.db2.gz DQBDYWBERBUCTL-YOEHRIQHSA-N 1 0 296.418 3.472 50 0 CGAARO Cc1ccc(NCCC[NH2+][C@@H](C)C2CCCC2)nc1 ZINC000820735750 800454981 /nfs/dbraw/zinc/45/49/81/800454981.db2.gz KXVRHQABXOXPBJ-AWEZNQCLSA-N 1 0 261.413 3.360 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)c1nnc(Cc2cccs2)[nH]1 ZINC000822182763 800459809 /nfs/dbraw/zinc/45/98/09/800459809.db2.gz RHVRTIPEZXEMMT-LBPRGKRZSA-N 1 0 290.436 3.046 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)nc(C)n2C ZINC000824250100 800470069 /nfs/dbraw/zinc/47/00/69/800470069.db2.gz UHMHGJPCQNDNJW-GFCCVEGCSA-N 1 0 289.423 3.175 50 0 CGAARO COc1ccc(C[N@H+](C)CC[C@H]2CC2(F)F)cc1OC ZINC000824603767 800471409 /nfs/dbraw/zinc/47/14/09/800471409.db2.gz GGPOLWWCVKYLSK-LBPRGKRZSA-N 1 0 285.334 3.181 50 0 CGAARO O=C1CC[C@H](CC[NH2+]C2CCC3(CCCCC3)CC2)N1 ZINC000952845505 800684308 /nfs/dbraw/zinc/68/43/08/800684308.db2.gz JJYWTLYMAJQEHI-OAHLLOKOSA-N 1 0 278.440 3.138 50 0 CGAARO O=C1CC[C@@H](CC[NH2+]C2CCC3(CCCCC3)CC2)N1 ZINC000952845504 800684873 /nfs/dbraw/zinc/68/48/73/800684873.db2.gz JJYWTLYMAJQEHI-HNNXBMFYSA-N 1 0 278.440 3.138 50 0 CGAARO Cc1ccc([C@@H](C)CC[NH2+]Cc2cccc(CO)c2)o1 ZINC000952872326 800685635 /nfs/dbraw/zinc/68/56/35/800685635.db2.gz OVJOVUXANDMJPH-ZDUSSCGKSA-N 1 0 273.376 3.364 50 0 CGAARO CCC[N@@H+]1CC[C@@H](Nc2cc(C)c3ccc(OC)cc3n2)C1 ZINC001506401407 937989666 /nfs/dbraw/zinc/98/96/66/937989666.db2.gz CWUXRLPWONNLCH-CQSZACIVSA-N 1 0 299.418 3.448 50 0 CGAARO Cn1nccc1C[N@H+](Cc1ccsc1)C1CCCC1 ZINC001506402471 937989715 /nfs/dbraw/zinc/98/97/15/937989715.db2.gz YOCDHHJXVXRZLL-UHFFFAOYSA-N 1 0 275.421 3.426 50 0 CGAARO Cc1cccc(CC[N@@H+](C)Cc2ccc3nsnc3c2)n1 ZINC001506404844 937989734 /nfs/dbraw/zinc/98/97/34/937989734.db2.gz VRQQBCLDTRIHRS-UHFFFAOYSA-N 1 0 298.415 3.069 50 0 CGAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(F)cc1Cl ZINC001506409931 937989780 /nfs/dbraw/zinc/98/97/80/937989780.db2.gz AUOAUOGHJHIAET-ZDUSSCGKSA-N 1 0 281.762 3.244 50 0 CGAARO Cc1ccc(CC2([NH2+][C@H](C)CN(C)C(C)C)CC2)cc1 ZINC001506410021 937989839 /nfs/dbraw/zinc/98/98/39/937989839.db2.gz QPUFPUDZSKJFIA-MRXNPFEDSA-N 1 0 274.452 3.388 50 0 CGAARO CCCO[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC001506421064 937990171 /nfs/dbraw/zinc/99/01/71/937990171.db2.gz TXBRACWDKRTISG-SFHVURJKSA-N 1 0 299.418 3.263 50 0 CGAARO Cc1cc(N(C/C=C/c2ccccc2)C2CC2)nc(N)[nH+]1 ZINC001529125046 938071026 /nfs/dbraw/zinc/07/10/26/938071026.db2.gz GMQRLNOYZGVQJJ-VMPITWQZSA-N 1 0 280.375 3.049 50 0 CGAARO NC(=O)CC1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000098016211 230391208 /nfs/dbraw/zinc/39/12/08/230391208.db2.gz VKSQXCMVCKEAPE-KRWDZBQOSA-N 1 0 286.419 3.042 50 0 CGAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000096478530 230380032 /nfs/dbraw/zinc/38/00/32/230380032.db2.gz KYXIBOYOMUWZGD-VXGBXAGGSA-N 1 0 289.398 3.458 50 0 CGAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000096478532 230380178 /nfs/dbraw/zinc/38/01/78/230380178.db2.gz KYXIBOYOMUWZGD-NWDGAFQWSA-N 1 0 289.398 3.458 50 0 CGAARO Cc1cccc([C@H](C)C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000096478279 230380194 /nfs/dbraw/zinc/38/01/94/230380194.db2.gz IQQFEZQONQVJGQ-CQSZACIVSA-N 1 0 296.405 3.418 50 0 CGAARO CC(C)c1nnc(C[NH2+][C@@H]2CCCC23CCOCC3)s1 ZINC000337390387 214047713 /nfs/dbraw/zinc/04/77/13/214047713.db2.gz NGVAVTDEAIHIJO-GFCCVEGCSA-N 1 0 295.452 3.100 50 0 CGAARO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967529 185046782 /nfs/dbraw/zinc/04/67/82/185046782.db2.gz ZIPLSLTWDCFCKV-PWSUYJOCSA-N 1 0 290.329 3.184 50 0 CGAARO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969288 185047960 /nfs/dbraw/zinc/04/79/60/185047960.db2.gz JXVOGVSWFKZSQG-ZFWWWQNUSA-N 1 0 289.375 3.279 50 0 CGAARO C[C@@H]([NH2+]CCCc1nc2ccccc2o1)C1CCOCC1 ZINC000095985373 185055358 /nfs/dbraw/zinc/05/53/58/185055358.db2.gz ZPNFUMUNRQXTHN-CYBMUJFWSA-N 1 0 288.391 3.165 50 0 CGAARO CC(C)[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccn1 ZINC000095987927 185057124 /nfs/dbraw/zinc/05/71/24/185057124.db2.gz LEIIREHYWVUGNE-HNKHHVNMSA-N 1 0 274.408 3.182 50 0 CGAARO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cccn2)o1 ZINC000124754808 187152272 /nfs/dbraw/zinc/15/22/72/187152272.db2.gz CTWKIFORNFHDOC-AWEZNQCLSA-N 1 0 259.353 3.012 50 0 CGAARO Cc1cc(-c2cccc([C@@H](C)[NH+](C)C)c2)c(=O)[nH]c1C ZINC000096149130 185107192 /nfs/dbraw/zinc/10/71/92/185107192.db2.gz GMOPQJBXOMJHDE-CYBMUJFWSA-N 1 0 270.376 3.281 50 0 CGAARO Brc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000083425503 178431899 /nfs/dbraw/zinc/43/18/99/178431899.db2.gz SXBBYJXKOXHGAW-GFCCVEGCSA-N 1 0 284.197 3.108 50 0 CGAARO CC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000097035055 185156811 /nfs/dbraw/zinc/15/68/11/185156811.db2.gz VCGPBNRDPPYQHL-AAEUAGOBSA-N 1 0 288.313 3.148 50 0 CGAARO C[NH+](C)CCN(C(=O)C1=CCCCC1)C1CCCCC1 ZINC000126916127 187269592 /nfs/dbraw/zinc/26/95/92/187269592.db2.gz DIMOYLQBDCTRPT-UHFFFAOYSA-N 1 0 278.440 3.210 50 0 CGAARO OC[C@@H]1CCC[N@@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757668 344855731 /nfs/dbraw/zinc/85/57/31/344855731.db2.gz ZDGRGXAZRSYYIJ-FAEJEUNOSA-N 1 0 273.420 3.417 50 0 CGAARO Cc1cc2n(CC[NH+]3CCCCC3)c3ccccc3n2n1 ZINC000005024218 344860231 /nfs/dbraw/zinc/86/02/31/344860231.db2.gz GDDBOECPCNVUFJ-UHFFFAOYSA-N 1 0 282.391 3.083 50 0 CGAARO COc1ccccc1OCC[N@H+](C)CCC(C)C ZINC000052246407 345101455 /nfs/dbraw/zinc/10/14/55/345101455.db2.gz ASKPWSWYQJMFMP-UHFFFAOYSA-N 1 0 251.370 3.052 50 0 CGAARO COc1ccc([C@H](O)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000071924524 345405815 /nfs/dbraw/zinc/40/58/15/345405815.db2.gz SSTQDBQRTNUTNF-KRZKXXONSA-N 1 0 283.371 3.032 50 0 CGAARO COc1c([C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000072253670 345407296 /nfs/dbraw/zinc/40/72/96/345407296.db2.gz TUQRUSOCTWROSQ-OAHLLOKOSA-N 1 0 285.391 3.074 50 0 CGAARO CCC(CC)[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000072308068 345408638 /nfs/dbraw/zinc/40/86/38/345408638.db2.gz RZRJYYVYQMJVPZ-UHFFFAOYSA-N 1 0 298.814 3.408 50 0 CGAARO Cc1ccccc1/C(=C/C1=[NH+]CCN1)c1ccccc1 ZINC000075280302 345499797 /nfs/dbraw/zinc/49/97/97/345499797.db2.gz MOBDZIOXPNYDML-GHRIWEEISA-N 1 0 262.356 3.428 50 0 CGAARO O=C1CCc2c3cc(C[NH+]4CCCCC4)ccc3[nH]c2C1 ZINC000075279201 345499804 /nfs/dbraw/zinc/49/98/04/345499804.db2.gz IGNDQHKJOYXYJU-UHFFFAOYSA-N 1 0 282.387 3.212 50 0 CGAARO CCCC[NH2+]C[C@@H]1CCc2ccc(CC)cc2C1=O ZINC000096026818 345901749 /nfs/dbraw/zinc/90/17/49/345901749.db2.gz CCYWDZZHZPFEFP-HNNXBMFYSA-N 1 0 259.393 3.384 50 0 CGAARO O[C@H](C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000096028041 345901993 /nfs/dbraw/zinc/90/19/93/345901993.db2.gz QPZCZYBNZLGGJY-QGZVFWFLSA-N 1 0 273.420 3.345 50 0 CGAARO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1)C1CCOCC1 ZINC000096478713 345903179 /nfs/dbraw/zinc/90/31/79/345903179.db2.gz RQRQEQCJIURVOY-ZOBUZTSGSA-N 1 0 288.435 3.059 50 0 CGAARO Cc1csc([C@@H]([NH2+][C@H]2CCCSC2)C2CC2)n1 ZINC000097370841 345907531 /nfs/dbraw/zinc/90/75/31/345907531.db2.gz CDWCYHUSUNAEEP-RYUDHWBXSA-N 1 0 268.451 3.388 50 0 CGAARO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(Cl)cc1 ZINC000110688010 345945957 /nfs/dbraw/zinc/94/59/57/345945957.db2.gz RMKJHCSYIKQXJJ-SDDRHHMPSA-N 1 0 255.789 3.398 50 0 CGAARO COCc1cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1F ZINC000170065549 346193694 /nfs/dbraw/zinc/19/36/94/346193694.db2.gz DADBXLONBCOFHL-HFBAOOFYSA-N 1 0 295.398 3.121 50 0 CGAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000170605264 346195012 /nfs/dbraw/zinc/19/50/12/346195012.db2.gz ZGDRPWXZVGUTBD-NWDGAFQWSA-N 1 0 254.399 3.137 50 0 CGAARO Cc1cc(N[C@H]2CC[C@@H](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608789 346195138 /nfs/dbraw/zinc/19/51/38/346195138.db2.gz QWLSSTXXUSLTKE-ZBFHGGJFSA-N 1 0 287.451 3.347 50 0 CGAARO CC(C)[N@H+](CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)C1CCC1 ZINC000170637220 346196292 /nfs/dbraw/zinc/19/62/92/346196292.db2.gz WAIXOCPFCUJNSN-FMKPAKJESA-N 1 0 280.456 3.190 50 0 CGAARO Cc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000191963205 346267270 /nfs/dbraw/zinc/26/72/70/346267270.db2.gz FESXXGANYOTDMQ-HNNXBMFYSA-N 1 0 299.418 3.180 50 0 CGAARO CC(C)C[C@H]1CN(Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000085435088 179061903 /nfs/dbraw/zinc/06/19/03/179061903.db2.gz KEAWWZLEDATLRK-HNNXBMFYSA-N 1 0 266.816 3.160 50 0 CGAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000584890301 346722477 /nfs/dbraw/zinc/72/24/77/346722477.db2.gz USRGXHGIJVFJKB-HNNXBMFYSA-N 1 0 287.432 3.166 50 0 CGAARO CCOC(=O)[C@@H]1CCC[C@H]1[N@H+](CC)Cc1ccccc1 ZINC000601013373 347851950 /nfs/dbraw/zinc/85/19/50/347851950.db2.gz JNHSEKJNCOZQBT-HZPDHXFCSA-N 1 0 275.392 3.240 50 0 CGAARO CSc1ccccc1CN1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091440402 180156811 /nfs/dbraw/zinc/15/68/11/180156811.db2.gz ZGCMPPHEMRBEEQ-JKSUJKDBSA-N 1 0 292.492 3.427 50 0 CGAARO CC(C)[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000091662947 180219580 /nfs/dbraw/zinc/21/95/80/180219580.db2.gz MAPXWUIZSCPOOF-XJKSGUPXSA-N 1 0 298.833 3.497 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@H]2CO)o1 ZINC000092455662 180388807 /nfs/dbraw/zinc/38/88/07/180388807.db2.gz GSNHQDNGQVONHH-ZDUSSCGKSA-N 1 0 289.350 3.351 50 0 CGAARO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000108328769 186210569 /nfs/dbraw/zinc/21/05/69/186210569.db2.gz AGBAYERCPNQLQL-DQYPLSBCSA-N 1 0 290.407 3.253 50 0 CGAARO c1cc(C[NH2+]C[C@@H]2C[C@]23CCCc2ccccc23)c[nH]1 ZINC000366115797 234150718 /nfs/dbraw/zinc/15/07/18/234150718.db2.gz UNJUCVMHKSBPPP-FUHWJXTLSA-N 1 0 266.388 3.399 50 0 CGAARO Cc1nc(C[C@H]2CCC[N@H+](CCSC(C)(C)C)C2)no1 ZINC000369223352 234362411 /nfs/dbraw/zinc/36/24/11/234362411.db2.gz FBJGNBWYWPGARQ-CYBMUJFWSA-N 1 0 297.468 3.164 50 0 CGAARO CC[C@H](C[NH2+][C@@H]1CCn2ccnc21)Oc1ccccc1C ZINC000296862004 200018195 /nfs/dbraw/zinc/01/81/95/200018195.db2.gz NOZRXFJMBHMYML-HUUCEWRRSA-N 1 0 285.391 3.084 50 0 CGAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000179708657 189214991 /nfs/dbraw/zinc/21/49/91/189214991.db2.gz 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/nfs/dbraw/zinc/35/03/61/369350361.db2.gz UHKCGJBEUBLICD-ZDUSSCGKSA-N 1 0 265.360 3.456 50 0 CGAARO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224933 369498863 /nfs/dbraw/zinc/49/88/63/369498863.db2.gz ZFAMIJAOYNIUAO-GOEBONIOSA-N 1 0 298.386 3.153 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053899174 369489457 /nfs/dbraw/zinc/48/94/57/369489457.db2.gz UOZHVPGIAKPRFZ-CQSZACIVSA-N 1 0 261.365 3.251 50 0 CGAARO CC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057326786 369534998 /nfs/dbraw/zinc/53/49/98/369534998.db2.gz LCEZGHROMIBJDU-CYBMUJFWSA-N 1 0 296.370 3.179 50 0 CGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC=CCC1 ZINC000057561343 369540862 /nfs/dbraw/zinc/54/08/62/369540862.db2.gz NDFHINISJQLEGO-KRWDZBQOSA-N 1 0 298.430 3.124 50 0 CGAARO CCc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1 ZINC000058006600 369553970 /nfs/dbraw/zinc/55/39/70/369553970.db2.gz WOLMMBUWROLJPB-UHFFFAOYSA-N 1 0 260.425 3.213 50 0 CGAARO CC[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058299344 369562883 /nfs/dbraw/zinc/56/28/83/369562883.db2.gz WTVDRYUFLSNQMS-UONOGXRCSA-N 1 0 294.464 3.122 50 0 CGAARO C/C=C/C=C/C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000058438356 369568208 /nfs/dbraw/zinc/56/82/08/369568208.db2.gz OSDJCVDFDXRCDK-AOGGBPEJSA-N 1 0 284.403 3.031 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1OC ZINC000061588898 369602311 /nfs/dbraw/zinc/60/23/11/369602311.db2.gz NEOJSELXGNQOEK-WCQYABFASA-N 1 0 281.421 3.250 50 0 CGAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000066871053 369709229 /nfs/dbraw/zinc/70/92/29/369709229.db2.gz SGYOMFDATGRIKR-GOSISDBHSA-N 1 0 294.398 3.166 50 0 CGAARO Cc1cnn(CCC[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000065417101 369674579 /nfs/dbraw/zinc/67/45/79/369674579.db2.gz DCCARDZZYSOYTK-INIZCTEOSA-N 1 0 271.408 3.193 50 0 CGAARO CO[C@@H](C[NH2+]C1Cc2ccccc2C1)c1cccs1 ZINC000065494147 369679401 /nfs/dbraw/zinc/67/94/01/369679401.db2.gz FJCXVQITRYDAOE-HNNXBMFYSA-N 1 0 273.401 3.193 50 0 CGAARO CCc1cnc(C)nc1N[C@H](C[NH+](C)C)c1ccccc1 ZINC000065533865 369682780 /nfs/dbraw/zinc/68/27/80/369682780.db2.gz OBRHOKPYCCIAGO-MRXNPFEDSA-N 1 0 284.407 3.062 50 0 CGAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069538011 369763711 /nfs/dbraw/zinc/76/37/11/369763711.db2.gz HHRJNJHCVMAYGK-CHWSQXEVSA-N 1 0 284.363 3.072 50 0 CGAARO Fc1ccc(-c2nccn2CC23CCC[NH+]2CCC3)cc1 ZINC000067789011 369729272 /nfs/dbraw/zinc/72/92/72/369729272.db2.gz KQQMYADZRMIBJA-UHFFFAOYSA-N 1 0 285.366 3.318 50 0 CGAARO CCCc1ccc([C@@H](C)Nc2ncnc3c2CC[NH2+]C3)cc1 ZINC000067855194 369733766 /nfs/dbraw/zinc/73/37/66/369733766.db2.gz PJNWKQSTUWPEIP-CYBMUJFWSA-N 1 0 296.418 3.248 50 0 CGAARO Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)o1 ZINC000072436395 369821380 /nfs/dbraw/zinc/82/13/80/369821380.db2.gz KSLSMYNEBCCEKL-UHFFFAOYSA-N 1 0 256.349 3.363 50 0 CGAARO c1ccc2[nH]c(C3CC[NH+](C[C@H]4CCCCO4)CC3)nc2c1 ZINC000078922715 369955804 /nfs/dbraw/zinc/95/58/04/369955804.db2.gz SPHJQLRWOOFSNI-OAHLLOKOSA-N 1 0 299.418 3.311 50 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185103796 /nfs/dbraw/zinc/10/37/96/185103796.db2.gz GQCYHXBFOZPBMK-UHFFFAOYSA-N 1 0 297.398 3.321 50 0 CGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000016310543 344886330 /nfs/dbraw/zinc/88/63/30/344886330.db2.gz DJNUOWBCMFAIHY-APWZRJJASA-N 1 0 281.399 3.416 50 0 CGAARO Cc1ccc(C(C)(C)C[C@@H](C)[N@H+](C)CCN(C)C)o1 ZINC000022077792 344894549 /nfs/dbraw/zinc/89/45/49/344894549.db2.gz OGSKKQXDSUHHIK-CYBMUJFWSA-N 1 0 266.429 3.138 50 0 CGAARO O[C@@H]1CCC[N@@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000032162344 344930336 /nfs/dbraw/zinc/93/03/36/344930336.db2.gz REOJDWNPCWABRJ-MRXNPFEDSA-N 1 0 259.393 3.303 50 0 CGAARO CS[C@H]1CC[C@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000075922221 345528189 /nfs/dbraw/zinc/52/81/89/345528189.db2.gz MXDFCPMFTORGAW-RYUDHWBXSA-N 1 0 256.440 3.167 50 0 CGAARO CCC[NH+](CCC)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000075551829 345513081 /nfs/dbraw/zinc/51/30/81/345513081.db2.gz SHLJDIOREPQPCO-UHFFFAOYSA-N 1 0 285.391 3.059 50 0 CGAARO C[C@@H]([NH2+]CCCc1nc2ccccc2o1)[C@@H](C)n1cccn1 ZINC000075606639 345515045 /nfs/dbraw/zinc/51/50/45/345515045.db2.gz SQDACDQRGJENLW-ZIAGYGMSSA-N 1 0 298.390 3.196 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1O ZINC000078988908 345627014 /nfs/dbraw/zinc/62/70/14/345627014.db2.gz REFXMWMGXXEMON-QAPCUYQASA-N 1 0 299.370 3.021 50 0 CGAARO COc1ccc([C@@H]([NH2+]CCn2ccnc2C)C(C)C)cc1 ZINC000091313894 345810937 /nfs/dbraw/zinc/81/09/37/345810937.db2.gz KQFOOTOUUWQKHB-KRWDZBQOSA-N 1 0 287.407 3.187 50 0 CGAARO CCOC(=O)NCCCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000096027364 345901685 /nfs/dbraw/zinc/90/16/85/345901685.db2.gz RUCSHZZSHWNIGN-KBPBESRZSA-N 1 0 270.417 3.166 50 0 CGAARO CC(C)(CO)[NH2+]CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000096028051 345901859 /nfs/dbraw/zinc/90/18/59/345901859.db2.gz OCPRHQIYUINTAE-UHFFFAOYSA-N 1 0 297.398 3.287 50 0 CGAARO CC[N@@H+]1CC[C@H](Nc2cc(NC(C)=O)ccc2C)[C@H](C)C1 ZINC000097095669 345906838 /nfs/dbraw/zinc/90/68/38/345906838.db2.gz RCDQGAZSQPLMOW-CJNGLKHVSA-N 1 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/nfs/dbraw/zinc/27/46/89/346274689.db2.gz KSTJUIWFQFWNEE-INIZCTEOSA-N 1 0 285.391 3.337 50 0 CGAARO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000225668086 346304541 /nfs/dbraw/zinc/30/45/41/346304541.db2.gz WXCNKUVIJWPEFW-NSHDSACASA-N 1 0 274.364 3.280 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000253369856 346394342 /nfs/dbraw/zinc/39/43/42/346394342.db2.gz IXQHBWYEJKCFHZ-BZPMIXESSA-N 1 0 279.453 3.061 50 0 CGAARO CCc1nnc(C[N@H+](C)[C@H]2CCCC[C@H]2C)s1 ZINC000253370279 346394404 /nfs/dbraw/zinc/39/44/04/346394404.db2.gz OPJXESHWJGVLPU-MNOVXSKESA-N 1 0 253.415 3.111 50 0 CGAARO CC(C)(C)[NH2+]Cc1c(F)cccc1Br ZINC000085476909 179079759 /nfs/dbraw/zinc/07/97/59/179079759.db2.gz AAUHDKJYLQABFB-UHFFFAOYSA-N 1 0 260.150 3.476 50 0 CGAARO c1ccc(C[N@@H+]2CC[C@@H]3Nc4ccccc4[C@H]3C2)cc1 ZINC000306583212 346455556 /nfs/dbraw/zinc/45/55/56/346455556.db2.gz DAFWBWMYCWYNEC-AEFFLSMTSA-N 1 0 264.372 3.470 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000584904298 346723608 /nfs/dbraw/zinc/72/36/08/346723608.db2.gz VFSCAXGPMNIWEZ-NUJGCVRESA-N 1 0 287.403 3.339 50 0 CGAARO Cc1cc(N2CCO[C@H](c3ccccc3F)C2)cc[nH+]1 ZINC000253419773 136593404 /nfs/dbraw/zinc/59/34/04/136593404.db2.gz AJDWVNFMSMEGGW-INIZCTEOSA-N 1 0 272.323 3.107 50 0 CGAARO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000103341805 185831089 /nfs/dbraw/zinc/83/10/89/185831089.db2.gz ZXMNJAJUOMJFSU-WDEREUQCSA-N 1 0 288.313 3.306 50 0 CGAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000090887940 180053882 /nfs/dbraw/zinc/05/38/82/180053882.db2.gz DFRWWAXACNANAN-SNVBAGLBSA-N 1 0 292.452 3.468 50 0 CGAARO COCCC[C@]1(CO)CCC[N@@H+](C2CCCCCC2)C1 ZINC000091255483 180114814 /nfs/dbraw/zinc/11/48/14/180114814.db2.gz MNLFLHGLDHQHKL-QGZVFWFLSA-N 1 0 283.456 3.210 50 0 CGAARO CC(C)[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1 ZINC000091339378 180136536 /nfs/dbraw/zinc/13/65/36/180136536.db2.gz COSWEFZIUUNWHI-QGZVFWFLSA-N 1 0 290.451 3.084 50 0 CGAARO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000295174345 199387850 /nfs/dbraw/zinc/38/78/50/199387850.db2.gz GQVSDRQCKMIDBQ-SNVBAGLBSA-N 1 0 273.829 3.384 50 0 CGAARO C[C@H](c1ccncn1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215067110 189691058 /nfs/dbraw/zinc/69/10/58/189691058.db2.gz FSGBPEMJHZKMGB-CYBMUJFWSA-N 1 0 297.402 3.383 50 0 CGAARO OC[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000000218108 368318706 /nfs/dbraw/zinc/31/87/06/368318706.db2.gz AEQQZIUZTNPWJA-INIZCTEOSA-N 1 0 255.361 3.187 50 0 CGAARO C[NH+](C)CCN(Cc1cccs1)c1ccccc1 ZINC000000001699 368269374 /nfs/dbraw/zinc/26/93/74/368269374.db2.gz LDYJXVUOVPVZKA-UHFFFAOYSA-N 1 0 260.406 3.316 50 0 in-man CGAARO COc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1 ZINC000000129636 368297405 /nfs/dbraw/zinc/29/74/05/368297405.db2.gz CRLKNVGZXTYPNJ-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO O=C(CC[NH+]1CCCCCC1)Nc1ccccc1F ZINC000000176628 368309382 /nfs/dbraw/zinc/30/93/82/368309382.db2.gz VQRXWVSTJJAXRS-UHFFFAOYSA-N 1 0 264.344 3.030 50 0 CGAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000000285863 368333547 /nfs/dbraw/zinc/33/35/47/368333547.db2.gz RBOORHPKICAWDS-MRXNPFEDSA-N 1 0 277.408 3.036 50 0 CGAARO Clc1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000000317151 368340758 /nfs/dbraw/zinc/34/07/58/368340758.db2.gz GHJKHCIVSHLAMO-UHFFFAOYSA-N 1 0 278.827 3.400 50 0 CGAARO C[N@H+](CCc1ccccn1)[C@H]1CCc2ccccc2C1 ZINC000000757793 368393593 /nfs/dbraw/zinc/39/35/93/368393593.db2.gz UGTTZLWFRZDNMP-SFHVURJKSA-N 1 0 266.388 3.113 50 0 CGAARO CCCOc1ccc(NC(=O)OC2CC[NH+](C)CC2)cc1 ZINC000002049846 368445905 /nfs/dbraw/zinc/44/59/05/368445905.db2.gz PCKJAGMEUJAJAS-UHFFFAOYSA-N 1 0 292.379 3.118 50 0 CGAARO CC(C)CCC[C@H](C)N(C)C(=O)C[NH+]1CCCCC1 ZINC000002168166 368448854 /nfs/dbraw/zinc/44/88/54/368448854.db2.gz MOKJCTAYBPCUOP-HNNXBMFYSA-N 1 0 268.445 3.146 50 0 CGAARO COc1cc(C[NH2+]CC[C@@H]2CCOC(C)(C)C2)ccc1O ZINC000001807475 368438444 /nfs/dbraw/zinc/43/84/44/368438444.db2.gz APXAEPWNJJITRB-CYBMUJFWSA-N 1 0 293.407 3.086 50 0 biogenic CGAARO COc1ccc(C[NH2+]CCc2ccccc2)cc1OC ZINC000002388695 368452716 /nfs/dbraw/zinc/45/27/16/368452716.db2.gz CKFVAYWLHADYJV-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO COc1cccc(OCCCC[NH2+]Cc2ccco2)c1 ZINC000003247111 368499065 /nfs/dbraw/zinc/49/90/65/368499065.db2.gz ULRMKTCERWDXMS-UHFFFAOYSA-N 1 0 275.348 3.237 50 0 CGAARO COc1ccc(NC(=O)C[NH2+]CCC2=CCCCC2)cc1 ZINC000002836982 368481334 /nfs/dbraw/zinc/48/13/34/368481334.db2.gz JBBBPTBJJPKVLT-UHFFFAOYSA-N 1 0 288.391 3.114 50 0 CGAARO COc1ccc(OCCC[NH2+]CCc2ccccc2)cc1 ZINC000002825229 368481422 /nfs/dbraw/zinc/48/14/22/368481422.db2.gz RKUMGDZDOHZHLQ-UHFFFAOYSA-N 1 0 285.387 3.296 50 0 CGAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1 ZINC000002871407 368483119 /nfs/dbraw/zinc/48/31/19/368483119.db2.gz KRZFSNQVIHZKPX-MRXNPFEDSA-N 1 0 291.435 3.256 50 0 CGAARO CC1CC[NH+](CCOCCOc2ccccc2Cl)CC1 ZINC000002955006 368485388 /nfs/dbraw/zinc/48/53/88/368485388.db2.gz UGVYZCPITJHVIF-UHFFFAOYSA-N 1 0 297.826 3.467 50 0 CGAARO CCOc1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000003001021 368488190 /nfs/dbraw/zinc/48/81/90/368488190.db2.gz WONAUHYHCRQBDX-UHFFFAOYSA-N 1 0 251.370 3.242 50 0 CGAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000003367454 368505241 /nfs/dbraw/zinc/50/52/41/368505241.db2.gz ZEABISYUCLDQTI-SFHVURJKSA-N 1 0 299.414 3.339 50 0 CGAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000003893517 368523607 /nfs/dbraw/zinc/52/36/07/368523607.db2.gz PJSMOWNWLLFUFR-ZFWWWQNUSA-N 1 0 297.826 3.263 50 0 CGAARO CCCC[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000004105174 368530788 /nfs/dbraw/zinc/53/07/88/368530788.db2.gz FVILKFPVOGFNJH-QGZVFWFLSA-N 1 0 261.409 3.417 50 0 CGAARO Cc1ccc(C)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000004978300 368560415 /nfs/dbraw/zinc/56/04/15/368560415.db2.gz DCFLZEDCMGAMQC-UHFFFAOYSA-N 1 0 281.403 3.021 50 0 CGAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)CC ZINC000004264054 368539975 /nfs/dbraw/zinc/53/99/75/368539975.db2.gz LNMPSDGTOGKSRR-ILXRZTDVSA-N 1 0 279.424 3.328 50 0 CGAARO Cc1cccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000007811366 368572644 /nfs/dbraw/zinc/57/26/44/368572644.db2.gz PVCICENBYIVPQH-STQMWFEESA-N 1 0 274.408 3.220 50 0 CGAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccccc1 ZINC000010311116 368579815 /nfs/dbraw/zinc/57/98/15/368579815.db2.gz ODRQMJPBUSLTGS-SFHVURJKSA-N 1 0 294.398 3.140 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1ccccc1F ZINC000013718202 368664065 /nfs/dbraw/zinc/66/40/65/368664065.db2.gz VUTFHSCSWWFGHT-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Cc1ccc(N[C@H]2CCC[N@H+](CC(C)(C)CO)C2)cc1C ZINC000012197469 368605193 /nfs/dbraw/zinc/60/51/93/368605193.db2.gz GVNLBKRCQHJORR-KRWDZBQOSA-N 1 0 290.451 3.198 50 0 CGAARO C[C@H](O)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012383519 368610644 /nfs/dbraw/zinc/61/06/44/368610644.db2.gz UUEYHIHEEIWFDK-JTQLQIEISA-N 1 0 299.292 3.436 50 0 CGAARO Cc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000013745495 368666619 /nfs/dbraw/zinc/66/66/19/368666619.db2.gz VDXCLEOAFVNNMT-UHFFFAOYSA-N 1 0 286.419 3.086 50 0 CGAARO Cc1ccc(NC(=O)N2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000013322863 368648853 /nfs/dbraw/zinc/64/88/53/368648853.db2.gz PQUAJXDWDCISCH-UHFFFAOYSA-N 1 0 295.814 3.206 50 0 CGAARO CCC[NH+]1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000016580163 368715898 /nfs/dbraw/zinc/71/58/98/368715898.db2.gz UPZHONHXODPQHM-KRWDZBQOSA-N 1 0 288.435 3.171 50 0 CGAARO CCC(CC)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016603834 368717671 /nfs/dbraw/zinc/71/76/71/368717671.db2.gz XXEASWSZJCUJEC-UHFFFAOYSA-N 1 0 288.435 3.203 50 0 CGAARO FC(F)(F)c1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000014631216 368683005 /nfs/dbraw/zinc/68/30/05/368683005.db2.gz JOGHAZMIPHVCQX-JTQLQIEISA-N 1 0 259.271 3.084 50 0 CGAARO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1 ZINC000017314945 368731113 /nfs/dbraw/zinc/73/11/13/368731113.db2.gz WWUIUKZPLXTKOW-CYBMUJFWSA-N 1 0 265.360 3.424 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1ccccc1Cl ZINC000019636805 368760840 /nfs/dbraw/zinc/76/08/40/368760840.db2.gz FOTHKOAHHQFSGH-UHFFFAOYSA-N 1 0 254.805 3.114 50 0 CGAARO Cc1ccc(C)c(O[C@@H](C)C[NH2+]Cc2ccco2)c1 ZINC000019737997 368763278 /nfs/dbraw/zinc/76/32/78/368763278.db2.gz UWECMXAXWQCTNR-AWEZNQCLSA-N 1 0 259.349 3.454 50 0 CGAARO Cc1cccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c1 ZINC000019781871 368765926 /nfs/dbraw/zinc/76/59/26/368765926.db2.gz ZJZVJXRMIHRPII-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH3+] ZINC000035755547 369004594 /nfs/dbraw/zinc/00/45/94/369004594.db2.gz ZHBGUCITSZSMQV-LDWIPMOCSA-N 1 0 258.184 3.191 50 0 CGAARO c1ccc(Cn2c3ccccc3c3c2CC[NH2+]C3)cc1 ZINC000035972714 369005670 /nfs/dbraw/zinc/00/56/70/369005670.db2.gz MLJFUGARSRPYSF-UHFFFAOYSA-N 1 0 262.356 3.335 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037071163 369058252 /nfs/dbraw/zinc/05/82/52/369058252.db2.gz WLZRMDIUIZIWRY-LBPRGKRZSA-N 1 0 269.392 3.448 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000037847941 369119401 /nfs/dbraw/zinc/11/94/01/369119401.db2.gz VBHNHRNINAVSQL-JZXOWHBKSA-N 1 0 291.435 3.211 50 0 CGAARO c1ccc(Cc2ccc(OC[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000042773299 369231005 /nfs/dbraw/zinc/23/10/05/369231005.db2.gz OZBTYFVVZXKTBS-KRWDZBQOSA-N 1 0 267.372 3.266 50 0 CGAARO FC(F)(F)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773124 369231152 /nfs/dbraw/zinc/23/11/52/369231152.db2.gz QVUBWGPXUFTIGN-NSHDSACASA-N 1 0 273.298 3.474 50 0 CGAARO Cc1ccc(Cl)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772364 369231407 /nfs/dbraw/zinc/23/14/07/369231407.db2.gz ACWAPVCPEFYZPY-LBPRGKRZSA-N 1 0 253.773 3.417 50 0 CGAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000493796481 244232098 /nfs/dbraw/zinc/23/20/98/244232098.db2.gz TVXJXEJYOIBZCF-OJTYSEKASA-N 1 0 298.839 3.001 50 0 CGAARO CCC(CC)[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000048121786 369335011 /nfs/dbraw/zinc/33/50/11/369335011.db2.gz BOSFPJJBTNTVCI-UHFFFAOYSA-N 1 0 278.444 3.302 50 0 CGAARO C[C@@H](CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000055932675 369522604 /nfs/dbraw/zinc/52/26/04/369522604.db2.gz UCNAVXKOERNQTL-HNNXBMFYSA-N 1 0 296.414 3.444 50 0 CGAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000058381206 369567288 /nfs/dbraw/zinc/56/72/88/369567288.db2.gz BADHAEQBCRYTOX-CYBMUJFWSA-N 1 0 287.382 3.500 50 0 CGAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000219234408 376197304 /nfs/dbraw/zinc/19/73/04/376197304.db2.gz ZCJAEJJHBNYNHV-ZDUSSCGKSA-N 1 0 298.342 3.025 50 0 CGAARO C[C@H](Cn1ccnc1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680887 369605363 /nfs/dbraw/zinc/60/53/63/369605363.db2.gz ABSJJRMEYARXHF-CYBMUJFWSA-N 1 0 298.415 3.185 50 0 CGAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000066972345 369708920 /nfs/dbraw/zinc/70/89/20/369708920.db2.gz BQRHIGWYYVPRJW-SWLSCSKDSA-N 1 0 288.416 3.467 50 0 CGAARO Fc1ccc(N2CC[C@H](C[NH2+]C3CCCC3)C2)cc1 ZINC000067253446 369714715 /nfs/dbraw/zinc/71/47/15/369714715.db2.gz CEPXMUGREYLDCQ-CYBMUJFWSA-N 1 0 262.372 3.184 50 0 CGAARO Cc1ccccc1[C@]1(O)CC[N@H+](C/C=C/c2ccco2)C1 ZINC000065398943 369672146 /nfs/dbraw/zinc/67/21/46/369672146.db2.gz HXHCZLXUPOEJNC-UKTKYZJWSA-N 1 0 283.371 3.195 50 0 CGAARO CC(C)[C@H]1CCC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000065497024 369679119 /nfs/dbraw/zinc/67/91/19/369679119.db2.gz FULHSDOQFKXVQU-CQSZACIVSA-N 1 0 290.436 3.164 50 0 CGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)cc2)CC1 ZINC000065576402 369683784 /nfs/dbraw/zinc/68/37/84/369683784.db2.gz ZAQZZGJYJJSLEY-UHFFFAOYSA-N 1 0 289.423 3.333 50 0 CGAARO COc1ccc(Oc2cccnc2)cc1C[NH+]1CCCC1 ZINC000067650670 369722132 /nfs/dbraw/zinc/72/21/32/369722132.db2.gz TXFZVJYJHRLEGJ-UHFFFAOYSA-N 1 0 284.359 3.478 50 0 CGAARO CC(C)c1noc([C@H](C)N(C)CCOc2ccccc2)n1 ZINC000069420396 369759003 /nfs/dbraw/zinc/75/90/03/369759003.db2.gz WPELGHQTALGGLQ-ZDUSSCGKSA-N 1 0 289.379 3.265 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460271 369760184 /nfs/dbraw/zinc/76/01/84/369760184.db2.gz NVWCMVPHPUKQHQ-STQMWFEESA-N 1 0 296.374 3.022 50 0 CGAARO CN(Cc1ncc[nH]1)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000067966382 369736584 /nfs/dbraw/zinc/73/65/84/369736584.db2.gz OTKURZTXIZGAFS-UHFFFAOYSA-N 1 0 297.314 3.067 50 0 CGAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(O)cc1Cl ZINC000072447406 369821255 /nfs/dbraw/zinc/82/12/55/369821255.db2.gz PAIHKHLWYMMBIB-UHFFFAOYSA-N 1 0 296.823 3.485 50 0 CGAARO Clc1ccc(Br)c(C[NH2+]C2CC2)c1 ZINC000083441960 370005763 /nfs/dbraw/zinc/00/57/63/370005763.db2.gz BVUDMINJUAVQSL-UHFFFAOYSA-N 1 0 260.562 3.355 50 0 CGAARO COc1ccc2oc(C[N@@H+]3CCC[C@@H](CCO)C3)cc2c1 ZINC000093107697 370110810 /nfs/dbraw/zinc/11/08/10/370110810.db2.gz UMRXVGVEIDWDLF-ZDUSSCGKSA-N 1 0 289.375 3.036 50 0 CGAARO Fc1cccc(Cl)c1CC[NH2+]Cc1ccccn1 ZINC000089883752 370049244 /nfs/dbraw/zinc/04/92/44/370049244.db2.gz ZWLNLMGEUOTIDA-UHFFFAOYSA-N 1 0 264.731 3.206 50 0 CGAARO C[N@@H+]1CCC[C@@H](CCc2ncnn2C2CCCCC2)C1 ZINC000095353822 370177564 /nfs/dbraw/zinc/17/75/64/370177564.db2.gz UELLQCCUAGKQHD-AWEZNQCLSA-N 1 0 276.428 3.058 50 0 CGAARO C[N@@H+]1CCCCC[C@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000095355751 370177782 /nfs/dbraw/zinc/17/77/82/370177782.db2.gz OIFZBMNTKDHTBN-AWEZNQCLSA-N 1 0 297.362 3.160 50 0 CGAARO CCc1cc(NCc2cccc(C[NH+]3CCCC3)c2)ncn1 ZINC000095384055 370181523 /nfs/dbraw/zinc/18/15/23/370181523.db2.gz HIBRAJQGSZNVLA-UHFFFAOYSA-N 1 0 296.418 3.247 50 0 CGAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cl)c1 ZINC000097631965 370248430 /nfs/dbraw/zinc/24/84/30/370248430.db2.gz RYTDZAXGXSQDGI-KGLIPLIRSA-N 1 0 293.798 3.040 50 0 CGAARO COc1ccc(F)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000097679984 370250404 /nfs/dbraw/zinc/25/04/04/370250404.db2.gz XKBJTQSCGRECRZ-UHFFFAOYSA-N 1 0 293.382 3.227 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1C(F)(F)F ZINC000095421179 370188788 /nfs/dbraw/zinc/18/87/88/370188788.db2.gz KBJTZDYXEUUTAZ-WDEREUQCSA-N 1 0 298.312 3.036 50 0 CGAARO Fc1ccc([C@H]([NH2+]C2CCOCC2)C2CCC2)cc1 ZINC000095421820 370188821 /nfs/dbraw/zinc/18/88/21/370188821.db2.gz NNVRXLMYYFILRM-MRXNPFEDSA-N 1 0 263.356 3.436 50 0 CGAARO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)C1CCOCC1 ZINC000095421083 370188981 /nfs/dbraw/zinc/18/89/81/370188981.db2.gz DTHNSPHIBLCYNJ-LBPRGKRZSA-N 1 0 283.799 3.124 50 0 CGAARO Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000095988202 370203337 /nfs/dbraw/zinc/20/33/37/370203337.db2.gz XBOHKELHVGUCTL-CABCVRRESA-N 1 0 290.407 3.116 50 0 CGAARO CCC[C@@H](C[N@H+](C)C1CCS(=O)CC1)c1ccccc1 ZINC000095986775 370203401 /nfs/dbraw/zinc/20/34/01/370203401.db2.gz QPLBMMYMDQBANB-VXESANQCSA-N 1 0 293.476 3.413 50 0 CGAARO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCOC2)cc1 ZINC000112793490 370451365 /nfs/dbraw/zinc/45/13/65/370451365.db2.gz JNXOTQCGVSKNBD-WCQYABFASA-N 1 0 251.395 3.238 50 0 CGAARO c1ccc(C[N@@H+]2CCCC23CCC2(CC3)OCCO2)cc1 ZINC000116514077 370562750 /nfs/dbraw/zinc/56/27/50/370562750.db2.gz ZWGJYTRWQOVFPT-UHFFFAOYSA-N 1 0 287.403 3.338 50 0 CGAARO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000119054356 370640530 /nfs/dbraw/zinc/64/05/30/370640530.db2.gz MOPNOADIDKIPBU-IRXDYDNUSA-N 1 0 298.434 3.015 50 0 CGAARO CC(C)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000133038877 371221385 /nfs/dbraw/zinc/22/13/85/371221385.db2.gz FVZMSKXMLRBXDK-UHFFFAOYSA-N 1 0 250.411 3.056 50 0 CGAARO C[C@@H](c1ccc(-c2ccncc2)cc1)[NH+]1CCOCC1 ZINC000426475449 372159105 /nfs/dbraw/zinc/15/91/05/372159105.db2.gz PFVVWLMNBXIPCV-AWEZNQCLSA-N 1 0 268.360 3.142 50 0 CGAARO COc1ncccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000426489919 372161540 /nfs/dbraw/zinc/16/15/40/372161540.db2.gz OUPBKEHANLGIQX-UHFFFAOYSA-N 1 0 283.375 3.138 50 0 CGAARO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161702745 372347485 /nfs/dbraw/zinc/34/74/85/372347485.db2.gz IJMPVBHJGLGVJY-MFKMUULPSA-N 1 0 298.789 3.141 50 0 CGAARO O[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)CC1 ZINC000293953770 372535883 /nfs/dbraw/zinc/53/58/83/372535883.db2.gz IXRIXNKOTNCLOU-MRXNPFEDSA-N 1 0 289.419 3.355 50 0 CGAARO c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000167007009 372587470 /nfs/dbraw/zinc/58/74/70/372587470.db2.gz JXVNTEMCQVEZMJ-UHFFFAOYSA-N 1 0 252.361 3.461 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)C1CCCCC1 ZINC000168139876 372606953 /nfs/dbraw/zinc/60/69/53/372606953.db2.gz CVGHJFOVFWSTAB-DZGCQCFKSA-N 1 0 291.414 3.358 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000169678668 372631367 /nfs/dbraw/zinc/63/13/67/372631367.db2.gz BCQQMNPHAQYDSG-SJLPKXTDSA-N 1 0 293.451 3.321 50 0 CGAARO C[N@H+](Cc1ccncc1)Cc1cccc2[nH]ccc21 ZINC000170594880 372639833 /nfs/dbraw/zinc/63/98/33/372639833.db2.gz JKJWHIMSOLAWJS-UHFFFAOYSA-N 1 0 251.333 3.195 50 0 CGAARO Cc1cccc2c(NCc3ccccc3F)nc(C[NH3+])nc12 ZINC000299755405 373608969 /nfs/dbraw/zinc/60/89/69/373608969.db2.gz BVEYJAOIUHPMMY-UHFFFAOYSA-N 1 0 296.349 3.148 50 0 CGAARO c1[nH]nc2c1cccc2C[NH2+]CCc1nc(C2CC2)cs1 ZINC000084050389 541931135 /nfs/dbraw/zinc/93/11/35/541931135.db2.gz XLYDNDGVLPTRMG-UHFFFAOYSA-N 1 0 298.415 3.229 50 0 CGAARO C[C@H](CC1CCOCC1)[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000090547167 541962408 /nfs/dbraw/zinc/96/24/08/541962408.db2.gz NTYFFQQUCPRKBR-CQSZACIVSA-N 1 0 291.439 3.293 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1 ZINC000090916345 541964584 /nfs/dbraw/zinc/96/45/84/541964584.db2.gz LMVASRNFRZVCKW-QRTARXTBSA-N 1 0 289.423 3.398 50 0 CGAARO c1cc2c3c(c1)CCC[C@@H]3C[C@@H]2[NH2+]C1CCOCC1 ZINC000090974676 541965257 /nfs/dbraw/zinc/96/52/57/541965257.db2.gz WVOUDZHOURGBPI-CJNGLKHVSA-N 1 0 257.377 3.320 50 0 CGAARO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252568977 189981627 /nfs/dbraw/zinc/98/16/27/189981627.db2.gz VSIOLDPGBPSORY-GRYCIOLGSA-N 1 0 267.335 3.104 50 0 CGAARO COc1cccc2c1CC[C@H]2[NH2+]C1CCSCC1 ZINC000095969337 541992333 /nfs/dbraw/zinc/99/23/33/541992333.db2.gz ZMRUQFWRVUYHFK-CQSZACIVSA-N 1 0 263.406 3.168 50 0 CGAARO CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H](C)c1ccccc1)CC2 ZINC000194338598 375985642 /nfs/dbraw/zinc/98/56/42/375985642.db2.gz NKAQSTVHNFSUAO-GDBMZVCRSA-N 1 0 298.434 3.110 50 0 CGAARO CCCc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)o1 ZINC000215775675 376152329 /nfs/dbraw/zinc/15/23/29/376152329.db2.gz 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/nfs/dbraw/zinc/46/00/99/376460099.db2.gz KTSBNYMMGPYILQ-UKRRQHHQSA-N 1 0 287.432 3.068 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cn[nH]c1 ZINC000229883602 376474973 /nfs/dbraw/zinc/47/49/73/376474973.db2.gz ZRWQGNRXPYBDNL-SECBINFHSA-N 1 0 264.398 3.015 50 0 CGAARO C[C@@H]1CCC[C@@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000230118670 376485277 /nfs/dbraw/zinc/48/52/77/376485277.db2.gz HLBKQWNHXCVNLD-KYJSFNMBSA-N 1 0 288.435 3.158 50 0 CGAARO C[C@@H]([NH3+])C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000237444038 376742294 /nfs/dbraw/zinc/74/22/94/376742294.db2.gz JRHLZCKNHGHUTM-OLZOCXBDSA-N 1 0 282.387 3.239 50 0 CGAARO CC(C)c1noc(C2CC[NH+](C3CCSCC3)CC2)n1 ZINC000240936844 376776291 /nfs/dbraw/zinc/77/62/91/376776291.db2.gz SESYBQGEVMHCGB-UHFFFAOYSA-N 1 0 295.452 3.268 50 0 CGAARO Cc1cc([C@H]2CCCCN2Cc2ccncc2C)no1 ZINC000244794959 376796262 /nfs/dbraw/zinc/79/62/62/376796262.db2.gz QXBZRCRYYRIFOA-MRXNPFEDSA-N 1 0 271.364 3.414 50 0 CGAARO CCCO[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc3C2)C1 ZINC000244811411 376798321 /nfs/dbraw/zinc/79/83/21/376798321.db2.gz SCBWZQBYFRWOSB-ZWKOTPCHSA-N 1 0 273.420 3.435 50 0 CGAARO Fc1cccc([C@@H]2CCCC[N@@H+]2CCc2cn[nH]c2)c1 ZINC000244899933 376798911 /nfs/dbraw/zinc/79/89/11/376798911.db2.gz ZTFWSHUQDGZTED-INIZCTEOSA-N 1 0 273.355 3.319 50 0 CGAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccs1 ZINC000248690513 377380858 /nfs/dbraw/zinc/38/08/58/377380858.db2.gz ASSIVOISBUEJCK-OIMNJJJWSA-N 1 0 263.406 3.356 50 0 CGAARO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000248705092 377384701 /nfs/dbraw/zinc/38/47/01/377384701.db2.gz HICNCZLMQPSFKT-DDHJSBNISA-N 1 0 261.365 3.196 50 0 CGAARO CO[C@H](C)c1nc(C[NH+]2C[C@@H]3CC=CC[C@H]3C2)cs1 ZINC000252476902 377625781 /nfs/dbraw/zinc/62/57/81/377625781.db2.gz DNAYWIZAHIRSBF-AGIUHOORSA-N 1 0 278.421 3.249 50 0 CGAARO CCCn1ccc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)c1 ZINC000252488307 377631082 /nfs/dbraw/zinc/63/10/82/377631082.db2.gz IOUQWHJAMIYLRD-MRXNPFEDSA-N 1 0 288.439 3.161 50 0 CGAARO Cc1cncc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000253431075 377694227 /nfs/dbraw/zinc/69/42/27/377694227.db2.gz ZIDVCOMOLBXBGB-QGZVFWFLSA-N 1 0 292.386 3.187 50 0 CGAARO Cc1cccc([C@H](C)NC(=O)C23CCC[NH+]2CCC3)c1C ZINC000253404719 377688572 /nfs/dbraw/zinc/68/85/72/377688572.db2.gz PWDDBDCMTNIMEV-HNNXBMFYSA-N 1 0 286.419 3.109 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000011852194 291848851 /nfs/dbraw/zinc/84/88/51/291848851.db2.gz GBBKLVNISBEAMH-BRWVUGGUSA-N 1 0 291.435 3.306 50 0 CGAARO FC1(F)Oc2ccc(CC[NH2+]Cc3ccccc3)cc2O1 ZINC000521398180 256853397 /nfs/dbraw/zinc/85/33/97/256853397.db2.gz RZDPCSPLFRNSOM-UHFFFAOYSA-N 1 0 291.297 3.340 50 0 CGAARO O[C@@H]1c2ccccc2O[C@@]2([NH+]3CCCC3)CCCC[C@H]12 ZINC000063907058 285342610 /nfs/dbraw/zinc/34/26/10/285342610.db2.gz JLHMLQKTHCZJSS-OIISXLGYSA-N 1 0 273.376 3.095 50 0 CGAARO CCc1c(C)[nH+]c(N)nc1N[C@H](c1ncccc1C)C1CC1 ZINC000095354181 184951556 /nfs/dbraw/zinc/95/15/56/184951556.db2.gz VIKPVSWEMSUXDO-HNNXBMFYSA-N 1 0 297.406 3.196 50 0 CGAARO Cn1cc(CC[NH3+])c2cc(OCc3ccccc3)ccc21 ZINC000094968091 184908521 /nfs/dbraw/zinc/90/85/21/184908521.db2.gz QRPIQKTZGZAIRY-UHFFFAOYSA-N 1 0 280.371 3.259 50 0 CGAARO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000095419656 184976024 /nfs/dbraw/zinc/97/60/24/184976024.db2.gz BCWPIBXLVCTKOL-CYBMUJFWSA-N 1 0 260.381 3.010 50 0 CGAARO c1ccc2c(c1)SCC[C@H]2[NH2+]CCOc1cccnc1 ZINC000095422454 184976486 /nfs/dbraw/zinc/97/64/86/184976486.db2.gz UMBMUPOSUZZNJK-OAHLLOKOSA-N 1 0 286.400 3.287 50 0 CGAARO CCc1cc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)[nH]n1 ZINC000095437375 184985635 /nfs/dbraw/zinc/98/56/35/184985635.db2.gz SFKGRXQCRLEZAT-UHFFFAOYSA-N 1 0 299.296 3.002 50 0 CGAARO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cncs1 ZINC000191665108 285394600 /nfs/dbraw/zinc/39/46/00/285394600.db2.gz RSARNRVGNGDEIB-CYBMUJFWSA-N 1 0 260.362 3.016 50 0 CGAARO C[C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000757179 391911018 /nfs/dbraw/zinc/91/10/18/391911018.db2.gz MVZYFQAJTIFKAW-UONOGXRCSA-N 1 0 262.372 3.136 50 0 CGAARO C/C=C1/C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc21 ZINC000075343946 392216491 /nfs/dbraw/zinc/21/64/91/392216491.db2.gz TWRIMOCPODQOBZ-JQZVAUCNSA-N 1 0 294.398 3.309 50 0 CGAARO COc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000097159417 392260686 /nfs/dbraw/zinc/26/06/86/392260686.db2.gz XHJGOOVVNDZCIV-UHFFFAOYSA-N 1 0 273.380 3.006 50 0 CGAARO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccn1 ZINC000245339024 131084974 /nfs/dbraw/zinc/08/49/74/131084974.db2.gz PZUJCWBWZXOFPA-JYJNAYRXSA-N 1 0 287.451 3.385 50 0 CGAARO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cnn(C)c2)c1 ZINC000328587289 392676380 /nfs/dbraw/zinc/67/63/80/392676380.db2.gz VYHBPWSGRZIAMS-GUYCJALGSA-N 1 0 285.391 3.012 50 0 CGAARO Cc1cc(C[NH+]2CCC3(CCc4ccccc43)CC2)on1 ZINC000216529794 392991291 /nfs/dbraw/zinc/99/12/91/392991291.db2.gz WXVCCCDHUYLVHA-UHFFFAOYSA-N 1 0 282.387 3.463 50 0 CGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940969 393550133 /nfs/dbraw/zinc/55/01/33/393550133.db2.gz FAUVIRFFLISGMS-LBPRGKRZSA-N 1 0 289.345 3.201 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[N@H+](C)Cc2cc(C)cc(C)n2)n1 ZINC000670435270 543154207 /nfs/dbraw/zinc/15/42/07/543154207.db2.gz HLYVQAKQZBCRKB-INIZCTEOSA-N 1 0 286.423 3.032 50 0 CGAARO C[C@H](CCn1cccn1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000670454623 543155656 /nfs/dbraw/zinc/15/56/56/543155656.db2.gz LFQPYTCZZPTSFN-MRXNPFEDSA-N 1 0 298.434 3.011 50 0 CGAARO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCCCO1 ZINC000670455856 543155871 /nfs/dbraw/zinc/15/58/71/543155871.db2.gz NUVVYCURFCOBOO-HNNXBMFYSA-N 1 0 276.355 3.308 50 0 CGAARO Cn1ccc2cc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)ccc21 ZINC000670457978 543156952 /nfs/dbraw/zinc/15/69/52/543156952.db2.gz VMQICJJLIQHKBC-INIZCTEOSA-N 1 0 294.402 3.281 50 0 CGAARO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C1 ZINC000108116113 397653096 /nfs/dbraw/zinc/65/30/96/397653096.db2.gz FFZBMJZKKZYUED-RBSFLKMASA-N 1 0 298.496 3.041 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC000119987862 287176095 /nfs/dbraw/zinc/17/60/95/287176095.db2.gz FZQRUMPNSSGRQJ-HNNXBMFYSA-N 1 0 260.381 3.198 50 0 CGAARO C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000002168026 169778821 /nfs/dbraw/zinc/77/88/21/169778821.db2.gz GYJOCHRATGGAMO-OAHLLOKOSA-N 1 0 271.360 3.207 50 0 CGAARO CC[C@H](C)[NH2+]CCOCCOc1cc(C)cc(C)c1C ZINC000002822296 169834524 /nfs/dbraw/zinc/83/45/24/169834524.db2.gz FSVXUECLDXXNJE-HNNXBMFYSA-N 1 0 279.424 3.395 50 0 CGAARO CCC(=O)c1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000004842945 170028734 /nfs/dbraw/zinc/02/87/34/170028734.db2.gz GHRKLZXKEBBDNY-UHFFFAOYSA-N 1 0 275.392 3.390 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)C)cc(C)c1Cl ZINC000005052079 170061727 /nfs/dbraw/zinc/06/17/27/170061727.db2.gz LXMZZZVPZWEFEV-GFCCVEGCSA-N 1 0 285.815 3.085 50 0 CGAARO C[NH+](C)C[C@@H]1CCCC[C@]1(O)c1cccc(Cl)c1 ZINC000005719553 170132736 /nfs/dbraw/zinc/13/27/36/170132736.db2.gz YCYVEJKHHUUACO-ZFWWWQNUSA-N 1 0 267.800 3.279 50 0 CGAARO Cc1cc(NC(=O)[C@H]([NH2+]C2CCCC2)c2ccccc2)no1 ZINC000008704327 170347726 /nfs/dbraw/zinc/34/77/26/170347726.db2.gz QPMAHIHRLOICCH-MRXNPFEDSA-N 1 0 299.374 3.195 50 0 CGAARO Cc1ccccc1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000008734516 170352102 /nfs/dbraw/zinc/35/21/02/170352102.db2.gz QXPYMHKWIBBHNZ-ZIAGYGMSSA-N 1 0 260.406 3.499 50 0 CGAARO CCN1CC[NH+](CCCCOc2ccc(Cl)cc2)CC1 ZINC000020322793 171150212 /nfs/dbraw/zinc/15/02/12/171150212.db2.gz CJEOJSKCWLJVIA-UHFFFAOYSA-N 1 0 296.842 3.137 50 0 CGAARO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)c1 ZINC000020563965 171253238 /nfs/dbraw/zinc/25/32/38/171253238.db2.gz ZBMJDYXUBAYFRZ-OAHLLOKOSA-N 1 0 287.407 3.005 50 0 CGAARO Clc1c(OCCN2CCOCC2)ccc2ccccc21 ZINC000020639488 171268977 /nfs/dbraw/zinc/26/89/77/171268977.db2.gz KGKJAIGQVZSLNZ-UHFFFAOYSA-N 1 0 291.778 3.204 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000020928131 171280272 /nfs/dbraw/zinc/28/02/72/171280272.db2.gz CPGCJOVQRYKFOU-UHFFFAOYSA-N 1 0 262.740 3.033 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000022752155 171397469 /nfs/dbraw/zinc/39/74/69/171397469.db2.gz FPUWCTVNLWJALX-HNNXBMFYSA-N 1 0 286.375 3.093 50 0 CGAARO C[N@H+](Cn1c2ccccc2oc1=O)[C@H]1CCc2ccccc21 ZINC000022758229 171398005 /nfs/dbraw/zinc/39/80/05/171398005.db2.gz ICRNLWRAKYDDLI-HNNXBMFYSA-N 1 0 294.354 3.171 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968723 172836770 /nfs/dbraw/zinc/83/67/70/172836770.db2.gz LHJJKSLHILMBJN-CYBMUJFWSA-N 1 0 277.368 3.184 50 0 CGAARO Clc1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580896 174148389 /nfs/dbraw/zinc/14/83/89/174148389.db2.gz CDGTWHSGYHVEGS-QMMMGPOBSA-N 1 0 290.588 3.091 50 0 CGAARO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000038857460 174158295 /nfs/dbraw/zinc/15/82/95/174158295.db2.gz NGFGKZVIEZDGOT-CQSZACIVSA-N 1 0 294.826 3.078 50 0 CGAARO c1c2ccc3ccccc3n2c[n+]1Cc1ccccc1 ZINC000038880232 174158985 /nfs/dbraw/zinc/15/89/85/174158985.db2.gz BGOLGQDGFQTAEX-UHFFFAOYSA-N 1 0 259.332 3.428 50 0 CGAARO C[NH2+]CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000039947598 174176181 /nfs/dbraw/zinc/17/61/81/174176181.db2.gz UGFJYAAJUMUUDD-UHFFFAOYSA-N 1 0 262.328 3.413 50 0 CGAARO C[NH+](C)Cc1ccccc1NC(=O)CSC(C)(C)C ZINC000040089011 174188762 /nfs/dbraw/zinc/18/87/62/174188762.db2.gz QLUOQXVISKKSOR-UHFFFAOYSA-N 1 0 280.437 3.218 50 0 CGAARO Brc1ccc(SC[C@@H]2CCC[NH2+]2)cc1 ZINC000043497329 175057992 /nfs/dbraw/zinc/05/79/92/175057992.db2.gz QZKDADRRVBBPHI-JTQLQIEISA-N 1 0 272.211 3.293 50 0 CGAARO c1ccc2[nH]c(SCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000043499371 175058404 /nfs/dbraw/zinc/05/84/04/175058404.db2.gz MAUCOGPTDHYBQQ-NSHDSACASA-N 1 0 261.394 3.187 50 0 CGAARO Fc1ccc(OCCC[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000046092741 175393162 /nfs/dbraw/zinc/39/31/62/175393162.db2.gz GIBQXNOONLCXSG-CQSZACIVSA-N 1 0 293.382 3.096 50 0 CGAARO Cc1cccc(CNC2=[NH+]CCNC23CCC(C)CC3)c1 ZINC000046153095 175393418 /nfs/dbraw/zinc/39/34/18/175393418.db2.gz LUCSZXBXGRADBF-UHFFFAOYSA-N 1 0 285.435 3.035 50 0 biogenic CGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2ccncc2)s1 ZINC000063869487 175689235 /nfs/dbraw/zinc/68/92/35/175689235.db2.gz QLOYROLJKJXZFX-UHFFFAOYSA-N 1 0 289.448 3.015 50 0 CGAARO C[C@H](c1cccc(O)c1)[N@H+](C)CCc1ccncc1 ZINC000071897181 176292416 /nfs/dbraw/zinc/29/24/16/176292416.db2.gz VKRLOVUTGYZBGC-CYBMUJFWSA-N 1 0 256.349 3.023 50 0 CGAARO CC(C)(C)SCC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000071915000 176298862 /nfs/dbraw/zinc/29/88/62/176298862.db2.gz QGLOJBHLKSYFGQ-UHFFFAOYSA-N 1 0 298.496 3.041 50 0 CGAARO c1ncn(Cc2ccccc2)c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072156569 176328883 /nfs/dbraw/zinc/32/88/83/176328883.db2.gz FMQMLVZHZKVZSR-HDICACEKSA-N 1 0 293.414 3.329 50 0 CGAARO c1ccc(Nc2cc(CC[C@@H]3CCC[NH2+]C3)ccn2)nc1 ZINC000072343489 176372293 /nfs/dbraw/zinc/37/22/93/176372293.db2.gz XUTIGCAHECFJBE-HNNXBMFYSA-N 1 0 282.391 3.152 50 0 CGAARO C[N@H+](Cc1ccc(Cl)c2cccnc12)CC(C)(C)O ZINC000078727900 177377439 /nfs/dbraw/zinc/37/74/39/177377439.db2.gz OXAOZUWZCFDZHY-UHFFFAOYSA-N 1 0 278.783 3.091 50 0 CGAARO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCSC1 ZINC000130642843 287360012 /nfs/dbraw/zinc/36/00/12/287360012.db2.gz NOSNFXWMKGTVIN-AWEZNQCLSA-N 1 0 273.405 3.014 50 0 CGAARO CC(=O)Nc1ccc2c(c1)[C@H]([NH+](C)C)c1ccccc1-2 ZINC000004759622 273494592 /nfs/dbraw/zinc/49/45/92/273494592.db2.gz ZHDGDMCGQFDHLP-QGZVFWFLSA-N 1 0 266.344 3.276 50 0 CGAARO C[C@@H](COc1ccccc1)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000067695667 274228942 /nfs/dbraw/zinc/22/89/42/274228942.db2.gz OZGJMHTYFHKSKE-AWEZNQCLSA-N 1 0 299.418 3.236 50 0 CGAARO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000005049854 275537123 /nfs/dbraw/zinc/53/71/23/275537123.db2.gz ZTNWSXRYBYWHTL-OAHLLOKOSA-N 1 0 291.435 3.210 50 0 CGAARO CC[N@@H+]1C[C@H](O)Cn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000000525976 276253970 /nfs/dbraw/zinc/25/39/70/276253970.db2.gz MUYNQVXAZFNNQL-GUYCJALGSA-N 1 0 284.403 3.024 50 0 biogenic CGAARO CC[NH+](CC)CCOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004198696 276327629 /nfs/dbraw/zinc/32/76/29/276327629.db2.gz 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/nfs/dbraw/zinc/12/39/66/278123966.db2.gz HETHBOQHUXYXJY-INIZCTEOSA-N 1 0 275.417 3.013 50 0 CGAARO CCCC[C@H](CC)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004094090 278733532 /nfs/dbraw/zinc/73/35/32/278733532.db2.gz ZPDBNCKBKRZZEB-HRCADAONSA-N 1 0 269.429 3.430 50 0 CGAARO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000032561056 279863263 /nfs/dbraw/zinc/86/32/63/279863263.db2.gz RMUYYGBRKXYDEH-BXUZGUMPSA-N 1 0 289.341 3.243 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nccnc2C)C1 ZINC000219171432 280052808 /nfs/dbraw/zinc/05/28/08/280052808.db2.gz KJEWUVXLQZGSCP-RWMBFGLXSA-N 1 0 265.426 3.110 50 0 CGAARO c1ccc(COc2ccc3c(c2)O[C@@]2(C=C3)CC[NH2+]C2)cc1 ZINC000036141902 280479773 /nfs/dbraw/zinc/47/97/73/280479773.db2.gz ZAETYPVNHYAERE-IBGZPJMESA-N 1 0 293.366 3.403 50 0 CGAARO Cc1ccc2[nH]c(C3CCC(C[NH3+])CC3)nc2c1C ZINC000019737168 281024954 /nfs/dbraw/zinc/02/49/54/281024954.db2.gz RUNYFSNGZSEYBT-UHFFFAOYSA-N 1 0 257.381 3.412 50 0 CGAARO 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285.387 3.330 50 0 CGAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCCCC1 ZINC000000285838 368333162 /nfs/dbraw/zinc/33/31/62/368333162.db2.gz XPIQAAHSQFWBDD-QGZVFWFLSA-N 1 0 285.387 3.065 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC000000291985 368334832 /nfs/dbraw/zinc/33/48/32/368334832.db2.gz KQZWBIAMOJVZGT-MRXNPFEDSA-N 1 0 275.392 3.024 50 0 CGAARO COc1ccc(OCC[N@H+](C)Cc2ccccc2)cc1 ZINC000000311699 368339528 /nfs/dbraw/zinc/33/95/28/368339528.db2.gz GEHLCXBOLCJOMP-UHFFFAOYSA-N 1 0 271.360 3.206 50 0 CGAARO O[C@H]1CCC[C@]1([NH2+]Cc1ccccc1)c1ccccc1 ZINC000000337410 368343093 /nfs/dbraw/zinc/34/30/93/368343093.db2.gz SUUCMHHUDJQGKG-ROUUACIJSA-N 1 0 267.372 3.217 50 0 CGAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000000351440 368345832 /nfs/dbraw/zinc/34/58/32/368345832.db2.gz BCDUKYOLZBEARP-QGZVFWFLSA-N 1 0 291.435 3.083 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000000517474 368383115 /nfs/dbraw/zinc/38/31/15/368383115.db2.gz OFWRWKIOGHBYNK-JKSUJKDBSA-N 1 0 273.376 3.108 50 0 CGAARO Cc1ccc2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000002125002 368447299 /nfs/dbraw/zinc/44/72/99/368447299.db2.gz PEECVRVLAKJKOM-UHFFFAOYSA-N 1 0 257.333 3.087 50 0 biogenic CGAARO CC[NH+](CC)CCOC(=O)Nc1ccccc1Cl ZINC000001671724 368428900 /nfs/dbraw/zinc/42/89/00/368428900.db2.gz PKVILUPAKVSWTN-UHFFFAOYSA-N 1 0 270.760 3.230 50 0 CGAARO C[NH+](CCC(=O)c1ccccc1)CCC(=O)c1ccccc1 ZINC000001683229 368431516 /nfs/dbraw/zinc/43/15/16/368431516.db2.gz FCEMMQWGASQRTL-UHFFFAOYSA-N 1 0 295.382 3.464 50 0 CGAARO CC[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000002638905 368471283 /nfs/dbraw/zinc/47/12/83/368471283.db2.gz WVDCPLRFSIIWDP-UHFFFAOYSA-N 1 0 270.332 3.027 50 0 CGAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000002694396 368472342 /nfs/dbraw/zinc/47/23/42/368472342.db2.gz GSORGCKTOGAQPD-JKSUJKDBSA-N 1 0 291.435 3.426 50 0 CGAARO Cc1ccc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2c1 ZINC000002432494 368454815 /nfs/dbraw/zinc/45/48/15/368454815.db2.gz JAXZGSCJCFIZPA-UHFFFAOYSA-N 1 0 271.360 3.333 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000002764892 368476584 /nfs/dbraw/zinc/47/65/84/368476584.db2.gz UJBXQXMIVAZKKU-UHFFFAOYSA-N 1 0 268.788 3.401 50 0 CGAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)C1CCCC1 ZINC000002514928 368458931 /nfs/dbraw/zinc/45/89/31/368458931.db2.gz XSRLKBKMQGDTAT-UHFFFAOYSA-N 1 0 255.361 3.431 50 0 CGAARO C[NH+]1CCC(c2cccc(Cl)c2)(C(C)(C)O)CC1 ZINC000002529361 368461536 /nfs/dbraw/zinc/46/15/36/368461536.db2.gz YVXGBNBBVKVMIA-UHFFFAOYSA-N 1 0 267.800 3.074 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000003291437 368500318 /nfs/dbraw/zinc/50/03/18/368500318.db2.gz UMYUOJPPUCNLQB-RYUDHWBXSA-N 1 0 297.345 3.449 50 0 CGAARO C[C@H]([NH2+]CC[C@@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000004045986 368528690 /nfs/dbraw/zinc/52/86/90/368528690.db2.gz MZPCNGTVMWCXKX-SWLSCSKDSA-N 1 0 283.437 3.109 50 0 biogenic CGAARO COCC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000003461003 368508256 /nfs/dbraw/zinc/50/82/56/368508256.db2.gz DNNYAWSUBSZPJZ-UHFFFAOYSA-N 1 0 285.387 3.359 50 0 CGAARO CC[NH+](CC)CC(=O)Nc1ccc(C)cc1Br ZINC000004272413 368538931 /nfs/dbraw/zinc/53/89/31/368538931.db2.gz HMMVNEPXUMQXDQ-UHFFFAOYSA-N 1 0 299.212 3.038 50 0 CGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccoc1 ZINC000010457062 368581989 /nfs/dbraw/zinc/58/19/89/368581989.db2.gz WWJUGYRCIQXGSU-UHFFFAOYSA-N 1 0 298.386 3.196 50 0 CGAARO c1c[nH]c(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)n1 ZINC000012302188 368607780 /nfs/dbraw/zinc/60/77/80/368607780.db2.gz BUIYDFRGNIEZSZ-MRXNPFEDSA-N 1 0 269.392 3.255 50 0 CGAARO CC(C)(C)OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000012384479 368611963 /nfs/dbraw/zinc/61/19/63/368611963.db2.gz CPNRZJGFJXKCSZ-ZDUSSCGKSA-N 1 0 271.445 3.206 50 0 CGAARO O[C@H](C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000016477532 368713372 /nfs/dbraw/zinc/71/33/72/368713372.db2.gz SQSICFBIMOMLFW-OAHLLOKOSA-N 1 0 261.752 3.163 50 0 CGAARO Cn1cc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)cn1 ZINC000019842225 368771756 /nfs/dbraw/zinc/77/17/56/368771756.db2.gz JCOYDMXAJOSYHJ-HNNXBMFYSA-N 1 0 289.448 3.469 50 0 CGAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000019229128 368745613 /nfs/dbraw/zinc/74/56/13/368745613.db2.gz RMXCZLHVLVGRJM-CQSZACIVSA-N 1 0 263.429 3.444 50 0 CGAARO CCC[NH+](CCC)CP(=O)(OCC)OCC ZINC000019300314 368748161 /nfs/dbraw/zinc/74/81/61/368748161.db2.gz VNCJQHQJRCVIIY-UHFFFAOYSA-N 1 0 251.307 3.332 50 0 CGAARO CCOc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1OC ZINC000023281441 368820268 /nfs/dbraw/zinc/82/02/68/368820268.db2.gz GWTMSMICFDELKP-CYBMUJFWSA-N 1 0 263.381 3.326 50 0 CGAARO C[NH+](C)C1(CNC(=O)/C=C/c2ccccc2)CCCCC1 ZINC000027795383 368875165 /nfs/dbraw/zinc/87/51/65/368875165.db2.gz UZPABSIFYOXYHA-VAWYXSNFSA-N 1 0 286.419 3.081 50 0 CGAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000030908537 368909177 /nfs/dbraw/zinc/90/91/77/368909177.db2.gz FPEOLOKJTQLCHX-LLVKDONJSA-N 1 0 281.812 3.302 50 0 CGAARO C[C@@H](CCO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000032254338 368929329 /nfs/dbraw/zinc/92/93/29/368929329.db2.gz FPUVNQMAVOHHKI-INIZCTEOSA-N 1 0 269.388 3.460 50 0 CGAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc(Cl)cc1 ZINC000032934686 368953924 /nfs/dbraw/zinc/95/39/24/368953924.db2.gz IQHNUCHWNOCUPF-CQSZACIVSA-N 1 0 297.830 3.438 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+]Cc1c[nH]nc1C ZINC000037989188 369135233 /nfs/dbraw/zinc/13/52/33/369135233.db2.gz BVQBYELDYIKUSM-UHFFFAOYSA-N 1 0 281.359 3.170 50 0 CGAARO CC1CCN(CC[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000040771021 369162660 /nfs/dbraw/zinc/16/26/60/369162660.db2.gz LBQAYAUQWHRMPM-UHFFFAOYSA-N 1 0 266.816 3.162 50 0 CGAARO CC1(C)CC(Nc2cnc3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000041873407 369197559 /nfs/dbraw/zinc/19/75/59/369197559.db2.gz INOJXFBXBBNIPC-UHFFFAOYSA-N 1 0 284.407 3.351 50 0 CGAARO CCc1nc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cs1 ZINC000042123782 369201856 /nfs/dbraw/zinc/20/18/56/369201856.db2.gz AKEKLSUCDDYDGM-JTQLQIEISA-N 1 0 250.411 3.468 50 0 CGAARO Brc1cccc(COCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042773863 369232546 /nfs/dbraw/zinc/23/25/46/369232546.db2.gz YJRCONIZLTWSTK-LBPRGKRZSA-N 1 0 298.224 3.355 50 0 CGAARO C[C@@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCC1 ZINC000042505139 369222898 /nfs/dbraw/zinc/22/28/98/369222898.db2.gz VHAPNGQSMAMWEF-LBPRGKRZSA-N 1 0 288.416 3.115 50 0 CGAARO CCOc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000042976521 369239673 /nfs/dbraw/zinc/23/96/73/369239673.db2.gz IHXKBQYVVCYEDZ-MRXNPFEDSA-N 1 0 263.381 3.086 50 0 CGAARO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000047324892 369312436 /nfs/dbraw/zinc/31/24/36/369312436.db2.gz DPBQJXPCYQKFTG-LBPRGKRZSA-N 1 0 295.814 3.193 50 0 CGAARO Cc1ccc(C[NH2+]CCOc2ccccc2)c(C)c1 ZINC000048298241 369339833 /nfs/dbraw/zinc/33/98/33/369339833.db2.gz VQRPURQQXQMFDB-UHFFFAOYSA-N 1 0 255.361 3.472 50 0 CGAARO CSc1ccccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000057159980 369531841 /nfs/dbraw/zinc/53/18/41/369531841.db2.gz CBKXSIKLOKLEIY-UHFFFAOYSA-N 1 0 294.464 3.257 50 0 CGAARO CC1(C)[C@H]([NH2+]CCc2c[nH]c3ccccc23)[C@@H]2CCO[C@H]21 ZINC000230267363 189808691 /nfs/dbraw/zinc/80/86/91/189808691.db2.gz UKYIHJVSFQCJAC-USXIJHARSA-N 1 0 284.403 3.114 50 0 CGAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccccn1 ZINC000055074064 369510666 /nfs/dbraw/zinc/51/06/66/369510666.db2.gz VMMGMDOOUJRPOV-UHFFFAOYSA-N 1 0 270.376 3.039 50 0 CGAARO CCCCC[NH+]1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000055254856 369513227 /nfs/dbraw/zinc/51/32/27/369513227.db2.gz JYKDQKVQZPJNHH-UHFFFAOYSA-N 1 0 276.428 3.058 50 0 CGAARO CC[C@@H](C)C[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055255356 369513727 /nfs/dbraw/zinc/51/37/27/369513727.db2.gz FAGFCRCADXJJFY-CQSZACIVSA-N 1 0 278.444 3.160 50 0 CGAARO Clc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000065372722 369669598 /nfs/dbraw/zinc/66/95/98/369669598.db2.gz JNLKKOQNPSADFI-OAHLLOKOSA-N 1 0 289.810 3.449 50 0 CGAARO O=C1CCCCN1c1cccc(C[NH2+]C2CCCC2)c1 ZINC000067249592 369714722 /nfs/dbraw/zinc/71/47/22/369714722.db2.gz RIFSTZHRHOYBPU-UHFFFAOYSA-N 1 0 272.392 3.236 50 0 CGAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000065405108 369674666 /nfs/dbraw/zinc/67/46/66/369674666.db2.gz DSIGDMXGDKVQSA-AWEZNQCLSA-N 1 0 282.387 3.080 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000065453227 369676940 /nfs/dbraw/zinc/67/69/40/369676940.db2.gz DVFUPLJYDUYLAO-HNNXBMFYSA-N 1 0 271.360 3.152 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N(C)C)s1 ZINC000065478908 369679631 /nfs/dbraw/zinc/67/96/31/369679631.db2.gz KCTJSOPAOUFCLC-LBPRGKRZSA-N 1 0 292.452 3.015 50 0 CGAARO FCCC[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067603938 369721945 /nfs/dbraw/zinc/72/19/45/369721945.db2.gz SCJHGFJOBNOTGP-UHFFFAOYSA-N 1 0 278.302 3.198 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000067982081 369738715 /nfs/dbraw/zinc/73/87/15/369738715.db2.gz KFHOIRSEBOYTIH-CYBMUJFWSA-N 1 0 289.423 3.473 50 0 CGAARO CCCN(C(=O)c1coc2ccccc12)C1CC[NH2+]CC1 ZINC000070392846 369797991 /nfs/dbraw/zinc/79/79/91/369797991.db2.gz SSSSTJABGFMDKR-UHFFFAOYSA-N 1 0 286.375 3.037 50 0 CGAARO FC(F)(F)c1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000089800395 370047810 /nfs/dbraw/zinc/04/78/10/370047810.db2.gz KRGBVPHJUJGEOC-UHFFFAOYSA-N 1 0 270.254 3.442 50 0 CGAARO c1cc(CNc2cccc(C[NH+]3CCCCC3)c2)n[nH]1 ZINC000089780583 370047843 /nfs/dbraw/zinc/04/78/43/370047843.db2.gz OYCYOCSXPVETAI-UHFFFAOYSA-N 1 0 270.380 3.008 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000089657357 370044631 /nfs/dbraw/zinc/04/46/31/370044631.db2.gz OUGSZKXHKALLPS-QGZVFWFLSA-N 1 0 299.418 3.463 50 0 CGAARO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521420 370062222 /nfs/dbraw/zinc/06/22/22/370062222.db2.gz RZNLSORPQKBZDN-PBHICJAKSA-N 1 0 287.407 3.157 50 0 CGAARO COc1ccc([C@H]2CC[N@H+](Cc3scnc3C)C2)cc1 ZINC000092783596 370099702 /nfs/dbraw/zinc/09/97/02/370099702.db2.gz HKBHYKLWCMGPCY-AWEZNQCLSA-N 1 0 288.416 3.450 50 0 CGAARO C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000089894504 370050268 /nfs/dbraw/zinc/05/02/68/370050268.db2.gz ZLYYBERASHVLAJ-HOCLYGCPSA-N 1 0 294.483 3.249 50 0 CGAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)s1 ZINC000095387218 370180405 /nfs/dbraw/zinc/18/04/05/370180405.db2.gz BIGVRJKCOOTHMJ-AWEZNQCLSA-N 1 0 251.395 3.059 50 0 CGAARO C[C@@]1(CO)CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093340625 370118473 /nfs/dbraw/zinc/11/84/73/370118473.db2.gz PJBWSQNRVSLZBP-MRXNPFEDSA-N 1 0 275.417 3.496 50 0 CGAARO COc1ccc(CN2CCC[N@H+](CCC(C)C)CC2)cc1 ZINC000097134900 370229338 /nfs/dbraw/zinc/22/93/38/370229338.db2.gz BKKWJTWOVWYSRL-UHFFFAOYSA-N 1 0 290.451 3.249 50 0 CGAARO COCc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)ncn1 ZINC000097528837 370245693 /nfs/dbraw/zinc/24/56/93/370245693.db2.gz LNCWWGVGMBCGSJ-CQSZACIVSA-N 1 0 297.402 3.447 50 0 CGAARO COc1cc(CN(C)Cc2cc(C3CC3)on2)ccc1F ZINC000097674334 370250212 /nfs/dbraw/zinc/25/02/12/370250212.db2.gz CYLQJVAHCTYAIF-UHFFFAOYSA-N 1 0 290.338 3.332 50 0 CGAARO C[C@@H]([NH2+]CCSCc1ccccc1)c1cnccn1 ZINC000095419424 370186622 /nfs/dbraw/zinc/18/66/22/370186622.db2.gz PBJSWYNMBQIZBF-CYBMUJFWSA-N 1 0 273.405 3.061 50 0 CGAARO c1ccc2c(c1)SC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095420477 370188222 /nfs/dbraw/zinc/18/82/22/370188222.db2.gz YILNUZLPDPPEAS-GUTXKFCHSA-N 1 0 274.433 3.050 50 0 CGAARO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccsc1 ZINC000095422951 370190055 /nfs/dbraw/zinc/19/00/55/370190055.db2.gz JLAWGFRNUXXIGL-ABAIWWIYSA-N 1 0 279.380 3.141 50 0 CGAARO CCN1CCC([N@H+](C)CCCCC(F)(F)F)CC1 ZINC000095433832 370192659 /nfs/dbraw/zinc/19/26/59/370192659.db2.gz UIDBIWYXHGUELQ-UHFFFAOYSA-N 1 0 266.351 3.135 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000095448931 370195392 /nfs/dbraw/zinc/19/53/92/370195392.db2.gz SNWVKMPOUHWWDZ-ONGXEEELSA-N 1 0 282.434 3.115 50 0 CGAARO CC(C)COC[C@H]([NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000095454550 370196771 /nfs/dbraw/zinc/19/67/71/370196771.db2.gz RMLLRVZJAFXWQO-KGLIPLIRSA-N 1 0 283.437 3.479 50 0 CGAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1O ZINC000095467758 370198238 /nfs/dbraw/zinc/19/82/38/370198238.db2.gz MGJZOEVWELQRCB-KGLIPLIRSA-N 1 0 294.464 3.249 50 0 CGAARO CSc1cccc(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000097756396 370252109 /nfs/dbraw/zinc/25/21/09/370252109.db2.gz UISIJOPYLHAIKN-HNNXBMFYSA-N 1 0 278.465 3.325 50 0 CGAARO COc1ccc(-c2ccc([C@H](C)[NH+](C)C)cc2)cc1C(N)=O ZINC000096163347 370205187 /nfs/dbraw/zinc/20/51/87/370205187.db2.gz UQMFSVLLLCBPBR-LBPRGKRZSA-N 1 0 298.386 3.084 50 0 CGAARO C[N@@H+]1CCCC[C@@H]1C(=O)N(C/C=C/c1ccccc1)C1CC1 ZINC000097773105 370254989 /nfs/dbraw/zinc/25/49/89/370254989.db2.gz OMQHEEQZFGCJFO-RUJXFNLJSA-N 1 0 298.430 3.175 50 0 CGAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000134786876 371363712 /nfs/dbraw/zinc/36/37/12/371363712.db2.gz KHBKKIATPQCVTG-HNKHHVNMSA-N 1 0 289.423 3.072 50 0 CGAARO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCCOC2)cc1 ZINC000153648299 321723768 /nfs/dbraw/zinc/72/37/68/321723768.db2.gz QGXFEVLQGLRLTO-MRXNPFEDSA-N 1 0 261.409 3.295 50 0 CGAARO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161703169 372347653 /nfs/dbraw/zinc/34/76/53/372347653.db2.gz IJMPVBHJGLGVJY-GXFFZTMASA-N 1 0 298.789 3.141 50 0 CGAARO O[C@@H](c1ccccc1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000170088111 372634667 /nfs/dbraw/zinc/63/46/67/372634667.db2.gz GGCOLRVNUCERRM-ROUUACIJSA-N 1 0 289.419 3.001 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000170088209 372634689 /nfs/dbraw/zinc/63/46/89/372634689.db2.gz CNYLBGQCNMPGAD-WMLDXEAASA-N 1 0 285.391 3.092 50 0 CGAARO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccccc1F ZINC000170593015 372639473 /nfs/dbraw/zinc/63/94/73/372639473.db2.gz LGJSKEKLDKWOTR-QGZVFWFLSA-N 1 0 292.398 3.125 50 0 CGAARO c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000301055349 373641040 /nfs/dbraw/zinc/64/10/40/373641040.db2.gz CEBNSPDBANSXTF-UHFFFAOYSA-N 1 0 274.412 3.077 50 0 CGAARO Fc1cccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)c1 ZINC000084610094 541933748 /nfs/dbraw/zinc/93/37/48/541933748.db2.gz XQKBZBMCFZYOMG-QGZVFWFLSA-N 1 0 286.350 3.012 50 0 CGAARO CC(C)c1ccc2c(c1)CCCN2C(=O)CC[C@@H](C)[NH3+] ZINC000193194740 375838679 /nfs/dbraw/zinc/83/86/79/375838679.db2.gz GUOHVNGYMKFQLE-CYBMUJFWSA-N 1 0 274.408 3.217 50 0 CGAARO Cc1nnc([C@@H](C)SCC[N@H+](C)Cc2ccccc2)o1 ZINC000193621772 375901104 /nfs/dbraw/zinc/90/11/04/375901104.db2.gz WFVZZPHKCPIXDU-GFCCVEGCSA-N 1 0 291.420 3.304 50 0 CGAARO CCCc1ccc(C[N@@H+]2CCC[C@H](COC)C2)o1 ZINC000215775629 376152125 /nfs/dbraw/zinc/15/21/25/376152125.db2.gz BUQXONFKMGMMSE-ZDUSSCGKSA-N 1 0 251.370 3.091 50 0 CGAARO COc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)ccc1F ZINC000216185119 376158452 /nfs/dbraw/zinc/15/84/52/376158452.db2.gz FWLJQPGZIPDFIY-LBPRGKRZSA-N 1 0 274.339 3.422 50 0 CGAARO COc1cccc([C@H]2CC[N@@H+]2CCCc2cccnc2)c1 ZINC000244758139 376795470 /nfs/dbraw/zinc/79/54/70/376795470.db2.gz OTBXSZLHHSOOFK-GOSISDBHSA-N 1 0 282.387 3.470 50 0 CGAARO CCCO[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc3C2)C1 ZINC000244811410 376796281 /nfs/dbraw/zinc/79/62/81/376796281.db2.gz SCBWZQBYFRWOSB-ROUUACIJSA-N 1 0 273.420 3.435 50 0 CGAARO CC(C)c1cc(C[N@H+](C)C2CCSCC2)on1 ZINC000244594312 376792345 /nfs/dbraw/zinc/79/23/45/376792345.db2.gz DKUIYSKBGSGRGC-UHFFFAOYSA-N 1 0 254.399 3.125 50 0 CGAARO CN1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@H]1c1ccc(Cl)cc1 ZINC000245807479 376913955 /nfs/dbraw/zinc/91/39/55/376913955.db2.gz BSYMGZQRIWDMRZ-HZPDHXFCSA-N 1 0 289.810 3.203 50 0 CGAARO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000248889901 377421982 /nfs/dbraw/zinc/42/19/82/377421982.db2.gz ASPINFYSJIKKTD-VBNZEHGJSA-N 1 0 285.391 3.440 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC1CCCC1 ZINC000249684749 377522234 /nfs/dbraw/zinc/52/22/34/377522234.db2.gz FBYPWFBDWMIOBU-JKSUJKDBSA-N 1 0 278.440 3.042 50 0 CGAARO [NH3+]C[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000011891724 170454852 /nfs/dbraw/zinc/45/48/52/170454852.db2.gz KSAYRSQZHOMJDQ-CQSZACIVSA-N 1 0 268.360 3.264 50 0 CGAARO Cc1ccc(Cn2c[n+](Cc3ccccc3Cl)cn2)cc1 ZINC000252478274 377625423 /nfs/dbraw/zinc/62/54/23/377625423.db2.gz AHULTCPBULZBAE-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO CCc1cnc([C@@H](C)[NH2+]CCSC(C)C)s1 ZINC000253393606 377688715 /nfs/dbraw/zinc/68/87/15/377688715.db2.gz SXCIYWWLOXYGQB-SNVBAGLBSA-N 1 0 258.456 3.498 50 0 CGAARO CC(C)[NH+]1CCC(F)(c2nc(-c3ccccc3)no2)CC1 ZINC000253408454 377688888 /nfs/dbraw/zinc/68/88/88/377688888.db2.gz KTBPJAKBRRFUHV-UHFFFAOYSA-N 1 0 289.354 3.406 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1sccc1C ZINC000253598339 377700865 /nfs/dbraw/zinc/70/08/65/377700865.db2.gz IOPGFDMOEJNSMP-UONOGXRCSA-N 1 0 292.448 3.145 50 0 CGAARO COc1ccc([C@@H]([NH2+]Cc2ncccc2O)C(C)C)cc1 ZINC000408516871 380014702 /nfs/dbraw/zinc/01/47/02/380014702.db2.gz IFFYSLBKRCIDFL-KRWDZBQOSA-N 1 0 286.375 3.283 50 0 CGAARO Cc1ccccc1Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000283992491 380113557 /nfs/dbraw/zinc/11/35/57/380113557.db2.gz PTJCKYSFTPFNOR-UHFFFAOYSA-N 1 0 297.402 3.311 50 0 CGAARO OC1(C[NH2+]Cc2cc3ccccc3s2)CCSCC1 ZINC000089873108 184616176 /nfs/dbraw/zinc/61/61/76/184616176.db2.gz RQSGNBIGGPBBNP-UHFFFAOYSA-N 1 0 293.457 3.249 50 0 CGAARO C[C@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000281698386 195342050 /nfs/dbraw/zinc/34/20/50/195342050.db2.gz SOSFAGSMJRHMOJ-FZMZJTMJSA-N 1 0 282.815 3.381 50 0 CGAARO c1coc([C@@H](C[NH2+]Cc2cccs2)N2CCCC2)c1 ZINC000022933769 391945867 /nfs/dbraw/zinc/94/58/67/391945867.db2.gz KEFZJRAOQGSDAX-CQSZACIVSA-N 1 0 276.405 3.268 50 0 CGAARO CCC(=O)N1CCC[N@@H+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000096414828 392251732 /nfs/dbraw/zinc/25/17/32/392251732.db2.gz ZARGTUAHZCUGEF-INIZCTEOSA-N 1 0 292.398 3.221 50 0 CGAARO C[C@H](CCn1cccn1)[NH2+]CCCn1ccc2ccccc21 ZINC000158545031 392570160 /nfs/dbraw/zinc/57/01/60/392570160.db2.gz RUCRNLZRSLNFJS-MRXNPFEDSA-N 1 0 296.418 3.296 50 0 CGAARO c1ccc2c(c1)c1c(n2Cc2ccncc2)CCC[NH2+]C1 ZINC000075567643 285525536 /nfs/dbraw/zinc/52/55/36/285525536.db2.gz JSWMNWNREAHDLT-UHFFFAOYSA-N 1 0 277.371 3.120 50 0 CGAARO Cc1nccc(C2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000670448982 543155744 /nfs/dbraw/zinc/15/57/44/543155744.db2.gz BKMWDCXDLSZCLU-UHFFFAOYSA-N 1 0 293.414 3.132 50 0 CGAARO Fc1ccc([C@H]2CC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000670455931 543155865 /nfs/dbraw/zinc/15/58/65/543155865.db2.gz WWCCNPWBNCFTKM-ZDUSSCGKSA-N 1 0 297.464 3.464 50 0 CGAARO Cc1ccc(C2=CN(O)[C@H]3CCCC[C@H]3[N+]2=O)cc1 ZINC000334157205 292090298 /nfs/dbraw/zinc/09/02/98/292090298.db2.gz CPFJHVGOGWKMMI-UONOGXRCSA-N 1 0 259.329 3.088 50 0 CGAARO COc1ccccc1[C@@]1(CC[NH3+])CCO[C@H](C(C)C)C1 ZINC000004043964 286513527 /nfs/dbraw/zinc/51/35/27/286513527.db2.gz UBPJRGWVQZCLHX-IRXDYDNUSA-N 1 0 277.408 3.117 50 0 biogenic CGAARO COCCC[NH2+]CCSc1ccc(Cl)cc1 ZINC000002510387 169797206 /nfs/dbraw/zinc/79/72/06/169797206.db2.gz CUXXMFDBRDIHNW-UHFFFAOYSA-N 1 0 259.802 3.058 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000003338991 169880710 /nfs/dbraw/zinc/88/07/10/169880710.db2.gz NZVHWGLGSMATGM-ZIAGYGMSSA-N 1 0 290.407 3.192 50 0 CGAARO CCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000004488529 169971719 /nfs/dbraw/zinc/97/17/19/169971719.db2.gz BBPXUZVSPYKSTK-ZDUSSCGKSA-N 1 0 269.772 3.007 50 0 CGAARO CCCCc1c(C)cc(C)cc1OC[C@@H](O)C[NH2+]C(C)C ZINC000004529111 169978121 /nfs/dbraw/zinc/97/81/21/169978121.db2.gz UBKQMPYQEINAKV-INIZCTEOSA-N 1 0 293.451 3.384 50 0 CGAARO CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000004743690 170009894 /nfs/dbraw/zinc/00/98/94/170009894.db2.gz SUKIMEVKOUQSFD-UHFFFAOYSA-N 1 0 280.799 3.401 50 0 CGAARO COc1cccc(CC[NH2+][C@@H](C)Cc2cccc(OC)c2)c1 ZINC000004792789 170018304 /nfs/dbraw/zinc/01/83/04/170018304.db2.gz PHMFTYHRSAOLLV-HNNXBMFYSA-N 1 0 299.414 3.467 50 0 CGAARO CCOc1cc(C=O)ccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004841432 170027774 /nfs/dbraw/zinc/02/77/74/170027774.db2.gz NRODUOIFFPEMQE-AWEZNQCLSA-N 1 0 291.391 3.009 50 0 CGAARO COc1ccc([C@H](CC[NH3+])c2ccccc2OC)cc1 ZINC000004990798 170050824 /nfs/dbraw/zinc/05/08/24/170050824.db2.gz VCHLCCPCLWXZTQ-HNNXBMFYSA-N 1 0 271.360 3.185 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccccc2F)cc1OC ZINC000005006213 170054113 /nfs/dbraw/zinc/05/41/13/170054113.db2.gz SYNXVLNJFVMICD-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO COc1ccc(CC[NH2+]CCCc2ccccc2)cc1OC ZINC000005661893 170125143 /nfs/dbraw/zinc/12/51/43/170125143.db2.gz GTEYNEDCBSUSEC-UHFFFAOYSA-N 1 0 299.414 3.469 50 0 CGAARO Cc1ccccc1-c1nnc(C[NH+]2CCCCCC2)o1 ZINC000006823244 170246369 /nfs/dbraw/zinc/24/63/69/170246369.db2.gz PQTZBWDCDXOWBO-UHFFFAOYSA-N 1 0 271.364 3.421 50 0 CGAARO COc1cccc(NC(=O)[C@@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000007376289 170280292 /nfs/dbraw/zinc/28/02/92/170280292.db2.gz ZHXFOZQKJITPKI-KRWDZBQOSA-N 1 0 298.386 3.373 50 0 CGAARO Cn1c2ccccc2nc1SCC[NH+]1CCCCC1 ZINC000007719486 170299167 /nfs/dbraw/zinc/29/91/67/170299167.db2.gz DYFHBOIDULUVED-UHFFFAOYSA-N 1 0 275.421 3.151 50 0 CGAARO Cc1ccc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000012903875 170518250 /nfs/dbraw/zinc/51/82/50/170518250.db2.gz PWNCFAACXNFQMJ-UHFFFAOYSA-N 1 0 299.418 3.079 50 0 CGAARO C[NH+](C)CCCNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000013632061 170570594 /nfs/dbraw/zinc/57/05/94/170570594.db2.gz SECVIXIJUPQQQV-UHFFFAOYSA-N 1 0 296.370 3.268 50 0 CGAARO c1ccc(OCCC[NH2+]CCOc2ccccc2)cc1 ZINC000013766768 170590848 /nfs/dbraw/zinc/59/08/48/170590848.db2.gz IHBJWORPKYVGRO-UHFFFAOYSA-N 1 0 271.360 3.124 50 0 CGAARO CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+]CCC(C)C ZINC000020158375 171040038 /nfs/dbraw/zinc/04/00/38/171040038.db2.gz YXVGUEWUPZIDOM-INIZCTEOSA-N 1 0 278.440 3.461 50 0 CGAARO C[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CC12CCC2 ZINC000020204957 171070777 /nfs/dbraw/zinc/07/07/77/171070777.db2.gz IGLXRTCFVJAZDZ-GFCCVEGCSA-N 1 0 287.382 3.367 50 0 CGAARO COc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221543 171083127 /nfs/dbraw/zinc/08/31/27/171083127.db2.gz HKPSZQQLWLNQBO-NSHDSACASA-N 1 0 269.772 3.260 50 0 CGAARO C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccnc1 ZINC000097016325 533679473 /nfs/dbraw/zinc/67/94/73/533679473.db2.gz HEPUQBGLZQOYSQ-ZDUSSCGKSA-N 1 0 258.340 3.332 50 0 CGAARO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)C1 ZINC000032533113 171732348 /nfs/dbraw/zinc/73/23/48/171732348.db2.gz FYFKKXZFIHEWGF-QZTJIDSGSA-N 1 0 288.435 3.156 50 0 CGAARO C[NH+](C)CCCNc1nc2c(cccc2Cl)s1 ZINC000036657625 172644676 /nfs/dbraw/zinc/64/46/76/172644676.db2.gz LUTAXTNVFRUBOI-UHFFFAOYSA-N 1 0 269.801 3.313 50 0 CGAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000038258992 174138259 /nfs/dbraw/zinc/13/82/59/174138259.db2.gz CBOILEULVFQPKE-ZWKOTPCHSA-N 1 0 295.382 3.075 50 0 CGAARO Clc1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000039953919 174177693 /nfs/dbraw/zinc/17/76/93/174177693.db2.gz FSKQIVVSAFWLOP-MRVPVSSYSA-N 1 0 290.588 3.091 50 0 CGAARO CC(C)[C@H](C)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000040088700 174188525 /nfs/dbraw/zinc/18/85/25/174188525.db2.gz DICARTLEGJDIEI-JTQLQIEISA-N 1 0 265.382 3.274 50 0 CGAARO CCC(CC)(CNC(=O)Nc1cccc(F)c1)[NH+](C)C ZINC000043155111 174981578 /nfs/dbraw/zinc/98/15/78/174981578.db2.gz GBDVQTCMROPYFI-UHFFFAOYSA-N 1 0 281.375 3.068 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000044791133 175254213 /nfs/dbraw/zinc/25/42/13/175254213.db2.gz QNWSHQFEYPPQBN-GFCCVEGCSA-N 1 0 296.436 3.237 50 0 CGAARO CC[C@H](C)N(Cc1ccsc1)C(=O)CC1=CC[NH2+]CC1 ZINC000055197971 175573844 /nfs/dbraw/zinc/57/38/44/175573844.db2.gz QTXPNVVNYFOVPL-ZDUSSCGKSA-N 1 0 292.448 3.185 50 0 CGAARO COc1ccc(C[N@H+](CCc2ccncc2)C2CC2)cc1 ZINC000061171038 175643011 /nfs/dbraw/zinc/64/30/11/175643011.db2.gz JYVDVBFDVWLVPO-UHFFFAOYSA-N 1 0 282.387 3.297 50 0 CGAARO Cc1[nH]c2c(cc(F)cc2CNc2cc(C)[nH+]c(N)n2)c1C ZINC000071747870 176258744 /nfs/dbraw/zinc/25/87/44/176258744.db2.gz OCDONXKGUDFMQW-UHFFFAOYSA-N 1 0 299.353 3.217 50 0 CGAARO COc1ccc(-c2cccc3c2CC[NH2+]C3)cc1OC ZINC000071752734 176260237 /nfs/dbraw/zinc/26/02/37/176260237.db2.gz JMCMNHPMVPDMSV-UHFFFAOYSA-N 1 0 269.344 3.017 50 0 CGAARO c1nn(Cc2ccccc2)cc1-c1cccc2c1CC[NH2+]C2 ZINC000072128830 176321193 /nfs/dbraw/zinc/32/11/93/176321193.db2.gz RPLHMQGZSHMZPK-UHFFFAOYSA-N 1 0 289.382 3.244 50 0 CGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C)s1 ZINC000072298388 176364109 /nfs/dbraw/zinc/36/41/09/176364109.db2.gz LIQDXUARVQUJIB-AWEZNQCLSA-N 1 0 275.421 3.440 50 0 CGAARO CC(=O)Nc1cccc(C[N@@H+](C(C)C)C2CCC2)c1 ZINC000077357065 177256998 /nfs/dbraw/zinc/25/69/98/177256998.db2.gz HNEGJTGEPDWSES-UHFFFAOYSA-N 1 0 260.381 3.408 50 0 CGAARO c1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802085 177390144 /nfs/dbraw/zinc/39/01/44/177390144.db2.gz AXFHUCVHRJVIHD-SFHVURJKSA-N 1 0 287.451 3.170 50 0 CGAARO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)s2)C[C@H]1C ZINC000685939537 544110257 /nfs/dbraw/zinc/11/02/57/544110257.db2.gz GUCMRPRBYRSRKH-PWSUYJOCSA-N 1 0 281.425 3.051 50 0 CGAARO CC1CC[NH+](CCCCOc2ccc(CO)cc2)CC1 ZINC000016488417 260098953 /nfs/dbraw/zinc/09/89/53/260098953.db2.gz KMXJIGNHICDGKX-UHFFFAOYSA-N 1 0 277.408 3.070 50 0 CGAARO CC1CC[NH+](CCCCOc2ccccc2CO)CC1 ZINC000016488913 260099158 /nfs/dbraw/zinc/09/91/58/260099158.db2.gz SYYZCNBGUVRUJV-UHFFFAOYSA-N 1 0 277.408 3.070 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757559 260127938 /nfs/dbraw/zinc/12/79/38/260127938.db2.gz LAEGLZHANONKKC-YVEFUNNKSA-N 1 0 298.361 3.430 50 0 CGAARO C[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000002844377 261292374 /nfs/dbraw/zinc/29/23/74/261292374.db2.gz NWSJGDGXSQPYML-UHFFFAOYSA-N 1 0 271.360 3.254 50 0 CGAARO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCCC1 ZINC000000110417 274467349 /nfs/dbraw/zinc/46/73/49/274467349.db2.gz KCMMFCBQZYILID-SECBINFHSA-N 1 0 287.190 3.416 50 0 CGAARO c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000023282802 275069848 /nfs/dbraw/zinc/06/98/48/275069848.db2.gz GAWVJKQEDCTMFN-MRXNPFEDSA-N 1 0 281.355 3.062 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[N@H+](CC2(C)CCC2)CC1 ZINC000225578715 277183242 /nfs/dbraw/zinc/18/32/42/277183242.db2.gz DVPDERFZIFJRKM-UHFFFAOYSA-N 1 0 282.428 3.119 50 0 CGAARO CC(C)C[NH+](CC(C)C)Cn1c2ccccc2oc1=O ZINC000000174948 277377433 /nfs/dbraw/zinc/37/74/33/277377433.db2.gz KJGMUYJTEXTBSS-UHFFFAOYSA-N 1 0 276.380 3.166 50 0 biogenic CGAARO CC1=C[C@@H](C)C2(COC(C[NH+]3CCCCC3)OC2)[C@@H](C)C1 ZINC000000238659 278503906 /nfs/dbraw/zinc/50/39/06/278503906.db2.gz OZHBBEXUFVAWPO-VEZWFGLTSA-N 1 0 293.451 3.454 50 0 CGAARO CCCn1ncnc1[C@H](C)[NH2+]C1CCCCCC1 ZINC000534642920 328329080 /nfs/dbraw/zinc/32/90/80/328329080.db2.gz ORUZVISUMNNFGF-LBPRGKRZSA-N 1 0 250.390 3.062 50 0 CGAARO C[C@@H](c1cccc(-c2ccnc(CO)c2)c1)[NH+]1CCCC1 ZINC000534647820 328342924 /nfs/dbraw/zinc/34/29/24/328342924.db2.gz HUFWMXSJKHVMEW-AWEZNQCLSA-N 1 0 282.387 3.398 50 0 CGAARO Clc1ccccc1-c1cc(C[NH2+][C@H]2CCCOC2)no1 ZINC000534670182 328347087 /nfs/dbraw/zinc/34/70/87/328347087.db2.gz ROVDMNVYVKNJDI-NSHDSACASA-N 1 0 292.766 3.264 50 0 CGAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000096477837 329526770 /nfs/dbraw/zinc/52/67/70/329526770.db2.gz ZWIFFOHVYUTKKT-XCLFUZPHSA-N 1 0 297.464 3.201 50 0 CGAARO Cc1ccc2[nH]c([C@H]3CCC[N@H+](C[C@@H]4CCOC4)C3)nc2c1 ZINC000096490591 534508755 /nfs/dbraw/zinc/50/87/55/534508755.db2.gz GDFYCQMYZHBYKK-GJZGRUSLSA-N 1 0 299.418 3.087 50 0 CGAARO Cc1ccc(-c2nc(C[N@@H+](CCO)C(C)C)c(C)o2)s1 ZINC000012315229 525809701 /nfs/dbraw/zinc/80/97/01/525809701.db2.gz PFUKTDZNDZZZFO-UHFFFAOYSA-N 1 0 294.420 3.223 50 0 CGAARO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000052861725 526653904 /nfs/dbraw/zinc/65/39/04/526653904.db2.gz XKLJWEFLYVSTPC-SNVBAGLBSA-N 1 0 297.811 3.473 50 0 CGAARO CC[N@H+](CCN[C@@H](C)c1ccc2ccccc2n1)C1CC1 ZINC000170669944 528515643 /nfs/dbraw/zinc/51/56/43/528515643.db2.gz XDUABQPQNAFBPG-AWEZNQCLSA-N 1 0 283.419 3.370 50 0 CGAARO CC/C=C(\C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000098012609 528767077 /nfs/dbraw/zinc/76/70/77/528767077.db2.gz ZGPJMHNWVBEBJJ-VGOFMYFVSA-N 1 0 290.407 3.230 50 0 CGAARO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccn2)C1 ZINC000096441701 529233112 /nfs/dbraw/zinc/23/31/12/529233112.db2.gz BONGIWSGQOJMKQ-KGLIPLIRSA-N 1 0 250.411 3.188 50 0 CGAARO C[NH+](C)CC[C@](O)(c1c[nH]c2ccccc21)c1ccccc1 ZINC000001852534 567929198 /nfs/dbraw/zinc/92/91/98/567929198.db2.gz LZAVFMHBBSGJAL-LJQANCHMSA-N 1 0 294.398 3.356 50 0 CGAARO C/C=C1/C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000253531851 570387497 /nfs/dbraw/zinc/38/74/97/570387497.db2.gz TWRIMOCPODQOBZ-RALSNMQTSA-N 1 0 294.398 3.309 50 0 CGAARO CCc1ccc(C[NH2+]Cc2ccccc2-n2ccnc2)nc1 ZINC000952981735 615674127 /nfs/dbraw/zinc/67/41/27/615674127.db2.gz VWZJNDAXEAKYDT-UHFFFAOYSA-N 1 0 292.386 3.120 50 0 CGAARO C[C@@H](NC1CC[NH+](C)CC1)c1cnc(-c2ccccc2)o1 ZINC000888099009 619260569 /nfs/dbraw/zinc/26/05/69/619260569.db2.gz STFPITZRFWCFMV-CYBMUJFWSA-N 1 0 285.391 3.086 50 0 CGAARO CC(C)c1cccc(-c2cccc3c2O[C@H](C[NH3+])C3)n1 ZINC000067489944 620022884 /nfs/dbraw/zinc/02/28/84/620022884.db2.gz UWTKPMFJKVNSDJ-ZDUSSCGKSA-N 1 0 268.360 3.134 50 0 CGAARO CC[NH2+]Cc1cc(-c2ccc(F)c(Br)c2)n[nH]1 ZINC000061690654 623168079 /nfs/dbraw/zinc/16/80/79/623168079.db2.gz STFCZVVWIAUGPA-UHFFFAOYSA-N 1 0 298.159 3.088 50 0 CGAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc(-c2ccccc2)o1 ZINC000864091445 629767236 /nfs/dbraw/zinc/76/72/36/629767236.db2.gz VUVBSIPKOBLLNK-GDBMZVCRSA-N 1 0 297.402 3.010 50 0 CGAARO COc1cccc(CN(C)CC[N@H+](C)C2CCCC2)c1F ZINC000952977594 636777323 /nfs/dbraw/zinc/77/73/23/636777323.db2.gz KKBRSZOSJLBYOW-UHFFFAOYSA-N 1 0 294.414 3.141 50 0 CGAARO Cc1ccc(C)c(CSC2=NN/C(=C3/C=CC=[NH+]3)O2)c1 ZINC000105270438 638168880 /nfs/dbraw/zinc/16/88/80/638168880.db2.gz GAZVXLVGTLQICJ-BUHFOSPRSA-N 1 0 285.372 3.237 50 0 CGAARO Cc1cc2nc(C[N@H+](C)CC3CCOCC3)[nH]c2cc1C ZINC000019773759 641038109 /nfs/dbraw/zinc/03/81/09/641038109.db2.gz NMEYIRUXCMDFEE-UHFFFAOYSA-N 1 0 287.407 3.038 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000585093628 799677764 /nfs/dbraw/zinc/67/77/64/799677764.db2.gz PJXNLNYCZUQSAL-UKRRQHHQSA-N 1 0 287.432 3.348 50 0 CGAARO CCC[C@@H]1C=CC[N@@H+]1Cc1cc(OC)ccc1-n1cccn1 ZINC000822804631 800463926 /nfs/dbraw/zinc/46/39/26/800463926.db2.gz TZBOVGWKVGTWDF-MRXNPFEDSA-N 1 0 297.402 3.421 50 0 CGAARO CC[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000952861178 800684876 /nfs/dbraw/zinc/68/48/76/800684876.db2.gz DOMIYVIPMXGSJC-INIZCTEOSA-N 1 0 284.407 3.126 50 0 CGAARO Fc1ccccc1OCC[NH2+]Cc1cnccc1Cl ZINC000952860677 800685000 /nfs/dbraw/zinc/68/50/00/800685000.db2.gz RAZGVDRBKJRDGH-UHFFFAOYSA-N 1 0 280.730 3.043 50 0 CGAARO CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC000952866946 800685090 /nfs/dbraw/zinc/68/50/90/800685090.db2.gz HEFJKCHZEPPRIU-HNNXBMFYSA-N 1 0 266.429 3.042 50 0 CGAARO CC(C)(C)C1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC000023282549 926834768 /nfs/dbraw/zinc/83/47/68/926834768.db2.gz FLJPFPGNZUVZNR-NRXISQOPSA-N 1 0 253.430 3.438 50 0 CGAARO CCN1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004030554 926922744 /nfs/dbraw/zinc/92/27/44/926922744.db2.gz FEJPTTBCNGLTIE-UHFFFAOYSA-N 1 0 262.441 3.029 50 0 CGAARO CCN(CC)C[C@@H]1CCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000199291432 928054145 /nfs/dbraw/zinc/05/41/45/928054145.db2.gz LXIBBZUOSYLDLU-HOTGVXAUSA-N 1 0 250.430 3.149 50 0 CGAARO c1ccc(COCC[NH2+][C@H]2CCN(c3ccccc3)C2)cc1 ZINC001506397208 937989738 /nfs/dbraw/zinc/98/97/38/937989738.db2.gz RLSSFEIQXZWILA-SFHVURJKSA-N 1 0 296.414 3.072 50 0 CGAARO CCCc1cnc(C)nc1NCc1ccccc1C[NH+](C)C ZINC001529173571 938071386 /nfs/dbraw/zinc/07/13/86/938071386.db2.gz MEUIGEBRJKFQSM-UHFFFAOYSA-N 1 0 298.434 3.411 50 0 CGAARO Cc1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786536 230370161 /nfs/dbraw/zinc/37/01/61/230370161.db2.gz WAKZCQISEFTWBN-UHFFFAOYSA-N 1 0 260.381 3.198 50 0 CGAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1cn2ccccc2n1 ZINC000096441751 230373267 /nfs/dbraw/zinc/37/32/67/230373267.db2.gz IPYKMTAWIGWYEB-KGLIPLIRSA-N 1 0 275.421 3.050 50 0 CGAARO Cc1cnc(C[NH2+][C@@H]2CCc3ccccc3C2)s1 ZINC000096478611 230380053 /nfs/dbraw/zinc/38/00/53/230380053.db2.gz YTANIJOVRGPWCR-CQSZACIVSA-N 1 0 258.390 3.099 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000096486384 230381871 /nfs/dbraw/zinc/38/18/71/230381871.db2.gz VODFCTBRBOVMEJ-QLJPJBMISA-N 1 0 292.354 3.032 50 0 CGAARO C[C@@H](C[NH2+]C[C@](C)(O)c1ccco1)c1ccc(F)cc1 ZINC000096494082 230383491 /nfs/dbraw/zinc/38/34/91/230383491.db2.gz JYZNLVDUMZTBML-LRDDRELGSA-N 1 0 277.339 3.020 50 0 CGAARO CCOc1ccccc1C[N@H+](C)CCCOC(C)C ZINC000095947684 185038376 /nfs/dbraw/zinc/03/83/76/185038376.db2.gz AKGZCZJVHSBTML-UHFFFAOYSA-N 1 0 265.397 3.332 50 0 CGAARO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]CC(C)C ZINC000095960369 185043855 /nfs/dbraw/zinc/04/38/55/185043855.db2.gz XOVSHHXVSSDLCY-UHFFFAOYSA-N 1 0 272.433 3.316 50 0 CGAARO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000095968358 185046868 /nfs/dbraw/zinc/04/68/68/185046868.db2.gz VJXIMLANCGEADC-ONGXEEELSA-N 1 0 291.819 3.244 50 0 CGAARO Cc1nc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004737 185063378 /nfs/dbraw/zinc/06/33/78/185063378.db2.gz SUZULDOCJMIDOX-GXTWGEPZSA-N 1 0 293.480 3.194 50 0 CGAARO Clc1ccc(Cc2cnc([C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032166 185067338 /nfs/dbraw/zinc/06/73/38/185067338.db2.gz BPJBVYGPJGTISX-GFCCVEGCSA-N 1 0 276.767 3.386 50 0 CGAARO C[N@H+](CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000007786632 529838890 /nfs/dbraw/zinc/83/88/90/529838890.db2.gz BLGBYVCPIQRNRQ-UHFFFAOYSA-N 1 0 264.344 3.029 50 0 CGAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccccc1Cl ZINC000022078164 344894565 /nfs/dbraw/zinc/89/45/65/344894565.db2.gz IZHZCEUUWHTUJU-WFASDCNBSA-N 1 0 264.800 3.009 50 0 CGAARO CC[NH2+]C1(C(=O)c2cn(C)c3ccccc23)CCCC1 ZINC000034222357 344938119 /nfs/dbraw/zinc/93/81/19/344938119.db2.gz MKBWQGQEEZASAG-UHFFFAOYSA-N 1 0 270.376 3.283 50 0 CGAARO COC(=O)c1ccc(CC[N@H+](C)Cc2ccccc2)cc1 ZINC000039083512 344957243 /nfs/dbraw/zinc/95/72/43/344957243.db2.gz XOAZFYFHJQCZHA-UHFFFAOYSA-N 1 0 283.371 3.148 50 0 CGAARO OC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000079014029 345628017 /nfs/dbraw/zinc/62/80/17/345628017.db2.gz IEPKCDSDTPXMEY-UHFFFAOYSA-N 1 0 287.325 3.095 50 0 CGAARO Cc1ccccc1SCC[N@H+](C)CCCCCO ZINC000096026682 345901697 /nfs/dbraw/zinc/90/16/97/345901697.db2.gz ONIPTYPVFMWWBH-UHFFFAOYSA-N 1 0 267.438 3.182 50 0 CGAARO CC(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000097227983 345907962 /nfs/dbraw/zinc/90/79/62/345907962.db2.gz AOOXYNSCVMJKET-SWLSCSKDSA-N 1 0 294.826 3.248 50 0 CGAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000170605266 346195069 /nfs/dbraw/zinc/19/50/69/346195069.db2.gz ZGDRPWXZVGUTBD-VXGBXAGGSA-N 1 0 254.399 3.137 50 0 CGAARO C[C@@H]1CC([NH2+]CCCc2cccs2)C[C@@H](C)O1 ZINC000195550810 346273272 /nfs/dbraw/zinc/27/32/72/346273272.db2.gz NTIKGSGITKFPBN-VXGBXAGGSA-N 1 0 253.411 3.226 50 0 CGAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000195566263 346273754 /nfs/dbraw/zinc/27/37/54/346273754.db2.gz ODDRWAQINKKTBV-PILAGYSTSA-N 1 0 289.419 3.261 50 0 CGAARO CC[NH+]1CCN([C@@H](C)c2cccc(Br)c2)CC1 ZINC000230555817 346321008 /nfs/dbraw/zinc/32/10/08/346321008.db2.gz UTHZRPFDYLAKNL-LBPRGKRZSA-N 1 0 297.240 3.148 50 0 CGAARO c1cncc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCC2)c1 ZINC000390830983 346574815 /nfs/dbraw/zinc/57/48/15/346574815.db2.gz OTJLJEVEEXHFBS-MZBDJJRSSA-N 1 0 258.365 3.008 50 0 CGAARO Clc1ccc2[nH]c(C[NH2+][C@H]3CCCSC3)nc2c1 ZINC000584892206 346722256 /nfs/dbraw/zinc/72/22/56/346722256.db2.gz MYODGGXHFAAXIY-JTQLQIEISA-N 1 0 281.812 3.202 50 0 CGAARO Cc1nc([C@H](C)[NH2+]C2CSCCSC2)c(C)s1 ZINC000584897788 346723095 /nfs/dbraw/zinc/72/30/95/346723095.db2.gz BFEAUPXOOHWVMZ-QMMMGPOBSA-N 1 0 288.507 3.259 50 0 CGAARO C[C@H](CC(F)(F)F)[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000584903021 346723808 /nfs/dbraw/zinc/72/38/08/346723808.db2.gz CCCTUTOGGDOWAW-SSDOTTSWSA-N 1 0 275.249 3.133 50 0 CGAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000086279101 179262681 /nfs/dbraw/zinc/26/26/81/179262681.db2.gz GUGVXXYYIJHZKB-AWEZNQCLSA-N 1 0 292.386 3.427 50 0 CGAARO C[C@@H](C(=O)NCCCCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000089922765 179883841 /nfs/dbraw/zinc/88/38/41/179883841.db2.gz WVSNVCZQYJEMDG-UTUOFQBUSA-N 1 0 294.361 3.097 50 0 CGAARO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cncnc2)C1 ZINC000091876560 180278696 /nfs/dbraw/zinc/27/86/96/180278696.db2.gz XGTDZQKTVOCKIQ-QGZVFWFLSA-N 1 0 267.376 3.030 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000106819920 186138285 /nfs/dbraw/zinc/13/82/85/186138285.db2.gz OODAZHFXYDAPFA-ZFWWWQNUSA-N 1 0 298.390 3.144 50 0 CGAARO Cc1cnn([C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000123001542 187064894 /nfs/dbraw/zinc/06/48/94/187064894.db2.gz NCWNYHZOWQYNCF-ZDUSSCGKSA-N 1 0 261.394 3.090 50 0 CGAARO CCCc1nc(C[N@@H+]2CCCCC[C@H]2CCO)cs1 ZINC000342014300 216187872 /nfs/dbraw/zinc/18/78/72/216187872.db2.gz GTDMFFKZPNOHAH-AWEZNQCLSA-N 1 0 282.453 3.223 50 0 CGAARO CC(C)n1cc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cn1 ZINC000189238732 189526387 /nfs/dbraw/zinc/52/63/87/189526387.db2.gz VAYPZCNKEUYMGL-CABCVRRESA-N 1 0 279.428 3.005 50 0 CGAARO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037621672 284004839 /nfs/dbraw/zinc/00/48/39/284004839.db2.gz DEPBSPZANBXPOQ-HZMBPMFUSA-N 1 0 268.426 3.060 50 0 CGAARO C[C@H]([NH2+]CC1OCc2ccccc2CO1)c1ccccc1 ZINC000000203091 368314048 /nfs/dbraw/zinc/31/40/48/368314048.db2.gz KULBLLSSWZJGPL-AWEZNQCLSA-N 1 0 283.371 3.410 50 0 CGAARO O[C@](c1cccs1)(c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000204007 368315393 /nfs/dbraw/zinc/31/53/93/368315393.db2.gz IPKLUCDIJUDRKF-FUHWJXTLSA-N 1 0 299.439 3.326 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000000057422 368279842 /nfs/dbraw/zinc/27/98/42/368279842.db2.gz PTGXAUBQBSGPKF-ZRGWGRIASA-N 1 0 299.414 3.425 50 0 world CGAARO Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000000176294 368309403 /nfs/dbraw/zinc/30/94/03/368309403.db2.gz TUTMXUDWEVNJIT-CQSZACIVSA-N 1 0 260.381 3.056 50 0 CGAARO O=C(CC[NH+]1CCCCCC1)Nc1cccc(F)c1 ZINC000000178114 368310502 /nfs/dbraw/zinc/31/05/02/368310502.db2.gz XAFMPBSYMSOAGQ-UHFFFAOYSA-N 1 0 264.344 3.030 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000000317182 368340647 /nfs/dbraw/zinc/34/06/47/368340647.db2.gz WLCZCODIFJSGEQ-HZPDHXFCSA-N 1 0 287.451 3.024 50 0 CGAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000000360054 368348006 /nfs/dbraw/zinc/34/80/06/368348006.db2.gz SYUVCJPLLLRCOY-LLVKDONJSA-N 1 0 290.190 3.271 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc(OC)c1 ZINC000000758804 368394661 /nfs/dbraw/zinc/39/46/61/368394661.db2.gz DRSYBUUGHBYGHZ-BLLLJJGKSA-N 1 0 263.381 3.372 50 0 CGAARO COc1ccc(CC[NH2+]Cc2cccc(C)c2)cc1 ZINC000002573291 368466895 /nfs/dbraw/zinc/46/68/95/368466895.db2.gz DTEUMPGLISHWGR-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003323346 368501721 /nfs/dbraw/zinc/50/17/21/368501721.db2.gz LDZFIEJVHXFMQN-HIFRSBDPSA-N 1 0 279.424 3.112 50 0 CGAARO CC[NH+](CC)CCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000004020712 368527306 /nfs/dbraw/zinc/52/73/06/368527306.db2.gz VQFLSZYCELATFZ-UHFFFAOYSA-N 1 0 292.467 3.051 50 0 CGAARO CCOc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000003460649 368507980 /nfs/dbraw/zinc/50/79/80/368507980.db2.gz MTPYGQFHJAWRLN-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000003564502 368513716 /nfs/dbraw/zinc/51/37/16/368513716.db2.gz NQNMEGLUBVMVQW-LLVKDONJSA-N 1 0 280.799 3.319 50 0 CGAARO CN1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000003683592 368518514 /nfs/dbraw/zinc/51/85/14/368518514.db2.gz KJKXPXOMQVTDGR-UHFFFAOYSA-N 1 0 280.415 3.460 50 0 CGAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NC1CCCCC1 ZINC000008320598 368573691 /nfs/dbraw/zinc/57/36/91/368573691.db2.gz DKJSVYBVJBFIKR-AWEZNQCLSA-N 1 0 292.448 3.334 50 0 CGAARO COc1ccc(CC[NH2+]CC2CCCCC2)cc1OC ZINC000010474658 368583711 /nfs/dbraw/zinc/58/37/11/368583711.db2.gz BOZSSSPXNLBLHC-UHFFFAOYSA-N 1 0 277.408 3.416 50 0 CGAARO [NH3+]CCc1cccc(OCCCc2ccccc2)c1 ZINC000011803506 368596203 /nfs/dbraw/zinc/59/62/03/368596203.db2.gz PLEPJSOEIOUDKO-UHFFFAOYSA-N 1 0 255.361 3.199 50 0 CGAARO c1cnc(Oc2cccc(C[NH2+]C3CCCC3)c2)nc1 ZINC000013731552 368664360 /nfs/dbraw/zinc/66/43/60/368664360.db2.gz KDCASYCTJPUGAZ-UHFFFAOYSA-N 1 0 269.348 3.301 50 0 CGAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC000011936757 368600687 /nfs/dbraw/zinc/60/06/87/368600687.db2.gz YHDKDDLIBMRPEZ-KRWDZBQOSA-N 1 0 283.419 3.265 50 0 CGAARO O=C(CC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)NC1CC1 ZINC000012054541 368603325 /nfs/dbraw/zinc/60/33/25/368603325.db2.gz ZAWHNCHGWZAVKL-INIZCTEOSA-N 1 0 292.467 3.338 50 0 CGAARO CC(C)(C)OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C ZINC000012384480 368612144 /nfs/dbraw/zinc/61/21/44/368612144.db2.gz CPNRZJGFJXKCSZ-CYBMUJFWSA-N 1 0 271.445 3.206 50 0 CGAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(Cl)c1 ZINC000013058454 368642471 /nfs/dbraw/zinc/64/24/71/368642471.db2.gz GXJWWHBCLZYWLG-UHFFFAOYSA-N 1 0 266.772 3.155 50 0 CGAARO Cc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013145646 368645123 /nfs/dbraw/zinc/64/51/23/368645123.db2.gz OVSBFFSOQWDSFO-KFWWJZLASA-N 1 0 274.408 3.300 50 0 CGAARO Cc1cc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)ccc1Cl ZINC000013361625 368651916 /nfs/dbraw/zinc/65/19/16/368651916.db2.gz XKWDOTOHUYKZSX-ZIAGYGMSSA-N 1 0 297.826 3.263 50 0 CGAARO COc1ccccc1OC/C=C/C[N@@H+]1CCC[C@@H](C)C1 ZINC000016623355 368718416 /nfs/dbraw/zinc/71/84/16/368718416.db2.gz ISNZZWDLOKDPGT-LLYBFZRZSA-N 1 0 275.392 3.362 50 0 CGAARO C[NH+](C)[C@H](CNc1ncnc2ccccc21)c1cccs1 ZINC000014166582 368675872 /nfs/dbraw/zinc/67/58/72/368675872.db2.gz DBMNIBSWJSQCIZ-CQSZACIVSA-N 1 0 298.415 3.406 50 0 CGAARO Cc1ccccc1OCCSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000014189211 368677163 /nfs/dbraw/zinc/67/71/63/368677163.db2.gz XBKXPUPFTZFPKU-OKILXGFUSA-N 1 0 290.432 3.377 50 0 CGAARO Nc1ccc(OCC[NH+]2CCCCC2)cc1C(F)(F)F ZINC000014630326 368682760 /nfs/dbraw/zinc/68/27/60/368682760.db2.gz YBGDGKFAXNQDIB-UHFFFAOYSA-N 1 0 288.313 3.152 50 0 CGAARO CC[NH+]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019608603 368759123 /nfs/dbraw/zinc/75/91/23/368759123.db2.gz LTEVNLLSOUKNPE-UHFFFAOYSA-N 1 0 292.426 3.395 50 0 CGAARO [NH3+]CC1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000019737164 368762631 /nfs/dbraw/zinc/76/26/31/368762631.db2.gz KLVFFSPRTLKYPE-UHFFFAOYSA-N 1 0 263.772 3.449 50 0 CGAARO CC(C)CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019737903 368763208 /nfs/dbraw/zinc/76/32/08/368763208.db2.gz GFZGMVKBJPALNA-KRWDZBQOSA-N 1 0 277.408 3.380 50 0 CGAARO Fc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019789476 368765464 /nfs/dbraw/zinc/76/54/64/368765464.db2.gz XNJNTQBYBCWWHR-UHFFFAOYSA-N 1 0 276.399 3.276 50 0 CGAARO O[C@@H]1CCC[N@H+](Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC000019810531 368767818 /nfs/dbraw/zinc/76/78/18/368767818.db2.gz BSUYZWOOHOUYRP-GOSISDBHSA-N 1 0 285.362 3.449 50 0 CGAARO CN(C)CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019809456 368769034 /nfs/dbraw/zinc/76/90/34/368769034.db2.gz UYQLMGALVYDSQL-SFHVURJKSA-N 1 0 268.404 3.122 50 0 CGAARO Cc1cc(Cl)ccc1OCC[N@@H+](C)C1CCOCC1 ZINC000019866740 368774529 /nfs/dbraw/zinc/77/45/29/368774529.db2.gz FJIALDGGKGULMX-UHFFFAOYSA-N 1 0 283.799 3.138 50 0 CGAARO O[C@@H](Cc1ccccc1)C1CC[NH+](C[C@@H]2CC23CCC3)CC1 ZINC000019229112 368745675 /nfs/dbraw/zinc/74/56/75/368745675.db2.gz ZZAPDSQVUPAWDJ-OALUTQOASA-N 1 0 299.458 3.492 50 0 CGAARO [NH3+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000019258980 368745976 /nfs/dbraw/zinc/74/59/76/368745976.db2.gz ZJPIHMYRZBVZCV-UHFFFAOYSA-N 1 0 268.238 3.351 50 0 CGAARO Fc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019537102 368756931 /nfs/dbraw/zinc/75/69/31/368756931.db2.gz ZNKGOVPCHWWYBM-UHFFFAOYSA-N 1 0 284.378 3.144 50 0 CGAARO c1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC000019606453 368758159 /nfs/dbraw/zinc/75/81/59/368758159.db2.gz JCZOWAIOABSXSL-QGZVFWFLSA-N 1 0 253.345 3.090 50 0 biogenic CGAARO c1ccc([C@H](C[NH2+]Cc2ccncc2)N2CCCC2)cc1 ZINC000020096470 368801857 /nfs/dbraw/zinc/80/18/57/368801857.db2.gz JOMXRYDAEPHVHN-SFHVURJKSA-N 1 0 281.403 3.008 50 0 CGAARO [NH3+]CCN[C@H](c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022917487 368814152 /nfs/dbraw/zinc/81/41/52/368814152.db2.gz NBOQTNFQBDDHOV-OAHLLOKOSA-N 1 0 294.320 3.343 50 0 CGAARO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000023652882 368823625 /nfs/dbraw/zinc/82/36/25/368823625.db2.gz KBICXAMYRQJAHA-HNNXBMFYSA-N 1 0 282.387 3.275 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1)c1cccs1 ZINC000024367089 368830757 /nfs/dbraw/zinc/83/07/57/368830757.db2.gz QCWIQHVHKYOTKB-CYBMUJFWSA-N 1 0 289.404 3.173 50 0 CGAARO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000019957591 368789010 /nfs/dbraw/zinc/78/90/10/368789010.db2.gz XOBYBXQZKDHNHR-CYBMUJFWSA-N 1 0 256.349 3.331 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000027355528 368870539 /nfs/dbraw/zinc/87/05/39/368870539.db2.gz BQWOLWBHKQKCEI-GFCCVEGCSA-N 1 0 295.814 3.336 50 0 CGAARO CC(C)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030148430 368901188 /nfs/dbraw/zinc/90/11/88/368901188.db2.gz CMTGRYLMQHUEJU-SNVBAGLBSA-N 1 0 286.778 3.394 50 0 CGAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000030757781 368905484 /nfs/dbraw/zinc/90/54/84/368905484.db2.gz FCCDLBLZMMJOTF-OAHLLOKOSA-N 1 0 286.419 3.155 50 0 CGAARO C[C@H](CCO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000032254340 368929093 /nfs/dbraw/zinc/92/90/93/368929093.db2.gz FPUVNQMAVOHHKI-MRXNPFEDSA-N 1 0 269.388 3.460 50 0 CGAARO CCCC(CCC)[NH2+]C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000032500663 368932467 /nfs/dbraw/zinc/93/24/67/368932467.db2.gz KZSBJWAVUDSDFZ-OAHLLOKOSA-N 1 0 282.472 3.439 50 0 CGAARO c1ccc(C[NH2+]Cc2ccc(-c3cncnc3)cc2)cc1 ZINC000032561762 368935795 /nfs/dbraw/zinc/93/57/95/368935795.db2.gz DNQRJNFSZUCZFJ-UHFFFAOYSA-N 1 0 275.355 3.433 50 0 CGAARO c1ccc(COc2ccc3c(c2)O[C@]2(CC[NH2+]C2)CC3)cc1 ZINC000036142041 369011314 /nfs/dbraw/zinc/01/13/14/369011314.db2.gz CDOFSKCVEQYILC-IBGZPJMESA-N 1 0 295.382 3.323 50 0 CGAARO c1ccc(COc2ccc3c(c2)O[C@@]2(CC[NH2+]C2)CC3)cc1 ZINC000036142042 369011601 /nfs/dbraw/zinc/01/16/01/369011601.db2.gz CDOFSKCVEQYILC-LJQANCHMSA-N 1 0 295.382 3.323 50 0 CGAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1)CCO2 ZINC000037187746 369075836 /nfs/dbraw/zinc/07/58/36/369075836.db2.gz KFGACUPDHORNFY-INIZCTEOSA-N 1 0 269.344 3.309 50 0 CGAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000039398746 369150299 /nfs/dbraw/zinc/15/02/99/369150299.db2.gz VGGWLCJRFQGPHH-GFCCVEGCSA-N 1 0 261.394 3.159 50 0 CGAARO Cc1ccsc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000041297909 369180668 /nfs/dbraw/zinc/18/06/68/369180668.db2.gz IRKVASGHWGVQBI-UHFFFAOYSA-N 1 0 280.437 3.051 50 0 CGAARO CC[NH+](CC)Cc1cc(Br)ccc1F ZINC000042377208 369218866 /nfs/dbraw/zinc/21/88/66/369218866.db2.gz GWMIATXNJMUOCA-UHFFFAOYSA-N 1 0 260.150 3.430 50 0 CGAARO CSC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000042628400 369227424 /nfs/dbraw/zinc/22/74/24/369227424.db2.gz CZDBRLYWNRXTNG-HIFRSBDPSA-N 1 0 277.433 3.333 50 0 CGAARO CC[NH+](CC)CCNC(=O)c1cc2c(cccc2F)s1 ZINC000048313351 369340260 /nfs/dbraw/zinc/34/02/60/369340260.db2.gz PYHHZGHZKXADPM-UHFFFAOYSA-N 1 0 294.395 3.112 50 0 CGAARO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000049538413 369407973 /nfs/dbraw/zinc/40/79/73/369407973.db2.gz DNQWBESNVTWRNM-DOMZBBRYSA-N 1 0 273.401 3.401 50 0 CGAARO COc1ccccc1-c1csc([C@H]2CCC[NH2+]C2)n1 ZINC000053252202 369481778 /nfs/dbraw/zinc/48/17/78/369481778.db2.gz ZJQMZKVTGYPIHR-NSHDSACASA-N 1 0 274.389 3.286 50 0 CGAARO Cc1ccccc1C[N@@H+](Cc1cnc[nH]1)CC(C)C ZINC000055211275 369512869 /nfs/dbraw/zinc/51/28/69/369512869.db2.gz GEUGBEISJVDSFF-UHFFFAOYSA-N 1 0 257.381 3.376 50 0 CGAARO CCCCCC[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055403823 369516445 /nfs/dbraw/zinc/51/64/45/369516445.db2.gz BGXVBKKSXKLBHJ-UHFFFAOYSA-N 1 0 276.428 3.373 50 0 CGAARO [NH3+]C1(c2noc(-c3cccc4ncccc43)n2)CCCC1 ZINC000061418872 369599396 /nfs/dbraw/zinc/59/93/96/369599396.db2.gz IJCUQPLVVIPZTC-UHFFFAOYSA-N 1 0 280.331 3.013 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(F)c(C)c1 ZINC000063058092 369637169 /nfs/dbraw/zinc/63/71/69/369637169.db2.gz XKSJERKKLAZYHX-UHFFFAOYSA-N 1 0 286.350 3.496 50 0 CGAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cccc(O)c1 ZINC000063856367 369648502 /nfs/dbraw/zinc/64/85/02/369648502.db2.gz GGZWREAKKJRVET-HNNXBMFYSA-N 1 0 291.416 3.227 50 0 CGAARO Clc1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000064571352 369658586 /nfs/dbraw/zinc/65/85/86/369658586.db2.gz QTDNSORQSBXOCW-CQSZACIVSA-N 1 0 264.800 3.010 50 0 CGAARO CCn1cnnc1[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000065287809 369667665 /nfs/dbraw/zinc/66/76/65/369667665.db2.gz CSZQUMIIBQBMOE-AWEZNQCLSA-N 1 0 276.428 3.200 50 0 CGAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2cccs2)CC1 ZINC000065288641 369667893 /nfs/dbraw/zinc/66/78/93/369667893.db2.gz QKIBFTBMDLMUGK-MRXNPFEDSA-N 1 0 288.416 3.089 50 0 CGAARO CC[N@@H+](Cc1ccnc2ccccc12)CC1CCOCC1 ZINC000065469504 369677912 /nfs/dbraw/zinc/67/79/12/369677912.db2.gz QGLFFBAYYAOHQW-UHFFFAOYSA-N 1 0 284.403 3.483 50 0 CGAARO Fc1cc2cccnc2c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065622515 369685554 /nfs/dbraw/zinc/68/55/54/369685554.db2.gz RJMSVVYXNVMRQA-QGZVFWFLSA-N 1 0 299.393 3.044 50 0 CGAARO CCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000069092456 369753519 /nfs/dbraw/zinc/75/35/19/369753519.db2.gz HLZAWDORLVAGDS-VIFPVBQESA-N 1 0 251.355 3.201 50 0 CGAARO C[NH2+]CCCOc1ccccc1-c1ccc2c(c1)OCO2 ZINC000067818116 369732191 /nfs/dbraw/zinc/73/21/91/369732191.db2.gz ZDYSBNXSELHACA-UHFFFAOYSA-N 1 0 285.343 3.071 50 0 CGAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2)cc1OC ZINC000069972261 369776039 /nfs/dbraw/zinc/77/60/39/369776039.db2.gz RNTAAVPULSORQC-MRXNPFEDSA-N 1 0 298.386 3.436 50 0 CGAARO Cc1ccc([C@@H]2CSCC[N@@H+]2CCc2ccncc2)o1 ZINC000076011892 369925183 /nfs/dbraw/zinc/92/51/83/369925183.db2.gz DTQXQRPACGGAGM-HNNXBMFYSA-N 1 0 288.416 3.316 50 0 CGAARO Cc1ccc([C@H](O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000088203172 370031091 /nfs/dbraw/zinc/03/10/91/370031091.db2.gz OAMJZFOGFQTPGS-GOSISDBHSA-N 1 0 269.388 3.203 50 0 CGAARO Cc1cccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000088685054 370036071 /nfs/dbraw/zinc/03/60/71/370036071.db2.gz MFQLFQSPNIRQRK-KXBFYZLASA-N 1 0 295.430 3.000 50 0 CGAARO Cc1nc(CC[NH2+]Cc2ccccc2Cl)c(C)o1 ZINC000089548035 370043117 /nfs/dbraw/zinc/04/31/17/370043117.db2.gz UIZDEZDMWVLSQL-UHFFFAOYSA-N 1 0 264.756 3.277 50 0 CGAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(C)s1)CCC2 ZINC000089656591 370044924 /nfs/dbraw/zinc/04/49/24/370044924.db2.gz FGCCRQWBYGWBDJ-CYBMUJFWSA-N 1 0 275.421 3.229 50 0 CGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)C2 ZINC000091326815 370074941 /nfs/dbraw/zinc/07/49/41/370074941.db2.gz CYAQBZBZZHNPTA-GXTWGEPZSA-N 1 0 298.352 3.231 50 0 CGAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(C)cc1C ZINC000089948938 370052561 /nfs/dbraw/zinc/05/25/61/370052561.db2.gz ZHACFUTXNBBPCE-WMZOPIPTSA-N 1 0 288.435 3.040 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cn1 ZINC000093942596 370165372 /nfs/dbraw/zinc/16/53/72/370165372.db2.gz JZTALYHZYHPAQG-AWEZNQCLSA-N 1 0 269.392 3.307 50 0 CGAARO Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c(C)o1 ZINC000097139252 370230956 /nfs/dbraw/zinc/23/09/56/370230956.db2.gz RIBSVCBJZYMIFE-HNNXBMFYSA-N 1 0 287.407 3.085 50 0 CGAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCCSCC1 ZINC000097375248 370239096 /nfs/dbraw/zinc/23/90/96/370239096.db2.gz AFGJYNSETRGNBB-UHFFFAOYSA-N 1 0 273.405 3.016 50 0 CGAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(COC(=O)O3)CC2)o1 ZINC000097785031 370254388 /nfs/dbraw/zinc/25/43/88/370254388.db2.gz OOVKXBIWXAVAPR-LBPRGKRZSA-N 1 0 293.363 3.083 50 0 CGAARO CN(CC1CCCCC1)C(=O)C[N@H+](C)C1CCCCC1 ZINC000097466603 370242858 /nfs/dbraw/zinc/24/28/58/370242858.db2.gz 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CC(C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000170050464 372634949 /nfs/dbraw/zinc/63/49/49/372634949.db2.gz YINYIAXBMIXKKX-HOTGVXAUSA-N 1 0 274.408 3.114 50 0 CGAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCC(C)C)no1 ZINC000170607271 372641339 /nfs/dbraw/zinc/64/13/39/372641339.db2.gz NATBUALIHZVSNV-KBPBESRZSA-N 1 0 293.411 3.116 50 0 CGAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000065288593 541888648 /nfs/dbraw/zinc/88/86/48/541888648.db2.gz MWMUMFBVAXSEQH-MRXNPFEDSA-N 1 0 288.416 3.089 50 0 CGAARO Clc1ccccc1[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000299784231 373612390 /nfs/dbraw/zinc/61/23/90/373612390.db2.gz WOIZRMWHEQFNRO-CYBMUJFWSA-N 1 0 275.783 3.026 50 0 CGAARO Cc1nc(C2CC[NH+](CCCc3ccccc3C)CC2)no1 ZINC000084235686 541931920 /nfs/dbraw/zinc/93/19/20/541931920.db2.gz MNPDXFGGUNSQAC-UHFFFAOYSA-N 1 0 299.418 3.499 50 0 CGAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccncc1 ZINC000183741554 374449893 /nfs/dbraw/zinc/44/98/93/374449893.db2.gz HTZLSWWGRYVBJX-UHFFFAOYSA-N 1 0 296.349 3.243 50 0 CGAARO Cc1ccc(C2=CN(O)[C@@H]3CCCC[C@@H]3[N+]2=O)cc1 ZINC000334157204 374651972 /nfs/dbraw/zinc/65/19/72/374651972.db2.gz CPFJHVGOGWKMMI-KGLIPLIRSA-N 1 0 259.329 3.088 50 0 CGAARO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000334525393 374820599 /nfs/dbraw/zinc/82/05/99/374820599.db2.gz AEAOFDOKZBZDBW-MRXNPFEDSA-N 1 0 267.376 3.165 50 0 CGAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCCCCC1 ZINC000215860182 296225139 /nfs/dbraw/zinc/22/51/39/296225139.db2.gz RNTFVLKTXDAGGU-KRWDZBQOSA-N 1 0 286.419 3.170 50 0 CGAARO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000191361531 375616433 /nfs/dbraw/zinc/61/64/33/375616433.db2.gz ASPINFYSJIKKTD-MAZHCROVSA-N 1 0 285.391 3.440 50 0 CGAARO Fc1ccc([C@@H]2CCC[N@H+](Cc3ncccn3)CC2)cc1 ZINC000336085970 375675769 /nfs/dbraw/zinc/67/57/69/375675769.db2.gz OYDCSTSVRRRPHH-CQSZACIVSA-N 1 0 285.366 3.385 50 0 CGAARO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C2 ZINC000192437640 375749386 /nfs/dbraw/zinc/74/93/86/375749386.db2.gz 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C[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000245253807 376802429 /nfs/dbraw/zinc/80/24/29/376802429.db2.gz GDTCYKNWOQXPNI-NCOADZHNSA-N 1 0 297.483 3.311 50 0 CGAARO C[C@H](C[NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248748015 377394047 /nfs/dbraw/zinc/39/40/47/377394047.db2.gz BKQGSYWXCGUGTO-XOKHGSTOSA-N 1 0 259.393 3.337 50 0 CGAARO C[C@H](C(=O)NCCCCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000252477873 377625491 /nfs/dbraw/zinc/62/54/91/377625491.db2.gz WVSNVCZQYJEMDG-IJLUTSLNSA-N 1 0 294.361 3.097 50 0 CGAARO CC[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CCOC1 ZINC000252481449 377627288 /nfs/dbraw/zinc/62/72/88/377627288.db2.gz CMKKKKOTUMFWEJ-AWEZNQCLSA-N 1 0 258.365 3.026 50 0 CGAARO CC(=O)c1cc(CN2CC([N@H+]3CCCC[C@@H]3C)C2)cs1 ZINC000252484907 377628989 /nfs/dbraw/zinc/62/89/89/377628989.db2.gz GKIDQWWIZXNZHL-LBPRGKRZSA-N 1 0 292.448 3.009 50 0 CGAARO CC(=O)N1CCC2(C[N@@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257182742 377793183 /nfs/dbraw/zinc/79/31/83/377793183.db2.gz QAMZARUTAYTUGH-QGZVFWFLSA-N 1 0 286.419 3.080 50 0 CGAARO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC000585124219 378397371 /nfs/dbraw/zinc/39/73/71/378397371.db2.gz HAFMTKAASJPBBL-YVEFUNNKSA-N 1 0 293.370 3.231 50 0 CGAARO CCOC1CC(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000585117274 378397449 /nfs/dbraw/zinc/39/74/49/378397449.db2.gz XDJOSRUCEMAXMU-OBHHBEAMSA-N 1 0 290.451 3.083 50 0 CGAARO Cc1ncccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191662862 542261958 /nfs/dbraw/zinc/26/19/58/542261958.db2.gz LDGVJDKKUFHZEP-MRXNPFEDSA-N 1 0 268.360 3.263 50 0 CGAARO Cc1c[nH+]ccc1NCc1ccc2c(c1)OCCCO2 ZINC000191980414 542262664 /nfs/dbraw/zinc/26/26/64/542262664.db2.gz JBZNZFNWEUBCAF-UHFFFAOYSA-N 1 0 270.332 3.163 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778411 379513799 /nfs/dbraw/zinc/51/37/99/379513799.db2.gz LCOSCHKTTNYCRL-WCBMZHEXSA-N 1 0 287.226 3.000 50 0 CGAARO CO[C@H]1CC[C@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000408518877 380016512 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/nfs/dbraw/zinc/19/97/45/189199745.db2.gz GQNXDFRYOIBXLY-CQSZACIVSA-N 1 0 273.401 3.372 50 0 CGAARO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000182955325 189340551 /nfs/dbraw/zinc/34/05/51/189340551.db2.gz FALNEBSWWCHARB-QWRGUYRKSA-N 1 0 296.361 3.318 50 0 CGAARO C[NH+](C)[C@H]1CCN(Cc2ccc3cccc(Cl)c3n2)C1 ZINC000215700720 189696636 /nfs/dbraw/zinc/69/66/36/189696636.db2.gz PLIBWJQOFHXOTM-AWEZNQCLSA-N 1 0 289.810 3.024 50 0 CGAARO C[C@H](c1cccs1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459293304 242058004 /nfs/dbraw/zinc/05/80/04/242058004.db2.gz FJGRQIYTQZDPPP-SNVBAGLBSA-N 1 0 269.801 3.291 50 0 CGAARO c1ccc(CCN2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000000221394 368319400 /nfs/dbraw/zinc/31/94/00/368319400.db2.gz VHEQNDBPXMRBBY-UHFFFAOYSA-N 1 0 272.436 3.226 50 0 CGAARO CC1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000000127560 368295885 /nfs/dbraw/zinc/29/58/85/368295885.db2.gz QUDVPCKPGHORAB-GOSISDBHSA-N 1 0 299.414 3.311 50 0 CGAARO CC1CCC([NH2+]CCc2ccc3c(c2)OCO3)CC1 ZINC000000172106 368308269 /nfs/dbraw/zinc/30/82/69/368308269.db2.gz XDLMPBGTVQKZTL-UHFFFAOYSA-N 1 0 261.365 3.126 50 0 CGAARO O[C@]12CCCC[C@H]1[C@@H](c1c(F)cccc1Cl)[NH2+]CC2 ZINC000000248241 368324143 /nfs/dbraw/zinc/32/41/43/368324143.db2.gz VRKYTJBOOFTEQT-LKTVYLICSA-N 1 0 283.774 3.435 50 0 CGAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1 ZINC000000182173 368310588 /nfs/dbraw/zinc/31/05/88/368310588.db2.gz MKIPHHHYWFOIRH-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 biogenic CGAARO CC1(C)C[C@@H]([C@H](CC[NH3+])Cc2ccccc2)CCO1 ZINC000000244190 368324341 /nfs/dbraw/zinc/32/43/41/368324341.db2.gz IGPXGEIGHLYILV-CVEARBPZSA-N 1 0 261.409 3.399 50 0 CGAARO C[n+]1ccccc1COc1ccc(C(C)(C)C)cc1 ZINC000000387349 368355257 /nfs/dbraw/zinc/35/52/57/368355257.db2.gz QKFZSKDFDMLUAD-UHFFFAOYSA-N 1 0 256.369 3.388 50 0 CGAARO C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)C[NH+](C)C ZINC000002351753 368451563 /nfs/dbraw/zinc/45/15/63/368451563.db2.gz PFFUBHFIRMDASU-HNNXBMFYSA-N 1 0 296.414 3.281 50 0 CGAARO CC[NH+](CC)CCOc1nc(C)nc2c3ccccc3oc21 ZINC000002438468 368454387 /nfs/dbraw/zinc/45/43/87/368454387.db2.gz LVSJROUQVIAFST-UHFFFAOYSA-N 1 0 299.374 3.405 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1cc(C)cc(C)c1 ZINC000002765181 368476732 /nfs/dbraw/zinc/47/67/32/368476732.db2.gz CHCYSUKICFPRKE-UHFFFAOYSA-N 1 0 262.397 3.364 50 0 CGAARO CCc1ccc(NC(=S)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000003287355 368499832 /nfs/dbraw/zinc/49/98/32/368499832.db2.gz ZJXZVKDVSFKOBI-HNNXBMFYSA-N 1 0 291.464 3.020 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000003306261 368501280 /nfs/dbraw/zinc/50/12/80/368501280.db2.gz YBPZGFDMMKGDBH-KRWDZBQOSA-N 1 0 282.387 3.028 50 0 CGAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccccc1Cl ZINC000003314837 368501349 /nfs/dbraw/zinc/50/13/49/368501349.db2.gz DMVBDORBPHQTFH-NSHDSACASA-N 1 0 269.772 3.227 50 0 CGAARO Cc1cccc(OCCOCC[NH+]2CCCCCC2)c1 ZINC000002824184 368479336 /nfs/dbraw/zinc/47/93/36/368479336.db2.gz ZPDRNZHDQPDEPI-UHFFFAOYSA-N 1 0 277.408 3.266 50 0 CGAARO CC[C@@H](C)[NH2+]CCOCCOc1cc(C)cc(C)c1C ZINC000002822295 368479951 /nfs/dbraw/zinc/47/99/51/368479951.db2.gz FSVXUECLDXXNJE-OAHLLOKOSA-N 1 0 279.424 3.395 50 0 CGAARO CCCC[NH2+]CCCCOc1cccc(OC)c1 ZINC000002901098 368486209 /nfs/dbraw/zinc/48/62/09/368486209.db2.gz CXJAPADLPBTNNY-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO Cc1cccc(Cl)c1OCCOCC[NH2+]C(C)C ZINC000002981128 368487085 /nfs/dbraw/zinc/48/70/85/368487085.db2.gz LHNZQZSTORVGQA-UHFFFAOYSA-N 1 0 271.788 3.042 50 0 CGAARO COCC[NH2+]CCCOc1cc(C)ccc1C(C)(C)C ZINC000003003821 368488246 /nfs/dbraw/zinc/48/82/46/368488246.db2.gz ZDLBVGLILMBRMO-UHFFFAOYSA-N 1 0 279.424 3.297 50 0 CGAARO [NH2+]=C(NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000003159164 368495157 /nfs/dbraw/zinc/49/51/57/368495157.db2.gz KRYMVQUMTOSTPR-UHFFFAOYSA-N 1 0 258.752 3.498 50 0 CGAARO C[C@H](c1ccccc1)[C@H]1OC[C@H](C[NH+]2CCCCC2)O1 ZINC000004012232 368525841 /nfs/dbraw/zinc/52/58/41/368525841.db2.gz ODYIWFSYHAIAAO-PVAVHDDUSA-N 1 0 275.392 3.018 50 0 CGAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c(C)c1C ZINC000004031332 368527538 /nfs/dbraw/zinc/52/75/38/368527538.db2.gz RFEIBZXVSJHQEB-NJAFHUGGSA-N 1 0 289.419 3.268 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000003865237 368522143 /nfs/dbraw/zinc/52/21/43/368522143.db2.gz YTVBIIWCZUTCRJ-BBWFWOEESA-N 1 0 291.435 3.306 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000004657539 368553876 /nfs/dbraw/zinc/55/38/76/368553876.db2.gz ZISMFCUMEUFDFU-KRWDZBQOSA-N 1 0 255.361 3.214 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004195212 368535464 /nfs/dbraw/zinc/53/54/64/368535464.db2.gz RRXRGGDXVXFXRD-IXDOHACOSA-N 1 0 291.435 3.306 50 0 CGAARO C[C@@H]([C@@H](O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000004428181 368546312 /nfs/dbraw/zinc/54/63/12/368546312.db2.gz CYSKFZFCHQFFTL-CYIKRSNASA-N 1 0 263.425 3.048 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000007434560 368570864 /nfs/dbraw/zinc/57/08/64/368570864.db2.gz UZGQWUAKQRWNLP-UHFFFAOYSA-N 1 0 282.387 3.023 50 0 CGAARO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000007787549 368572271 /nfs/dbraw/zinc/57/22/71/368572271.db2.gz HHJGJRQXXIIERU-CQSZACIVSA-N 1 0 274.408 3.480 50 0 CGAARO O=C(NC1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010433827 368582411 /nfs/dbraw/zinc/58/24/11/368582411.db2.gz VVUKXBZXYUOUEM-UHFFFAOYSA-N 1 0 286.419 3.345 50 0 CGAARO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000011959997 368600869 /nfs/dbraw/zinc/60/08/69/368600869.db2.gz FFTAILRALRFAPC-KCJUWKMLSA-N 1 0 274.286 3.017 50 0 CGAARO CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000016605624 368716988 /nfs/dbraw/zinc/71/69/88/368716988.db2.gz FJMLCIWMZYQIQK-QGZVFWFLSA-N 1 0 288.435 3.169 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1Cl ZINC000014197754 368677638 /nfs/dbraw/zinc/67/76/38/368677638.db2.gz YXFYWKWTXNRGBW-NSHDSACASA-N 1 0 288.778 3.290 50 0 CGAARO CC[NH+](CC)CCNCc1c(OC)ccc2ccccc21 ZINC000019691217 368760294 /nfs/dbraw/zinc/76/02/94/368760294.db2.gz ZWDPVTLXIJLVIO-UHFFFAOYSA-N 1 0 286.419 3.280 50 0 CGAARO c1cncc(CNC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000019735493 368761527 /nfs/dbraw/zinc/76/15/27/368761527.db2.gz XMADRZXWUCBVKU-KRWDZBQOSA-N 1 0 287.451 3.216 50 0 CGAARO CC[C@@H]1C[N@H+](CCC2CCCCCC2)CCN1C ZINC000019228145 368745318 /nfs/dbraw/zinc/74/53/18/368745318.db2.gz RWLSWTKSWHVICV-MRXNPFEDSA-N 1 0 252.446 3.373 50 0 CGAARO COC[C@@H]1CCC[N@@H+]1CCc1c(C)[nH]c2ccc(F)cc21 ZINC000019222259 368746036 /nfs/dbraw/zinc/74/60/36/368746036.db2.gz OWMKBOJPEUXCLD-AWEZNQCLSA-N 1 0 290.382 3.269 50 0 CGAARO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019536238 368757168 /nfs/dbraw/zinc/75/71/68/368757168.db2.gz XWGYSHGVZIBZMF-UHFFFAOYSA-N 1 0 296.414 3.013 50 0 in-vitro CGAARO CC(C)(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128055 368816557 /nfs/dbraw/zinc/81/65/57/368816557.db2.gz UDRSBLNIGXELIP-UHFFFAOYSA-N 1 0 294.464 3.122 50 0 CGAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000025329882 368845012 /nfs/dbraw/zinc/84/50/12/368845012.db2.gz VOGFTDISLBDLOU-LBPRGKRZSA-N 1 0 294.445 3.151 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1F ZINC000024830801 368835780 /nfs/dbraw/zinc/83/57/80/368835780.db2.gz OTWYOOWCBCTNCZ-UHFFFAOYSA-N 1 0 272.751 3.196 50 0 CGAARO Brc1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000028522193 368886671 /nfs/dbraw/zinc/88/66/71/368886671.db2.gz KXLVPMIUVBLDFG-CQSZACIVSA-N 1 0 298.224 3.498 50 0 CGAARO Clc1cc(C[NH2+]Cc2cccs2)cc2c1OCO2 ZINC000034937714 368980266 /nfs/dbraw/zinc/98/02/66/368980266.db2.gz UMUUZMKYNUIOJS-UHFFFAOYSA-N 1 0 281.764 3.420 50 0 CGAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2ccccc2c1=O ZINC000032561869 368935499 /nfs/dbraw/zinc/93/54/99/368935499.db2.gz VNZBFOHWLXTBGM-HNNXBMFYSA-N 1 0 299.418 3.050 50 0 CGAARO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)C(C)C)c1 ZINC000036100391 369008720 /nfs/dbraw/zinc/00/87/20/369008720.db2.gz BIBXVSNZFXEAHA-QGZVFWFLSA-N 1 0 263.425 3.470 50 0 CGAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@@H](O)COC(C)C ZINC000036099594 369009025 /nfs/dbraw/zinc/00/90/25/369009025.db2.gz CUBTVFXQXIUYOH-MRXNPFEDSA-N 1 0 299.480 3.382 50 0 CGAARO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000037764945 369106529 /nfs/dbraw/zinc/10/65/29/369106529.db2.gz VBLJUSMRKMLGQS-RHSMWYFYSA-N 1 0 282.387 3.262 50 0 CGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000037991478 369134756 /nfs/dbraw/zinc/13/47/56/369134756.db2.gz ZKIDVBVADVJJPB-UHFFFAOYSA-N 1 0 292.398 3.020 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000038011087 369138805 /nfs/dbraw/zinc/13/88/05/369138805.db2.gz QJDKQUFHZAWJNW-SECBINFHSA-N 1 0 299.296 3.468 50 0 CGAARO O[C@@H](C[NH2+]Cc1ccccc1Cl)c1ccsc1 ZINC000219107049 376195325 /nfs/dbraw/zinc/19/53/25/376195325.db2.gz MQIURWYSOIWJRS-ZDUSSCGKSA-N 1 0 267.781 3.225 50 0 CGAARO CCCc1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774487 369232472 /nfs/dbraw/zinc/23/24/72/369232472.db2.gz DPZILOYOLDBCKU-GFCCVEGCSA-N 1 0 284.197 3.142 50 0 CGAARO CCN(CC)c1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000042771273 369230885 /nfs/dbraw/zinc/23/08/85/369230885.db2.gz UTXIZLBKGBSKAM-UHFFFAOYSA-N 1 0 276.424 3.301 50 0 CGAARO Clc1ccccc1COCCC1CC[NH2+]CC1 ZINC000042771801 369230929 /nfs/dbraw/zinc/23/09/29/369230929.db2.gz ZSEKEECMXIFTEX-UHFFFAOYSA-N 1 0 253.773 3.246 50 0 CGAARO CCc1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774799 369231859 /nfs/dbraw/zinc/23/18/59/369231859.db2.gz NERUQNHBHAGMHZ-NSHDSACASA-N 1 0 284.197 3.142 50 0 CGAARO CCCc1ccc(OC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000042782937 369231974 /nfs/dbraw/zinc/23/19/74/369231974.db2.gz ORUGNIDWYIVFGI-CQSZACIVSA-N 1 0 263.381 3.026 50 0 CGAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000046995300 369303060 /nfs/dbraw/zinc/30/30/60/369303060.db2.gz KQNKONMOCCQGRV-ZWKOTPCHSA-N 1 0 294.398 3.196 50 0 CGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000049075962 369385899 /nfs/dbraw/zinc/38/58/99/369385899.db2.gz RWDGNADSEFPFDF-UHFFFAOYSA-N 1 0 288.435 3.189 50 0 CGAARO [NH3+][C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000050041263 369426312 /nfs/dbraw/zinc/42/63/12/369426312.db2.gz ARXAFTBAJXGJLP-LBPRGKRZSA-N 1 0 254.171 3.119 50 0 CGAARO CC[C@H](C)C[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055255359 369513212 /nfs/dbraw/zinc/51/32/12/369513212.db2.gz FAGFCRCADXJJFY-AWEZNQCLSA-N 1 0 278.444 3.160 50 0 CGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc3c(c2)CCO3)c1 ZINC000055368858 369514757 /nfs/dbraw/zinc/51/47/57/369514757.db2.gz IDOQHOFAEXJVPK-OAHLLOKOSA-N 1 0 296.414 3.388 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000055505161 369519161 /nfs/dbraw/zinc/51/91/61/369519161.db2.gz MGKKBRPEUXDJDA-MRXNPFEDSA-N 1 0 270.376 3.499 50 0 CGAARO c1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000061327894 369597745 /nfs/dbraw/zinc/59/77/45/369597745.db2.gz XJIYDORLYQMEDX-OAHLLOKOSA-N 1 0 276.449 3.342 50 0 CGAARO c1cnn(-c2ccc(C[NH2+]Cc3ccsc3)cc2)c1 ZINC000062103922 369619006 /nfs/dbraw/zinc/61/90/06/369619006.db2.gz RVSYKIMWGQXWIT-UHFFFAOYSA-N 1 0 269.373 3.224 50 0 CGAARO Cc1ccsc1C[N@H+](C)CCC[C@@H]1CCCO1 ZINC000065396619 369672132 /nfs/dbraw/zinc/67/21/32/369672132.db2.gz OKAVGJWWVPCSOQ-CYBMUJFWSA-N 1 0 253.411 3.448 50 0 CGAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)CC(C)(C)OC)cc2c1 ZINC000065397779 369672639 /nfs/dbraw/zinc/67/26/39/369672639.db2.gz ZXQRJTRZFPAZIF-LBPRGKRZSA-N 1 0 290.407 3.470 50 0 CGAARO Cc1ccsc1C[N@H+](Cc1ccc(CO)o1)C1CC1 ZINC000065423948 369675897 /nfs/dbraw/zinc/67/58/97/369675897.db2.gz USMIOIKCEYNRGC-UHFFFAOYSA-N 1 0 277.389 3.306 50 0 CGAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000065467853 369677878 /nfs/dbraw/zinc/67/78/78/369677878.db2.gz DFCPYWMAOQXQMA-KRWDZBQOSA-N 1 0 275.392 3.280 50 0 CGAARO CO[C@H](C[NH2+]C1Cc2ccccc2C1)c1cccs1 ZINC000065494149 369679545 /nfs/dbraw/zinc/67/95/45/369679545.db2.gz FJCXVQITRYDAOE-OAHLLOKOSA-N 1 0 273.401 3.193 50 0 CGAARO CN(CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000066182802 369690016 /nfs/dbraw/zinc/69/00/16/369690016.db2.gz WXOKYWLMFVBCRB-UHFFFAOYSA-N 1 0 254.377 3.255 50 0 CGAARO CC(C)Oc1ccccc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067956212 369737414 /nfs/dbraw/zinc/73/74/14/369737414.db2.gz ROUORRBXGNJAPT-INIZCTEOSA-N 1 0 261.365 3.091 50 0 CGAARO CCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000069776918 369772260 /nfs/dbraw/zinc/77/22/60/369772260.db2.gz FFYIHWZXIOYRJT-UHFFFAOYSA-N 1 0 259.353 3.011 50 0 CGAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)c(OC)c1 ZINC000069375342 369757937 /nfs/dbraw/zinc/75/79/37/369757937.db2.gz DUWVEVGIXIKKFH-KRWDZBQOSA-N 1 0 298.386 3.436 50 0 CGAARO C[C@H]1c2ccsc2CC[N@H+]1CCc1ccncc1 ZINC000069460545 369760469 /nfs/dbraw/zinc/76/04/69/369760469.db2.gz ULRXJBHYYSMFQN-LBPRGKRZSA-N 1 0 258.390 3.305 50 0 CGAARO COc1ccc(CC[NH3+])cc1/C=C/c1ccccc1 ZINC000067850666 369733958 /nfs/dbraw/zinc/73/39/58/369733958.db2.gz OQKCYRVIZZFTRH-VQHVLOKHSA-N 1 0 253.345 3.367 50 0 CGAARO CCCc1ccc([C@H](C)Nc2ncnc3c2CC[NH2+]C3)cc1 ZINC000067855196 369734116 /nfs/dbraw/zinc/73/41/16/369734116.db2.gz PJNWKQSTUWPEIP-ZDUSSCGKSA-N 1 0 296.418 3.248 50 0 CGAARO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000067934333 369735743 /nfs/dbraw/zinc/73/57/43/369735743.db2.gz IWQONYVPAWINEM-ZDUSSCGKSA-N 1 0 285.391 3.154 50 0 CGAARO COc1cc(CN2CCCC[C@@H]2CC[NH+](C)C)ccc1F ZINC000072427401 369818787 /nfs/dbraw/zinc/81/87/87/369818787.db2.gz SPERMWRDDNCIPI-OAHLLOKOSA-N 1 0 294.414 3.141 50 0 CGAARO COc1ccc(F)cc1CN1CCCC[C@@H]1CC[NH+](C)C ZINC000072478104 369822846 /nfs/dbraw/zinc/82/28/46/369822846.db2.gz RUSDFLOLONPXRP-MRXNPFEDSA-N 1 0 294.414 3.141 50 0 CGAARO c1ccc2[nH]c(C3CC[NH+](C[C@@H]4CCCCO4)CC3)nc2c1 ZINC000078922712 369955896 /nfs/dbraw/zinc/95/58/96/369955896.db2.gz SPHJQLRWOOFSNI-HNNXBMFYSA-N 1 0 299.418 3.311 50 0 CGAARO FC(F)(F)c1cnc(CCn2ccnc2)c(Cl)c1 ZINC000082083222 369997898 /nfs/dbraw/zinc/99/78/98/369997898.db2.gz NZJIWPZWAKBOEK-UHFFFAOYSA-N 1 0 275.661 3.193 50 0 CGAARO CC(C)(O)CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000081666362 369997929 /nfs/dbraw/zinc/99/79/29/369997929.db2.gz BBZZYPLOPIHGLT-UHFFFAOYSA-N 1 0 269.335 3.090 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccc(F)c(F)c1 ZINC000084647933 370013361 /nfs/dbraw/zinc/01/33/61/370013361.db2.gz MVJVMJQOCPVTML-DGCLKSJQSA-N 1 0 291.345 3.390 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C)c(OC)c1OC ZINC000088699318 370036191 /nfs/dbraw/zinc/03/61/91/370036191.db2.gz ONRRAXIXQAPASE-JSGCOSHPSA-N 1 0 293.407 3.033 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000089544541 370041911 /nfs/dbraw/zinc/04/19/11/370041911.db2.gz XAYIZGGHRPQJND-VIFPVBQESA-N 1 0 297.324 3.419 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000090801372 370069577 /nfs/dbraw/zinc/06/95/77/370069577.db2.gz IFTSSXOLONOSKT-KGLIPLIRSA-N 1 0 293.480 3.170 50 0 CGAARO c1cnn(CCC[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000089857813 370049290 /nfs/dbraw/zinc/04/92/90/370049290.db2.gz OUACBJQTLMHQGV-AWEZNQCLSA-N 1 0 273.405 3.100 50 0 CGAARO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCn1ccnc1 ZINC000089904777 370050430 /nfs/dbraw/zinc/05/04/30/370050430.db2.gz KBBNLNNXCJCSBC-CYBMUJFWSA-N 1 0 261.344 3.105 50 0 CGAARO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090086189 370053171 /nfs/dbraw/zinc/05/31/71/370053171.db2.gz DJZQSGXDOPPNTL-QEJZJMRPSA-N 1 0 253.430 3.342 50 0 CGAARO CSC1(C[NH2+][C@@H](C)c2ccsc2)CCOCC1 ZINC000090113845 370053511 /nfs/dbraw/zinc/05/35/11/370053511.db2.gz HDPLEFOHXYLJBA-NSHDSACASA-N 1 0 271.451 3.311 50 0 CGAARO C[NH2+]Cc1cccc(NC(=O)c2cscc2C)c1 ZINC000094248265 370166527 /nfs/dbraw/zinc/16/65/27/370166527.db2.gz DKSPBKSBQFITFR-UHFFFAOYSA-N 1 0 260.362 3.028 50 0 CGAARO CCN(CC)CC[NH2+]Cc1ccccc1C(F)(F)F ZINC000095098699 370176171 /nfs/dbraw/zinc/17/61/71/370176171.db2.gz JLLCZNYITVINIO-UHFFFAOYSA-N 1 0 274.330 3.137 50 0 CGAARO COc1ccccc1[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000093593717 370144851 /nfs/dbraw/zinc/14/48/51/370144851.db2.gz ZZWKKVUXIDAYIT-INIZCTEOSA-N 1 0 282.387 3.388 50 0 CGAARO C/C(=C/c1ccccc1)C[NH2+]C1CCN(C2CC2)CC1 ZINC000096297185 370210189 /nfs/dbraw/zinc/21/01/89/370210189.db2.gz HFLGPPABMQFMAN-SQFISAMPSA-N 1 0 270.420 3.306 50 0 CGAARO CC(C)=CCC[C@@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000097016548 370215956 /nfs/dbraw/zinc/21/59/56/370215956.db2.gz RIAUDGFXXTXFKR-CQSZACIVSA-N 1 0 267.413 3.397 50 0 CGAARO CCc1ccccc1-c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000097758075 370252892 /nfs/dbraw/zinc/25/28/92/370252892.db2.gz UVBSMBCLUMYEBF-UHFFFAOYSA-N 1 0 295.430 3.058 50 0 CGAARO c1n[nH]cc1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000097202781 370233223 /nfs/dbraw/zinc/23/32/23/370233223.db2.gz HLFVBAYRUNEBGJ-UHFFFAOYSA-N 1 0 292.386 3.338 50 0 CGAARO C[C@H](CCc1ccccc1F)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000097228396 370235773 /nfs/dbraw/zinc/23/57/73/370235773.db2.gz XWHPWLKJFAEIKY-OLZOCXBDSA-N 1 0 275.371 3.231 50 0 CGAARO COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000095419726 370186779 /nfs/dbraw/zinc/18/67/79/370186779.db2.gz XJBKWLHHHLCEHU-GWCFXTLKSA-N 1 0 295.766 3.326 50 0 CGAARO Cc1cccc(NC(=O)CC[NH2+][C@@H](C)c2cccs2)n1 ZINC000095421109 370187957 /nfs/dbraw/zinc/18/79/57/370187957.db2.gz SNSJDZHZNDPDPZ-LBPRGKRZSA-N 1 0 289.404 3.131 50 0 CGAARO CCOc1cc(C[NH2+][C@H]2CCc3ccccc32)ccn1 ZINC000095420321 370188054 /nfs/dbraw/zinc/18/80/54/370188054.db2.gz HQNJLOKKDICTLT-INIZCTEOSA-N 1 0 268.360 3.257 50 0 CGAARO CC(C)OCC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000095431953 370192710 /nfs/dbraw/zinc/19/27/10/370192710.db2.gz KKJISDIHOIBJDF-INIZCTEOSA-N 1 0 262.397 3.251 50 0 CGAARO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc2ccccc2nc1Cl ZINC000095450161 370196760 /nfs/dbraw/zinc/19/67/60/370196760.db2.gz GCEBZCXFKZORBW-LSDHHAIUSA-N 1 0 290.794 3.281 50 0 CGAARO C[C@@H](CCc1ccccc1)C[NH2+]C[C@@H](O)c1ccco1 ZINC000095450140 370197343 /nfs/dbraw/zinc/19/73/43/370197343.db2.gz QNBOMNUSTFYIOB-GOEBONIOSA-N 1 0 273.376 3.172 50 0 CGAARO Cc1ccc(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)s1 ZINC000097776209 370255011 /nfs/dbraw/zinc/25/50/11/370255011.db2.gz SEROCWLRMQRQMO-UHFFFAOYSA-N 1 0 273.405 3.215 50 0 CGAARO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119054135 370640601 /nfs/dbraw/zinc/64/06/01/370640601.db2.gz MOPNOADIDKIPBU-SJORKVTESA-N 1 0 298.434 3.015 50 0 CGAARO Cc1nonc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426486143 372159997 /nfs/dbraw/zinc/15/99/97/372159997.db2.gz LJVUHPZOCHFMGC-CQSZACIVSA-N 1 0 271.364 3.004 50 0 CGAARO Cc1ccc(C)c(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)c1 ZINC000426487591 372161441 /nfs/dbraw/zinc/16/14/41/372161441.db2.gz UTVORZVFWYIDAY-MRXNPFEDSA-N 1 0 288.435 3.184 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)CC1 ZINC000293953767 372534306 /nfs/dbraw/zinc/53/43/06/372534306.db2.gz IXRIXNKOTNCLOU-INIZCTEOSA-N 1 0 289.419 3.355 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCc2ccncc2)o1 ZINC000170594887 372639226 /nfs/dbraw/zinc/63/92/26/372639226.db2.gz GEHXCVNMNNCTLR-UHFFFAOYSA-N 1 0 296.374 3.048 50 0 CGAARO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc(O)c2)c1 ZINC000170593572 372640073 /nfs/dbraw/zinc/64/00/73/372640073.db2.gz XTOBAVFAZGBHME-UHFFFAOYSA-N 1 0 284.359 3.015 50 0 CGAARO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCC1CCCC1 ZINC000170599149 372641603 /nfs/dbraw/zinc/64/16/03/372641603.db2.gz ZPNDNUKMGPIWRD-MRXNPFEDSA-N 1 0 280.456 3.290 50 0 CGAARO CCc1cc(Cl)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000299755101 373610298 /nfs/dbraw/zinc/61/02/98/373610298.db2.gz BOUWFDVGOZCJDK-ZDUSSCGKSA-N 1 0 295.814 3.070 50 0 CGAARO CCn1cc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)cn1 ZINC000177718598 373704458 /nfs/dbraw/zinc/70/44/58/373704458.db2.gz KULAALWYRSGPEZ-SNVBAGLBSA-N 1 0 265.307 3.032 50 0 CGAARO CC(C)c1noc([C@H](C)[NH+]2C[C@H]3CC=CC[C@@H]3C2)n1 ZINC000076040423 541910844 /nfs/dbraw/zinc/91/08/44/541910844.db2.gz YWJGGVQKLNIVAZ-YNEHKIRRSA-N 1 0 261.369 3.152 50 0 CGAARO CC1CCC(C)([NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000084689242 541935275 /nfs/dbraw/zinc/93/52/75/541935275.db2.gz MUYQXWSPTHOQNL-UHFFFAOYSA-N 1 0 296.361 3.462 50 0 CGAARO c1cc2c3c(c1)CCC[C@H]3C[C@H]2[NH2+]C1CCOCC1 ZINC000090974673 541964845 /nfs/dbraw/zinc/96/48/45/541964845.db2.gz WVOUDZHOURGBPI-XJKSGUPXSA-N 1 0 257.377 3.320 50 0 CGAARO OCc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000092221650 541972670 /nfs/dbraw/zinc/97/26/70/541972670.db2.gz MFBNIFUFOTYRLW-SFHVURJKSA-N 1 0 283.371 3.424 50 0 CGAARO C[C@H](NCCC[NH+]1CCCCCC1)c1ccc(F)cn1 ZINC000092720534 541977072 /nfs/dbraw/zinc/97/70/72/541977072.db2.gz ZIRYKBVAMHGWKM-AWEZNQCLSA-N 1 0 279.403 3.137 50 0 CGAARO CCC[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccsc1 ZINC000187744983 375085382 /nfs/dbraw/zinc/08/53/82/375085382.db2.gz NEOXDTAFYKTDFX-QWHCGFSZSA-N 1 0 271.451 3.047 50 0 CGAARO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000187813523 375100025 /nfs/dbraw/zinc/10/00/25/375100025.db2.gz NBUKIKUDOOYSES-DGCLKSJQSA-N 1 0 273.355 3.206 50 0 CGAARO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000187813484 375100415 /nfs/dbraw/zinc/10/04/15/375100415.db2.gz NBUKIKUDOOYSES-WCQYABFASA-N 1 0 273.355 3.206 50 0 CGAARO c1ccc(C2=CC[N@H+](CC3CCOCC3)CC2)cc1 ZINC000095396202 541991721 /nfs/dbraw/zinc/99/17/21/541991721.db2.gz AQIDXXOSPBRTIN-UHFFFAOYSA-N 1 0 257.377 3.202 50 0 CGAARO C[C@@H](C[NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082245 375155289 /nfs/dbraw/zinc/15/52/89/375155289.db2.gz LGBZOIAZSNBIPU-FZMZJTMJSA-N 1 0 290.798 3.160 50 0 CGAARO C[C@H](C[NH2+][C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082270 375155334 /nfs/dbraw/zinc/15/53/34/375155334.db2.gz LGBZOIAZSNBIPU-RISCZKNCSA-N 1 0 290.798 3.160 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000215194851 376147433 /nfs/dbraw/zinc/14/74/33/376147433.db2.gz IRUBIADEWKNUCS-QGZVFWFLSA-N 1 0 283.419 3.498 50 0 CGAARO CS[C@H](C)CC[N@H+](C)Cc1cc(C(C)C)no1 ZINC000215960404 376153729 /nfs/dbraw/zinc/15/37/29/376153729.db2.gz DUWYJEOMWSSOEP-LLVKDONJSA-N 1 0 256.415 3.371 50 0 CGAARO CC1(C)C[C@@H](C[N@H+](Cc2ccccn2)C2CC2)CCO1 ZINC000216241201 376160390 /nfs/dbraw/zinc/16/03/90/376160390.db2.gz FAGHJQPDSNDAEX-AWEZNQCLSA-N 1 0 274.408 3.251 50 0 CGAARO CN(Cc1ccoc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000216330304 376161980 /nfs/dbraw/zinc/16/19/80/376161980.db2.gz OYXGPYSYINMCAP-QGZVFWFLSA-N 1 0 298.386 3.019 50 0 CGAARO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000216339468 376162463 /nfs/dbraw/zinc/16/24/63/376162463.db2.gz KDJZTQPBTVVZLA-JHJVBQTASA-N 1 0 251.395 3.019 50 0 CGAARO Fc1cnccc1NCc1coc(-c2ccccc2)n1 ZINC000225406468 376307995 /nfs/dbraw/zinc/30/79/95/376307995.db2.gz WUNZLAQDXUTAPS-UHFFFAOYSA-N 1 0 269.279 3.488 50 0 CGAARO Cc1cccc(C[NH2+]C2CCOCC2)c1Br ZINC000225537656 376314958 /nfs/dbraw/zinc/31/49/58/376314958.db2.gz VBOAUNVLVOCUHE-UHFFFAOYSA-N 1 0 284.197 3.026 50 0 CGAARO Cc1cn2c(n1)CC[C@@H]([NH2+]Cc1sccc1Cl)C2 ZINC000225609821 376318081 /nfs/dbraw/zinc/31/80/81/376318081.db2.gz OAYCPUKIINHEGW-SNVBAGLBSA-N 1 0 281.812 3.011 50 0 CGAARO C[N@H+](Cc1sccc1Cl)C1CCC(O)CC1 ZINC000225625605 376318186 /nfs/dbraw/zinc/31/81/86/376318186.db2.gz LBNOPJPTXNFSKX-UHFFFAOYSA-N 1 0 259.802 3.137 50 0 CGAARO [NH3+][C@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225615965 376318790 /nfs/dbraw/zinc/31/87/90/376318790.db2.gz RLZFLFBUPAOHCY-JTQLQIEISA-N 1 0 292.732 3.282 50 0 CGAARO Cc1ccc([C@H]2C[N@H+](CC3Cc4ccccc4C3)CCO2)o1 ZINC000225639216 376319772 /nfs/dbraw/zinc/31/97/72/376319772.db2.gz MJKMOCHUKAFUCW-LJQANCHMSA-N 1 0 297.398 3.376 50 0 CGAARO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC(C)C)nn1C ZINC000225733457 376323265 /nfs/dbraw/zinc/32/32/65/376323265.db2.gz FYNGGIXQKGLVLA-CYBMUJFWSA-N 1 0 251.418 3.451 50 0 CGAARO CCCC[N@H+](C[C@@H](O)COCc1ccccc1)[C@H](C)CC ZINC000239439252 376774631 /nfs/dbraw/zinc/77/46/31/376774631.db2.gz ZQJUMELBXTUJIN-SJLPKXTDSA-N 1 0 293.451 3.465 50 0 CGAARO CC[C@H](c1ccccc1)[N@H+](C)Cc1cncn1CC ZINC000240971717 376776214 /nfs/dbraw/zinc/77/62/14/376776214.db2.gz UBQUZASUZDHRKG-MRXNPFEDSA-N 1 0 257.381 3.486 50 0 CGAARO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000241144860 376776436 /nfs/dbraw/zinc/77/64/36/376776436.db2.gz JTRZUQOKFBARKS-LBPRGKRZSA-N 1 0 297.345 3.130 50 0 CGAARO CCC(CC)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000241316694 376778529 /nfs/dbraw/zinc/77/85/29/376778529.db2.gz LUBOZUIOPSVKRT-LLVKDONJSA-N 1 0 265.405 3.018 50 0 CGAARO COCC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)C)on1 ZINC000244811505 376799349 /nfs/dbraw/zinc/79/93/49/376799349.db2.gz SEAZSGXDOZQNPG-CQSZACIVSA-N 1 0 266.385 3.189 50 0 CGAARO c1cc2cc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)ccc2[nH]1 ZINC000244882604 376798719 /nfs/dbraw/zinc/79/87/19/376798719.db2.gz XUWJQBBQAVVDEB-AWEZNQCLSA-N 1 0 270.376 3.169 50 0 CGAARO Cc1ccc(C[n+]2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000252497426 377633049 /nfs/dbraw/zinc/63/30/49/377633049.db2.gz QHFSFPBVTUSNMQ-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO Cc1ccc(Cn2c[n+](Cc3cccc(Cl)c3)cn2)cc1 ZINC000252509909 377635255 /nfs/dbraw/zinc/63/52/55/377635255.db2.gz YYALXIHEFIGTGI-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000253415922 377688812 /nfs/dbraw/zinc/68/88/12/377688812.db2.gz CMMKYZIQGNSMHB-WOSRLPQWSA-N 1 0 275.392 3.317 50 0 CGAARO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000253415924 377690869 /nfs/dbraw/zinc/69/08/69/377690869.db2.gz CMMKYZIQGNSMHB-XJKCOSOUSA-N 1 0 275.392 3.317 50 0 CGAARO Fc1cccc([C@@H]2CC[C@H]([NH2+]CC3=CCCOC3)C2)c1 ZINC000253427519 377694040 /nfs/dbraw/zinc/69/40/40/377694040.db2.gz BZALKFHLWAVZTN-WBVHZDCISA-N 1 0 275.367 3.398 50 0 CGAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CCc1csc(C)n1 ZINC000348479509 378964081 /nfs/dbraw/zinc/96/40/81/378964081.db2.gz OUYAVRMXXGILGK-QWHCGFSZSA-N 1 0 270.467 3.258 50 0 CGAARO Clc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)o1 ZINC000352894853 380024292 /nfs/dbraw/zinc/02/42/92/380024292.db2.gz AGVQRQKXEFHBFD-UHFFFAOYSA-N 1 0 282.815 3.383 50 0 CGAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000334823471 207141317 /nfs/dbraw/zinc/14/13/17/207141317.db2.gz DBZQLAGWGILJSQ-MRXNPFEDSA-N 1 0 295.386 3.309 50 0 CGAARO C[C@@H]([NH2+]CC[C@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000004045984 184529949 /nfs/dbraw/zinc/52/99/49/184529949.db2.gz MZPCNGTVMWCXKX-DOMZBBRYSA-N 1 0 283.437 3.109 50 0 biogenic CGAARO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190291569 130085559 /nfs/dbraw/zinc/08/55/59/130085559.db2.gz QZCHGRDPILFHQK-ZFWWWQNUSA-N 1 0 293.457 3.326 50 0 CGAARO Cc1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000004980227 391923527 /nfs/dbraw/zinc/92/35/27/391923527.db2.gz VSDGYWKRSROVPK-DOTOQJQBSA-N 1 0 258.409 3.306 50 0 CGAARO COc1cccc(C[NH2+]Cc2cccc(OC)c2OC)c1 ZINC000005721009 391925270 /nfs/dbraw/zinc/92/52/70/391925270.db2.gz YETJNGIYWHZMPF-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098284 391975369 /nfs/dbraw/zinc/97/53/69/391975369.db2.gz YQPIAKQPMGGKIU-SFHVURJKSA-N 1 0 299.414 3.468 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000036968725 391978882 /nfs/dbraw/zinc/97/88/82/391978882.db2.gz LHJJKSLHILMBJN-ZDUSSCGKSA-N 1 0 277.368 3.184 50 0 CGAARO CCOC(=O)c1n[nH]cc1C[N@H+]([C@@H](C)CC)C1CCCC1 ZINC000055041997 392094195 /nfs/dbraw/zinc/09/41/95/392094195.db2.gz SETKBYYAZHHKFI-LBPRGKRZSA-N 1 0 293.411 3.130 50 0 CGAARO C[C@H]([C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1)n1cccn1 ZINC000069372675 392172377 /nfs/dbraw/zinc/17/23/77/392172377.db2.gz NAORZNGLVQVIIJ-NWDGAFQWSA-N 1 0 292.452 3.376 50 0 CGAARO c1ccn2c(c1)nnc2C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000071900498 392193361 /nfs/dbraw/zinc/19/33/61/392193361.db2.gz HZLCLHWCVGASIA-HNNXBMFYSA-N 1 0 282.391 3.017 50 0 CGAARO Cc1ccc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)o1 ZINC000096313923 392247842 /nfs/dbraw/zinc/24/78/42/392247842.db2.gz XGYLGEXUAYLSRB-QXMHVHEDSA-N 1 0 298.386 3.196 50 0 CGAARO CCn1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)cn1 ZINC000096456819 392255853 /nfs/dbraw/zinc/25/58/53/392255853.db2.gz RGQDIIRDWZXINF-SJCJKPOMSA-N 1 0 287.382 3.455 50 0 CGAARO c1ccc2c(c1)SCC[C@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC000096477727 392256709 /nfs/dbraw/zinc/25/67/09/392256709.db2.gz FAJLAJSMCIZKJZ-UKRRQHHQSA-N 1 0 293.432 3.009 50 0 CGAARO COc1c(C)cnc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C ZINC000132614237 392461455 /nfs/dbraw/zinc/46/14/55/392461455.db2.gz MCBKZSUNBGJUTM-AWEZNQCLSA-N 1 0 292.423 3.143 50 0 CGAARO CC(C)c1ccsc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343514434 393027850 /nfs/dbraw/zinc/02/78/50/393027850.db2.gz JSMNKFBAEJYKTJ-MRXNPFEDSA-N 1 0 292.448 3.087 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[N@H+](C)Cc2cc(C)cc(C)n2)n1 ZINC000670435271 543154528 /nfs/dbraw/zinc/15/45/28/543154528.db2.gz HLYVQAKQZBCRKB-MRXNPFEDSA-N 1 0 286.423 3.032 50 0 CGAARO Cc1cc(C)nc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000670450455 543155710 /nfs/dbraw/zinc/15/57/10/543155710.db2.gz YLVALMUIQNKADQ-OAHLLOKOSA-N 1 0 285.366 3.222 50 0 CGAARO CC(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058210308 397637015 /nfs/dbraw/zinc/63/70/15/397637015.db2.gz GSNCKKLRBICSKO-QGZVFWFLSA-N 1 0 288.435 3.061 50 0 CGAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CCC1 ZINC000093475834 165330375 /nfs/dbraw/zinc/33/03/75/165330375.db2.gz DHRPNHYWFMXAER-UHFFFAOYSA-N 1 0 259.328 3.200 50 0 CGAARO CCc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387775 287115664 /nfs/dbraw/zinc/11/56/64/287115664.db2.gz ZMQWTSHGPYWSME-GOSISDBHSA-N 1 0 285.387 3.324 50 0 CGAARO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002656364 169818792 /nfs/dbraw/zinc/81/87/92/169818792.db2.gz BSUZFJZIHMPIFE-UHFFFAOYSA-N 1 0 263.344 3.259 50 0 CGAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000004802703 170019288 /nfs/dbraw/zinc/01/92/88/170019288.db2.gz NXZOKQXDMWYTLD-SNVBAGLBSA-N 1 0 288.174 3.244 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000004999738 170052574 /nfs/dbraw/zinc/05/25/74/170052574.db2.gz SEZMSQPZBPOVDG-LLVKDONJSA-N 1 0 279.767 3.461 50 0 CGAARO COc1ccc(-c2nc(C[NH+]3CCCCC3)ccc2O)cc1 ZINC000005257201 170080366 /nfs/dbraw/zinc/08/03/66/170080366.db2.gz GVHFIOFXWMUXGR-UHFFFAOYSA-N 1 0 298.386 3.449 50 0 CGAARO CCc1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1 ZINC000005954389 170161620 /nfs/dbraw/zinc/16/16/20/170161620.db2.gz RGGSRZOEVPRHEO-UHFFFAOYSA-N 1 0 291.435 3.376 50 0 CGAARO COc1ccc(C)cc1NC(=O)C[NH+]1CCCCCCC1 ZINC000006790844 170244405 /nfs/dbraw/zinc/24/44/05/170244405.db2.gz IZICVIVKTKWNHK-UHFFFAOYSA-N 1 0 290.407 3.208 50 0 CGAARO [NH3+][C@@H](c1ccccc1)c1ccccc1Br ZINC000020391310 171180016 /nfs/dbraw/zinc/18/00/16/171180016.db2.gz SPVWGVSMLZCEQX-ZDUSSCGKSA-N 1 0 262.150 3.497 50 0 CGAARO Cc1ccc(C(C)C)cc1OCCC[NH2+]CCN(C)C ZINC000020418898 171183935 /nfs/dbraw/zinc/18/39/35/171183935.db2.gz XRKAGGBBHYBBCO-UHFFFAOYSA-N 1 0 278.440 3.039 50 0 CGAARO Cc1cc(C[N@@H+](C)CC2(c3ccccc3F)CC2)on1 ZINC000020537025 171241102 /nfs/dbraw/zinc/24/11/02/171241102.db2.gz BVHLMRNDYWEKED-UHFFFAOYSA-N 1 0 274.339 3.286 50 0 CGAARO Fc1ccc(C[C@H]2C[N@@H+](C3CCCC3)CCO2)cc1 ZINC000020993469 171283670 /nfs/dbraw/zinc/28/36/70/171283670.db2.gz DPTVIKKQOQCWOX-INIZCTEOSA-N 1 0 263.356 3.012 50 0 CGAARO Fc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000021635817 171317867 /nfs/dbraw/zinc/31/78/67/171317867.db2.gz YWTFBVDOFVPFSO-UHFFFAOYSA-N 1 0 267.307 3.059 50 0 CGAARO c1ccc([C@@H]2NCC[NH+]=C2NC2CCCCCC2)cc1 ZINC000021883569 171335741 /nfs/dbraw/zinc/33/57/41/171335741.db2.gz GXNDJWXUTYLMRI-INIZCTEOSA-N 1 0 271.408 3.042 50 0 CGAARO C[C@@H]([NH3+])c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000022163532 171364682 /nfs/dbraw/zinc/36/46/82/171364682.db2.gz MSAWHMUMJSILBI-LLVKDONJSA-N 1 0 272.323 3.027 50 0 CGAARO Clc1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000039953920 174177919 /nfs/dbraw/zinc/17/79/19/174177919.db2.gz FSKQIVVSAFWLOP-QMMMGPOBSA-N 1 0 290.588 3.091 50 0 CGAARO CC[N@@H+]1CCC[C@H](Nc2nc3ccccc3s2)C1 ZINC000040503233 174299550 /nfs/dbraw/zinc/29/95/50/174299550.db2.gz FMHOVBNOQUQOEE-NSHDSACASA-N 1 0 261.394 3.193 50 0 CGAARO c1ccc(CCN2CC[C@H]([NH2+]Cc3ccccc3)C2)cc1 ZINC000040671126 174368949 /nfs/dbraw/zinc/36/89/49/174368949.db2.gz HOYHDFUODJAJII-IBGZPJMESA-N 1 0 280.415 3.093 50 0 CGAARO C[NH+](C)CCCCCCCNC(=O)NC1CCCCC1 ZINC000068463032 175809249 /nfs/dbraw/zinc/80/92/49/175809249.db2.gz KFZDJWXRBKBYDD-UHFFFAOYSA-N 1 0 283.460 3.130 50 0 CGAARO CCNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000072289610 176361505 /nfs/dbraw/zinc/36/15/05/176361505.db2.gz ITPFJMHKZSRBNH-GDBMZVCRSA-N 1 0 291.439 3.071 50 0 CGAARO NC(=[NH2+])NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000076105975 176914851 /nfs/dbraw/zinc/91/48/51/176914851.db2.gz NZIVFMOGXJXGIB-UHFFFAOYSA-N 1 0 285.313 3.000 50 0 CGAARO CN(C)c1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000078757928 177382913 /nfs/dbraw/zinc/38/29/13/177382913.db2.gz ZDADTLCJKRCOJR-UHFFFAOYSA-N 1 0 264.756 3.289 50 0 CGAARO c1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)ccn1 ZINC000078802082 177390406 /nfs/dbraw/zinc/39/04/06/177390406.db2.gz AXFHUCVHRJVIHD-GOSISDBHSA-N 1 0 287.451 3.170 50 0 CGAARO Cc1ccsc1C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000049283283 416469972 /nfs/dbraw/zinc/46/99/72/416469972.db2.gz XPRFNMGTKJHTTB-UHFFFAOYSA-N 1 0 263.410 3.367 50 0 CGAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000049886826 416476678 /nfs/dbraw/zinc/47/66/78/416476678.db2.gz KXLNNJYVXFQXHR-QGZVFWFLSA-N 1 0 289.325 3.057 50 0 CGAARO C[C@@H]1c2cccn2CC[N@H+]1CCCc1ccccc1 ZINC000048375345 416450458 /nfs/dbraw/zinc/45/04/58/416450458.db2.gz WILSKULQTPVQLR-OAHLLOKOSA-N 1 0 254.377 3.498 50 0 CGAARO O=c1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)nc2ccccc21 ZINC000685939501 544110301 /nfs/dbraw/zinc/11/03/01/544110301.db2.gz VGKOIFXVVWYIKY-CZUORRHYSA-N 1 0 297.402 3.490 50 0 CGAARO O[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657373798 419263566 /nfs/dbraw/zinc/26/35/66/419263566.db2.gz CERDTKQDCQFLGQ-GXTWGEPZSA-N 1 0 293.382 3.008 50 0 CGAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757571 260127955 /nfs/dbraw/zinc/12/79/55/260127955.db2.gz LAEGLZHANONKKC-SJCJKPOMSA-N 1 0 298.361 3.430 50 0 CGAARO CC(C)[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019889623 273532292 /nfs/dbraw/zinc/53/22/92/273532292.db2.gz RTOHSCUSPAOZPD-UHFFFAOYSA-N 1 0 286.341 3.231 50 0 CGAARO CC(C)[C@H](CNC(=O)Nc1ccccc1F)[NH+]1CCCC1 ZINC000032907377 273553643 /nfs/dbraw/zinc/55/36/43/273553643.db2.gz FRWGOVZSQZPDCI-HNNXBMFYSA-N 1 0 293.386 3.068 50 0 CGAARO CCCC1CCC(C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000089949969 273603139 /nfs/dbraw/zinc/60/31/39/273603139.db2.gz DKUQRYVNKYUDBN-FHERZECASA-N 1 0 263.429 3.468 50 0 CGAARO [NH3+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000020285937 274953894 /nfs/dbraw/zinc/95/38/94/274953894.db2.gz XPAVXOWMUTZOFW-UHFFFAOYSA-N 1 0 263.344 3.057 50 0 CGAARO O[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000019371907 275056208 /nfs/dbraw/zinc/05/62/08/275056208.db2.gz BLZVNGKZYVMGGU-GUDVDZBRSA-N 1 0 279.383 3.339 50 0 CGAARO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037031598 276024304 /nfs/dbraw/zinc/02/43/04/276024304.db2.gz ZHISISWWPBYLEY-NEPJUHHUSA-N 1 0 298.839 3.121 50 0 CGAARO Cc1ccsc1[C@@H](C[NH2+]C1CCSCC1)N(C)C ZINC000065380838 278996315 /nfs/dbraw/zinc/99/63/15/278996315.db2.gz FEFFLCFFKHHOAB-CYBMUJFWSA-N 1 0 284.494 3.144 50 0 CGAARO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000527678914 288187479 /nfs/dbraw/zinc/18/74/79/288187479.db2.gz WPCNPZJBTKWPHN-PYTWLRIVSA-N 1 0 296.418 3.353 50 0 CGAARO O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000008553090 280437878 /nfs/dbraw/zinc/43/78/78/280437878.db2.gz KUYBDOWEEWZIMG-QLFBSQMISA-N 1 0 265.784 3.296 50 0 biogenic CGAARO C[NH+](C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004031240 289160577 /nfs/dbraw/zinc/16/05/77/289160577.db2.gz VAKMKOXCESUTKU-UHFFFAOYSA-N 1 0 292.467 3.051 50 0 CGAARO O=C(NCCC[NH2+][C@H]1CCCc2sccc21)C1CCC1 ZINC000090184105 303768704 /nfs/dbraw/zinc/76/87/04/303768704.db2.gz VZQPSMVZERLGBO-AWEZNQCLSA-N 1 0 292.448 3.022 50 0 CGAARO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761352 327721617 /nfs/dbraw/zinc/72/16/17/327721617.db2.gz LHSYRVKUPAYFFV-ZIAGYGMSSA-N 1 0 280.437 3.190 50 0 CGAARO Cc1n[nH]c(C)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000534654506 328339041 /nfs/dbraw/zinc/33/90/41/328339041.db2.gz HPFNECHUDIWLNL-CQSZACIVSA-N 1 0 285.391 3.087 50 0 CGAARO C[C@@H]([NH2+]Cc1nn(C)c2cccc(Cl)c12)C1CC1 ZINC000534670939 328347499 /nfs/dbraw/zinc/34/74/99/328347499.db2.gz FQASWCFBRWRKJY-SECBINFHSA-N 1 0 263.772 3.115 50 0 CGAARO Cc1cccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000007811367 326821947 /nfs/dbraw/zinc/82/19/47/326821947.db2.gz PVCICENBYIVPQH-CHWSQXEVSA-N 1 0 274.408 3.220 50 0 CGAARO CCc1ccc(C[NH2+]CC2(COC)CCC2)s1 ZINC000383686066 336116573 /nfs/dbraw/zinc/11/65/73/336116573.db2.gz PSYULXDHFVSJQD-UHFFFAOYSA-N 1 0 253.411 3.217 50 0 CGAARO CCC[NH+]1CCC(NCc2ccc(Cl)cc2)CC1 ZINC000000757619 528204605 /nfs/dbraw/zinc/20/46/05/528204605.db2.gz UCAXRWOOSCXNNS-UHFFFAOYSA-N 1 0 266.816 3.304 50 0 CGAARO CCOCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424259557 528780556 /nfs/dbraw/zinc/78/05/56/528780556.db2.gz CTMNIQYZIKIQSG-CQSZACIVSA-N 1 0 276.405 3.053 50 0 CGAARO CC[N@H+](C)Cc1cncc(-c2cc(OC)ccc2OC)c1 ZINC000037554235 570248493 /nfs/dbraw/zinc/24/84/93/570248493.db2.gz TVNBKFQFLUNYCX-UHFFFAOYSA-N 1 0 286.375 3.218 50 0 CGAARO CC[C@H](C(=O)NCCCc1ccccc1Cl)[N@H+](C)CC ZINC000952969987 615606418 /nfs/dbraw/zinc/60/64/18/615606418.db2.gz HMDBSOXIXSAAPD-OAHLLOKOSA-N 1 0 296.842 3.119 50 0 CGAARO CCc1nc(C)c(CNCC[C@@H]2CCCC[N@@H+]2C(C)C)[nH]1 ZINC000952990635 615737315 /nfs/dbraw/zinc/73/73/15/615737315.db2.gz RYMXEIUVVCERTQ-HNNXBMFYSA-N 1 0 292.471 3.023 50 0 CGAARO CC[NH2+]Cc1cc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000050479040 618107992 /nfs/dbraw/zinc/10/79/92/618107992.db2.gz LHHWHRPQJQMOIF-UHFFFAOYSA-N 1 0 257.381 3.484 50 0 CGAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000066665347 618870926 /nfs/dbraw/zinc/87/09/26/618870926.db2.gz MRIBLKKUFUTZGY-PHIMTYICSA-N 1 0 261.325 3.093 50 0 CGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000019742852 618970442 /nfs/dbraw/zinc/97/04/42/618970442.db2.gz FFIUTWVRDQDEDC-HOTGVXAUSA-N 1 0 292.467 3.360 50 0 CGAARO c1cn(C[C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)cn1 ZINC000020351035 618977532 /nfs/dbraw/zinc/97/75/32/618977532.db2.gz RCMMMZPAVIGHMH-INIZCTEOSA-N 1 0 294.402 3.277 50 0 CGAARO C/C=C(\F)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000888095577 619259053 /nfs/dbraw/zinc/25/90/53/619259053.db2.gz OHMHAMZYZBLYRN-QCDXTXTGSA-N 1 0 261.300 3.129 50 0 CGAARO CCCC[C@H]([NH3+])C(=O)N(Cc1ccc(C)s1)C1CC1 ZINC000952977556 636777129 /nfs/dbraw/zinc/77/71/29/636777129.db2.gz KHOBVKWGVCFIJW-AWEZNQCLSA-N 1 0 280.437 3.065 50 0 CGAARO [NH3+]Cc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)cs1 ZINC000935618079 639835888 /nfs/dbraw/zinc/83/58/88/639835888.db2.gz GWYHFSVLWVLCMG-CQSZACIVSA-N 1 0 275.373 3.042 50 0 CGAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc2cc3c(cc12)CCC3 ZINC000016667794 641016030 /nfs/dbraw/zinc/01/60/30/641016030.db2.gz DEIAZTMFVPQIAG-UHFFFAOYSA-N 1 0 295.430 3.174 50 0 CGAARO COc1cc(CN(C)Cc2cc(C)no2)c2ccccc2n1 ZINC000020149217 641039840 /nfs/dbraw/zinc/03/98/40/641039840.db2.gz VVJRDIKGDSDINS-UHFFFAOYSA-N 1 0 297.358 3.172 50 0 CGAARO c1cc(C[NH2+][C@@H]2CCCN(CCCc3ccccc3)C2)co1 ZINC000020390364 641041430 /nfs/dbraw/zinc/04/14/30/641041430.db2.gz HJOJHUOJEIZITO-LJQANCHMSA-N 1 0 298.430 3.466 50 0 CGAARO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)o1 ZINC000585125911 799677716 /nfs/dbraw/zinc/67/77/16/799677716.db2.gz ILDVMSRYRUULKX-VXGBXAGGSA-N 1 0 298.814 3.268 50 0 CGAARO C[C@H](CC1CCCC1)[NH2+]Cc1nc(C(F)F)no1 ZINC000585138165 799680333 /nfs/dbraw/zinc/68/03/33/799680333.db2.gz SKEANLCRJLKNEL-MRVPVSSYSA-N 1 0 259.300 3.066 50 0 CGAARO CC[C@@H](C(=O)NCc1cccc2ccccc21)[N@H+](C)CC ZINC000822555807 800461819 /nfs/dbraw/zinc/46/18/19/800461819.db2.gz PBOCFELIUNYMOJ-KRWDZBQOSA-N 1 0 284.403 3.186 50 0 CGAARO Cc1nc([C@H](C)[N@H+](C)C2CCCCC2)n(-c2cccnc2)n1 ZINC000823652671 800467797 /nfs/dbraw/zinc/46/77/97/800467797.db2.gz ZLAXYQTUQXEVNO-ZDUSSCGKSA-N 1 0 299.422 3.296 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)c1nc(-c2cccc(F)c2)n[nH]1 ZINC000826621351 800476926 /nfs/dbraw/zinc/47/69/26/800476926.db2.gz LDGNIQDETWRSQE-GFCCVEGCSA-N 1 0 288.370 3.200 50 0 CGAARO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000952845727 800684902 /nfs/dbraw/zinc/68/49/02/800684902.db2.gz LFYSAOFYTJUHIP-CYBMUJFWSA-N 1 0 288.416 3.068 50 0 CGAARO COC(=O)C(C)(C)[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000952884373 800687610 /nfs/dbraw/zinc/68/76/10/800687610.db2.gz ZJAZPCMCWWSXRU-ZIAGYGMSSA-N 1 0 293.432 3.022 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[NH2+]C2(c3ccc(C)cc3)CC2)n1 ZINC001506396034 937989410 /nfs/dbraw/zinc/98/94/10/937989410.db2.gz GEVVCCLXNQBGQF-HNNXBMFYSA-N 1 0 283.419 3.476 50 0 CGAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1ccnn1-c1ccccc1 ZINC001506403130 937989639 /nfs/dbraw/zinc/98/96/39/937989639.db2.gz RNJYLEPMIZWRJW-SFHVURJKSA-N 1 0 299.418 3.263 50 0 CGAARO C([NH2+]C1CSCCSC1)[C@H]1CC12CCCCC2 ZINC001506401817 937989684 /nfs/dbraw/zinc/98/96/84/937989684.db2.gz ODEYSHFOJQMTOC-GFCCVEGCSA-N 1 0 271.495 3.395 50 0 CGAARO C([NH2+]C1CSCCSC1)[C@@H]1CC12CCCCC2 ZINC001506401868 937989739 /nfs/dbraw/zinc/98/97/39/937989739.db2.gz ODEYSHFOJQMTOC-LBPRGKRZSA-N 1 0 271.495 3.395 50 0 CGAARO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nccc2ccccc21 ZINC001506422355 937990080 /nfs/dbraw/zinc/99/00/80/937990080.db2.gz QNQGMKXEIPRBDN-HUUCEWRRSA-N 1 0 255.365 3.129 50 0 CGAARO CCN(C)c1ccnc(N[C@@H](C)Cc2ccsc2)n1 ZINC001529191475 938071533 /nfs/dbraw/zinc/07/15/33/938071533.db2.gz ZRIJWLFTBHKECA-NSHDSACASA-N 1 0 276.409 3.037 50 0 CGAARO O=C(NC1CC[NH+](C[C@H]2CC=CCC2)CC1)c1ccccc1 ZINC000096489527 230382435 /nfs/dbraw/zinc/38/24/35/230382435.db2.gz YLENDGJJHBQQKV-INIZCTEOSA-N 1 0 298.430 3.237 50 0 CGAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000097657319 230387048 /nfs/dbraw/zinc/38/70/48/230387048.db2.gz XSSBCYUVUJSWMF-QGZVFWFLSA-N 1 0 283.419 3.151 50 0 CGAARO C[C@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)[NH+](C)C ZINC000426372017 230416031 /nfs/dbraw/zinc/41/60/31/230416031.db2.gz JRFQLWCMUADSDY-LLVKDONJSA-N 1 0 286.350 3.214 50 0 CGAARO CC[C@@H]([NH2+][C@H](C)c1ccc(OCCO)c(OC)c1)C(C)C ZINC000095967426 185046773 /nfs/dbraw/zinc/04/67/73/185046773.db2.gz YRYXWVUUBTVXQD-UKRRQHHQSA-N 1 0 295.423 3.152 50 0 CGAARO Cc1cc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c(C)s1 ZINC000095969271 185048137 /nfs/dbraw/zinc/04/81/37/185048137.db2.gz MAQRPPCGCKRLKB-GXTWGEPZSA-N 1 0 283.437 3.211 50 0 CGAARO CC[C@@H](C(=O)Nc1ccc(O)c(-c2ccccc2)c1)[NH+](C)C ZINC000095973981 185050029 /nfs/dbraw/zinc/05/00/29/185050029.db2.gz GLJXQLAYOBJWFB-INIZCTEOSA-N 1 0 298.386 3.338 50 0 CGAARO Cc1ncccc1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095978205 185051531 /nfs/dbraw/zinc/05/15/31/185051531.db2.gz OMLSGFXBIOKDMZ-PXAZEXFGSA-N 1 0 288.366 3.131 50 0 CGAARO C[C@H]([NH2+]CCCc1nc2ccccc2o1)C1CCOCC1 ZINC000095985372 185055115 /nfs/dbraw/zinc/05/51/15/185055115.db2.gz ZPNFUMUNRQXTHN-ZDUSSCGKSA-N 1 0 288.391 3.165 50 0 CGAARO C[NH2+]CCCN1c2ccccc2-c2ccccc2NC1=O ZINC000002015184 344857433 /nfs/dbraw/zinc/85/74/33/344857433.db2.gz PIZXGKRCKLWTGD-UHFFFAOYSA-N 1 0 281.359 3.315 50 0 CGAARO COCCC[NH2+]CCCCOc1cc(C)cc(C)c1C ZINC000022170649 344895026 /nfs/dbraw/zinc/89/50/26/344895026.db2.gz XQTVCQNRNXGBEN-UHFFFAOYSA-N 1 0 279.424 3.397 50 0 CGAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000025876397 344904452 /nfs/dbraw/zinc/90/44/52/344904452.db2.gz HYYKNQLEDUWUJZ-UHFFFAOYSA-N 1 0 280.437 3.096 50 0 CGAARO FC(F)(F)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000064571050 345263120 /nfs/dbraw/zinc/26/31/20/345263120.db2.gz PVZQBPNWODBTFX-HNNXBMFYSA-N 1 0 298.352 3.376 50 0 CGAARO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000075604957 345514957 /nfs/dbraw/zinc/51/49/57/345514957.db2.gz QJIYSRRZDGQLSC-STQMWFEESA-N 1 0 297.830 3.088 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000089895756 345776565 /nfs/dbraw/zinc/77/65/65/345776565.db2.gz OFJRYXXVFYPYQM-HUUCEWRRSA-N 1 0 298.434 3.286 50 0 CGAARO CCOC(=O)NCCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000096027377 345901738 /nfs/dbraw/zinc/90/17/38/345901738.db2.gz NLULHUMIXJLZBN-UHFFFAOYSA-N 1 0 294.439 3.071 50 0 CGAARO CC(C)(C)[NH2+]CCCCNC(=O)c1ccc(Cl)cc1 ZINC000096027373 345902019 /nfs/dbraw/zinc/90/20/19/345902019.db2.gz SJRSGRAROIWBBB-UHFFFAOYSA-N 1 0 282.815 3.238 50 0 CGAARO CCc1nnc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)s1 ZINC000097103335 345906650 /nfs/dbraw/zinc/90/66/50/345906650.db2.gz OPJXESHWJGVLPU-QWRGUYRKSA-N 1 0 253.415 3.111 50 0 CGAARO Cc1cccc(C2CC([NH2+][C@H](C)CO[C@H]3CCOC3)C2)c1 ZINC000097373025 345907643 /nfs/dbraw/zinc/90/76/43/345907643.db2.gz YGTRKBCDLSPICM-LTDKPHRXSA-N 1 0 289.419 3.025 50 0 CGAARO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)nc1 ZINC000097378277 345908859 /nfs/dbraw/zinc/90/88/59/345908859.db2.gz QHFGHGFRAIMTRQ-INIZCTEOSA-N 1 0 290.794 3.041 50 0 CGAARO Fc1c(Cl)cccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000133066186 346075030 /nfs/dbraw/zinc/07/50/30/346075030.db2.gz FKZUSHCESSMNEL-UHFFFAOYSA-N 1 0 299.773 3.254 50 0 CGAARO COCc1cc(C[NH2+][C@H](C)C[C@H]2CCCO2)ccc1F ZINC000170670416 346196792 /nfs/dbraw/zinc/19/67/92/346196792.db2.gz YJHXHVRVCMFZRN-IUODEOHRSA-N 1 0 281.371 3.019 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)cc1C ZINC000195558115 346273672 /nfs/dbraw/zinc/27/36/72/346273672.db2.gz MBLBOWYKHTVRJV-ZBFHGGJFSA-N 1 0 299.418 3.174 50 0 CGAARO C[C@H](C[NH2+]CCc1ccnn1C)c1cccc(Cl)c1 ZINC000195573542 346274667 /nfs/dbraw/zinc/27/46/67/346274667.db2.gz XBQXXFVCJOWXDH-GFCCVEGCSA-N 1 0 277.799 3.009 50 0 CGAARO Cc1cccc(C)c1NC(=O)N1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000585140045 346725198 /nfs/dbraw/zinc/72/51/98/346725198.db2.gz ASLHLRBGEFTGTG-UHFFFAOYSA-N 1 0 289.423 3.298 50 0 CGAARO Cc1cc(N2CCO[C@H](c3cccs3)C2)cc[nH+]1 ZINC000253419296 136593522 /nfs/dbraw/zinc/59/35/22/136593522.db2.gz KYMKNDKBLIHJIS-ZDUSSCGKSA-N 1 0 260.362 3.029 50 0 CGAARO O[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000601013399 347852123 /nfs/dbraw/zinc/85/21/23/347852123.db2.gz RRVCCPCWJKCTCG-ROUUACIJSA-N 1 0 267.372 3.037 50 0 CGAARO CC[C@]1(CO)CCC[N@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000091635899 180211048 /nfs/dbraw/zinc/21/10/48/180211048.db2.gz WGRBGSXNXDQCGJ-JXTAAOLFSA-N 1 0 289.419 3.193 50 0 CGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2ccccn2)C1 ZINC000091624729 180209246 /nfs/dbraw/zinc/20/92/46/180209246.db2.gz JHNNHEFGIXHXSK-KRWDZBQOSA-N 1 0 274.408 3.012 50 0 CGAARO C=Cc1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)c1 ZINC000091724513 180242306 /nfs/dbraw/zinc/24/23/06/180242306.db2.gz MJWCOMJHRMEMOO-KDOFPFPSSA-N 1 0 271.404 3.313 50 0 CGAARO Cn1ccnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000092080712 180318962 /nfs/dbraw/zinc/31/89/62/180318962.db2.gz YCLYEKYODMCHKD-UHFFFAOYSA-N 1 0 283.419 3.232 50 0 CGAARO Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000092427508 180383755 /nfs/dbraw/zinc/38/37/55/180383755.db2.gz IBXWXOLAFNHGNU-SFHVURJKSA-N 1 0 299.418 3.182 50 0 CGAARO Cc1ncc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000336477785 213348814 /nfs/dbraw/zinc/34/88/14/213348814.db2.gz PJKBNFAZBKGCCI-OAHLLOKOSA-N 1 0 287.794 3.428 50 0 CGAARO c1[nH]nc2cc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)ccc12 ZINC000127075047 138387996 /nfs/dbraw/zinc/38/79/96/138387996.db2.gz GXIXVGFHVHXLHJ-QGZVFWFLSA-N 1 0 292.386 3.249 50 0 CGAARO C/C(=C\c1ccccc1)C[NH+]1CCC(n2cncn2)CC1 ZINC000179702904 189214905 /nfs/dbraw/zinc/21/49/05/189214905.db2.gz HLGVIBIKGVHBAX-RVDMUPIBSA-N 1 0 282.391 3.019 50 0 CGAARO C[C@@](O)(C[NH2+]C1CC(c2ccc(F)cc2)C1)c1ccco1 ZINC000180662894 189268695 /nfs/dbraw/zinc/26/86/95/189268695.db2.gz UUGGZOPHHRDDDW-PUJMQQBBSA-N 1 0 289.350 3.162 50 0 CGAARO CC[C@@]1(C)C[C@](CC[NH3+])(c2ccc(OC)cc2)CCO1 ZINC000000171737 368308477 /nfs/dbraw/zinc/30/84/77/368308477.db2.gz JSZSRSVBYOBTJA-DLBZAZTESA-N 1 0 277.408 3.261 50 0 biogenic CGAARO COc1cccc(C[NH2+]Cc2ccc(OC)cc2OC)c1 ZINC000000172177 368308510 /nfs/dbraw/zinc/30/85/10/368308510.db2.gz PRKZXYUGWVSZGE-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc2c(c1)CCC2 ZINC000000176261 368309184 /nfs/dbraw/zinc/30/91/84/368309184.db2.gz BJQBFGIYHKZZHW-UHFFFAOYSA-N 1 0 286.419 3.380 50 0 CGAARO Cc1c(CC[NH3+])c2ccccc2n1-c1ccccc1 ZINC000000185928 368311998 /nfs/dbraw/zinc/31/19/98/368311998.db2.gz PQXYDILHRHTDJI-UHFFFAOYSA-N 1 0 250.345 3.440 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1OC ZINC000000355379 368347156 /nfs/dbraw/zinc/34/71/56/368347156.db2.gz ODTQDKLLCBJJHE-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 biogenic CGAARO Cc1ccc(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000000514738 368381778 /nfs/dbraw/zinc/38/17/78/368381778.db2.gz GHBVWINBXUTERL-UHFFFAOYSA-N 1 0 288.435 3.342 50 0 CGAARO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000002651797 368470600 /nfs/dbraw/zinc/47/06/00/368470600.db2.gz YTTMUPXEJBJMBZ-GOSISDBHSA-N 1 0 280.371 3.034 50 0 CGAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000002694398 368472806 /nfs/dbraw/zinc/47/28/06/368472806.db2.gz GSORGCKTOGAQPD-CVEARBPZSA-N 1 0 291.435 3.426 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1cc(C)ccc1C ZINC000002765209 368476905 /nfs/dbraw/zinc/47/69/05/368476905.db2.gz ZFQTZVWWJCOPMP-UHFFFAOYSA-N 1 0 262.397 3.364 50 0 CGAARO CC(C)(C)c1ccccc1OCCOCC[NH+]1CCCC1 ZINC000002896820 368485955 /nfs/dbraw/zinc/48/59/55/368485955.db2.gz PBQXZGGQXMJJJY-UHFFFAOYSA-N 1 0 291.435 3.475 50 0 CGAARO CC(C)(C)[NH2+]CCOCCOc1ccc(Cl)cc1 ZINC000002981167 368486424 /nfs/dbraw/zinc/48/64/24/368486424.db2.gz XWVWOFJNEQLKQF-UHFFFAOYSA-N 1 0 271.788 3.124 50 0 CGAARO CC(C)Oc1ccccc1OCCOCC[NH2+]C(C)(C)C ZINC000002980657 368486790 /nfs/dbraw/zinc/48/67/90/368486790.db2.gz WBDGKJKABXEXPP-UHFFFAOYSA-N 1 0 295.423 3.257 50 0 CGAARO CCCC[N@H+](C)CCOCCOc1ccccc1OCC ZINC000003003718 368488026 /nfs/dbraw/zinc/48/80/26/368488026.db2.gz XIJVMXBGXQZOEY-UHFFFAOYSA-N 1 0 295.423 3.213 50 0 CGAARO CCc1cccc(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000003003791 368488151 /nfs/dbraw/zinc/48/81/51/368488151.db2.gz XXUGLPIIMXVFLR-UHFFFAOYSA-N 1 0 265.397 3.033 50 0 CGAARO C[C@H]([NH2+]CC[C@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000004045983 368528510 /nfs/dbraw/zinc/52/85/10/368528510.db2.gz MZPCNGTVMWCXKX-WFASDCNBSA-N 1 0 283.437 3.109 50 0 biogenic CGAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1 ZINC000003865238 368521781 /nfs/dbraw/zinc/52/17/81/368521781.db2.gz YTVBIIWCZUTCRJ-YESZJQIVSA-N 1 0 291.435 3.306 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000004305145 368542130 /nfs/dbraw/zinc/54/21/30/368542130.db2.gz VYFIGFSVSVWBNN-GUYCJALGSA-N 1 0 291.435 3.083 50 0 CGAARO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)O)o2)cc1Cl ZINC000004344244 368542876 /nfs/dbraw/zinc/54/28/76/368542876.db2.gz AWEZFGYWQMKKIQ-SNVBAGLBSA-N 1 0 295.766 3.079 50 0 CGAARO Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)s1 ZINC000004488519 368546982 /nfs/dbraw/zinc/54/69/82/368546982.db2.gz XXZOSQCOGWRGAB-UHFFFAOYSA-N 1 0 261.346 3.075 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1C ZINC000010543004 368583431 /nfs/dbraw/zinc/58/34/31/368583431.db2.gz ZJXWZJBCCQEXAJ-INIZCTEOSA-N 1 0 288.435 3.379 50 0 CGAARO O=C(C[NH+]1CCCCCC1)Nc1cccc2ncccc21 ZINC000011725782 368594173 /nfs/dbraw/zinc/59/41/73/368594173.db2.gz MDDZJJRQVMEXSH-UHFFFAOYSA-N 1 0 283.375 3.049 50 0 CGAARO Cc1sc(NCCC[NH+](C)C)nc1-c1ccccc1 ZINC000012792800 368628161 /nfs/dbraw/zinc/62/81/61/368628161.db2.gz LZXKSLCKRODSQX-UHFFFAOYSA-N 1 0 275.421 3.482 50 0 CGAARO CCOc1ccccc1C[NH2+]CCc1ccccc1OC ZINC000013718758 368664017 /nfs/dbraw/zinc/66/40/17/368664017.db2.gz SOBDYTGSGKUBOC-UHFFFAOYSA-N 1 0 285.387 3.426 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000014964799 368687050 /nfs/dbraw/zinc/68/70/50/368687050.db2.gz TXOKKCWEWMXAFP-OAHLLOKOSA-N 1 0 250.361 3.358 50 0 CGAARO Cc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000019789408 368765409 /nfs/dbraw/zinc/76/54/09/368765409.db2.gz IJYLRRDOYJBNNB-UHFFFAOYSA-N 1 0 258.409 3.055 50 0 CGAARO Cc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019789384 368765761 /nfs/dbraw/zinc/76/57/61/368765761.db2.gz WQCQTBZXCZECIR-GOSISDBHSA-N 1 0 284.447 3.469 50 0 CGAARO Cc1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019361664 368750426 /nfs/dbraw/zinc/75/04/26/368750426.db2.gz NGBBBABDNNOQAO-SFHVURJKSA-N 1 0 284.447 3.469 50 0 CGAARO FC(F)(F)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000019429632 368752695 /nfs/dbraw/zinc/75/26/95/368752695.db2.gz JRSKSWUTYQLNLB-JTQLQIEISA-N 1 0 259.271 3.084 50 0 CGAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000023281575 368819532 /nfs/dbraw/zinc/81/95/32/368819532.db2.gz YVIWHNNMHVYXMF-INIZCTEOSA-N 1 0 277.408 3.070 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccco2)cc1 ZINC000023283532 368819771 /nfs/dbraw/zinc/81/97/71/368819771.db2.gz RYSCDVYACDVDPI-CYBMUJFWSA-N 1 0 259.349 3.399 50 0 CGAARO C[C@H]1C[NH+](CCCSc2ccccc2)C[C@H](C)O1 ZINC000019989072 368792507 /nfs/dbraw/zinc/79/25/07/368792507.db2.gz OPPRKVAYVFXZIZ-KBPBESRZSA-N 1 0 265.422 3.278 50 0 CGAARO Cc1ccn2c(c1)nc(-c1ccccc1)c2C[NH+](C)C ZINC000031933031 368920600 /nfs/dbraw/zinc/92/06/00/368920600.db2.gz PRSDSKZWNOOOPI-UHFFFAOYSA-N 1 0 265.360 3.371 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CC2(C)CC2)c(C)c1 ZINC000032578223 368936187 /nfs/dbraw/zinc/93/61/87/368936187.db2.gz NXUOFEBMOXRXAC-JKSUJKDBSA-N 1 0 291.435 3.211 50 0 CGAARO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000032561055 368936234 /nfs/dbraw/zinc/93/62/34/368936234.db2.gz RMUYYGBRKXYDEH-SMDDNHRTSA-N 1 0 289.341 3.243 50 0 CGAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCC1 ZINC000032778086 368944309 /nfs/dbraw/zinc/94/43/09/368944309.db2.gz VNQOWKADACVBAH-UHFFFAOYSA-N 1 0 286.419 3.089 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099383 369008421 /nfs/dbraw/zinc/00/84/21/369008421.db2.gz BDOXPSWTKNOCFU-ZBFHGGJFSA-N 1 0 299.480 3.382 50 0 CGAARO CCC[C@@H](O)C[N@H+](CCC)Cc1cccc(OC)c1 ZINC000036100228 369009465 /nfs/dbraw/zinc/00/94/65/369009465.db2.gz MOBAJTMAVXZVLW-OAHLLOKOSA-N 1 0 265.397 3.068 50 0 CGAARO Cc1ccsc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000037986417 369133433 /nfs/dbraw/zinc/13/34/33/369133433.db2.gz FQCBFYWRWSEENW-CYBMUJFWSA-N 1 0 259.374 3.150 50 0 CGAARO c1coc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000039466719 369150320 /nfs/dbraw/zinc/15/03/20/369150320.db2.gz JFEMCXQHGFPPDW-KRWDZBQOSA-N 1 0 296.414 3.001 50 0 CGAARO CCCCn1c(C)c(C)nc1SCC[NH2+]C(C)C ZINC000225553167 189757357 /nfs/dbraw/zinc/75/73/57/189757357.db2.gz AYJATKUMPYLBPY-UHFFFAOYSA-N 1 0 269.458 3.390 50 0 CGAARO CC1(C)C=C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000225633770 189760394 /nfs/dbraw/zinc/76/03/94/189760394.db2.gz PEOVOXZFHXVBHQ-HZPDHXFCSA-N 1 0 259.393 3.445 50 0 CGAARO FC(F)(F)c1ccc(OCC[C@H]2CCCC[NH2+]2)nc1 ZINC000042774212 369232412 /nfs/dbraw/zinc/23/24/12/369232412.db2.gz MRIDUPACKNTXRV-LLVKDONJSA-N 1 0 274.286 3.011 50 0 CGAARO Cc1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770850 369230466 /nfs/dbraw/zinc/23/04/66/369230466.db2.gz VTKYGTRDMZEPFQ-UHFFFAOYSA-N 1 0 253.773 3.417 50 0 CGAARO FC(F)(F)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773128 369231365 /nfs/dbraw/zinc/23/13/65/369231365.db2.gz QVUBWGPXUFTIGN-LLVKDONJSA-N 1 0 273.298 3.474 50 0 CGAARO C[N@@H+](Cc1ccccc1Cl)C[C@H]1CCCCO1 ZINC000042977851 369239837 /nfs/dbraw/zinc/23/98/37/369239837.db2.gz IADIMGRZJRUMKN-CYBMUJFWSA-N 1 0 253.773 3.341 50 0 CGAARO CCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000048309940 369340194 /nfs/dbraw/zinc/34/01/94/369340194.db2.gz ADTRPSARGPGSDS-UHFFFAOYSA-N 1 0 269.392 3.494 50 0 CGAARO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057350660 369535058 /nfs/dbraw/zinc/53/50/58/369535058.db2.gz BYAQQUZMBMUYPE-AWEZNQCLSA-N 1 0 268.360 3.284 50 0 CGAARO CC1=C(C)[C@@H]([NH2+]CCC(C)C)N(Cc2ccccc2)C1=O ZINC000057049719 369530991 /nfs/dbraw/zinc/53/09/91/369530991.db2.gz UIGRAISZOHKREJ-KRWDZBQOSA-N 1 0 286.419 3.327 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)c1cccs1)c1ccco1 ZINC000058290780 369561351 /nfs/dbraw/zinc/56/13/51/369561351.db2.gz YMJRRGMHJIALFS-GFCCVEGCSA-N 1 0 292.404 3.154 50 0 CGAARO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058299341 369562948 /nfs/dbraw/zinc/56/29/48/369562948.db2.gz WTVDRYUFLSNQMS-ZIAGYGMSSA-N 1 0 294.464 3.122 50 0 CGAARO CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000060366574 369586240 /nfs/dbraw/zinc/58/62/40/369586240.db2.gz MHPBNHQZSTZDFR-ZDUSSCGKSA-N 1 0 289.354 3.465 50 0 CGAARO C[C@@H]([NH2+]C1CCSCC1)c1ccccc1-n1cccn1 ZINC000065397554 369672350 /nfs/dbraw/zinc/67/23/50/369672350.db2.gz HLOIVHKXRAMFSC-CYBMUJFWSA-N 1 0 287.432 3.419 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nncn1C1CCCCC1 ZINC000065397822 369673125 /nfs/dbraw/zinc/67/31/25/369673125.db2.gz NSEGXJUFPQNEMD-CYBMUJFWSA-N 1 0 294.443 3.077 50 0 CGAARO COC[C@H](C)C1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000065504653 369681252 /nfs/dbraw/zinc/68/12/52/369681252.db2.gz SYENBQDHXKFSOZ-KQIUPUNMSA-N 1 0 263.381 3.287 50 0 CGAARO Cc1ccc2[nH]c(CCC[NH2+][C@@H]3CCSC3)nc2c1C ZINC000067691423 369725435 /nfs/dbraw/zinc/72/54/35/369725435.db2.gz ZVCOUSKGODAPDC-CYBMUJFWSA-N 1 0 289.448 3.207 50 0 CGAARO c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000069946918 369774632 /nfs/dbraw/zinc/77/46/32/369774632.db2.gz BXNVSZCYARKONE-AWEZNQCLSA-N 1 0 296.374 3.079 50 0 CGAARO CCC[C@@H]1SCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000078966313 369956618 /nfs/dbraw/zinc/95/66/18/369956618.db2.gz LEPYKXDJUBQSDL-HNNXBMFYSA-N 1 0 292.448 3.063 50 0 CGAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1cccs1 ZINC000075572971 369914084 /nfs/dbraw/zinc/91/40/84/369914084.db2.gz WLERMCPYJVORCQ-SNPRPXQTSA-N 1 0 293.432 3.097 50 0 CGAARO CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@@H]1C(C)(C)C ZINC000075567184 369914452 /nfs/dbraw/zinc/91/44/52/369914452.db2.gz MMRQJPPZSJKHDC-LBPRGKRZSA-N 1 0 267.461 3.207 50 0 CGAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1 ZINC000075675372 369915269 /nfs/dbraw/zinc/91/52/69/369915269.db2.gz JHACVAXQVDDOAV-HNNXBMFYSA-N 1 0 286.375 3.199 50 0 CGAARO Cc1cccc([C@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000075738319 369917893 /nfs/dbraw/zinc/91/78/93/369917893.db2.gz UAZITUQQRCDWGP-RDJZCZTQSA-N 1 0 286.419 3.143 50 0 CGAARO [NH3+][C@H]1CCCCN(Cc2cc(C3CCCCC3)no2)C1 ZINC000082098948 369999825 /nfs/dbraw/zinc/99/98/25/369999825.db2.gz WYBMXEIKIIXDCS-AWEZNQCLSA-N 1 0 277.412 3.036 50 0 CGAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCCCO)c1 ZINC000083925553 370010692 /nfs/dbraw/zinc/01/06/92/370010692.db2.gz RIBJKKJQUBDZQH-MRXNPFEDSA-N 1 0 293.407 3.003 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000084023584 370010962 /nfs/dbraw/zinc/01/09/62/370010962.db2.gz ZGWLBOSYTVDHBH-GFCCVEGCSA-N 1 0 296.374 3.328 50 0 CGAARO O=C(OC1CCCCC1)[C@H]1CCN1Cc1ccccc1 ZINC000089834914 370048153 /nfs/dbraw/zinc/04/81/53/370048153.db2.gz HEXMIXIYISXLMG-MRXNPFEDSA-N 1 0 273.376 3.137 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532262 370062143 /nfs/dbraw/zinc/06/21/43/370062143.db2.gz AEHDOJTUQAXDDM-ZYHUDNBSSA-N 1 0 261.369 3.155 50 0 CGAARO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000092708693 370099553 /nfs/dbraw/zinc/09/95/53/370099553.db2.gz GPSZXJLRENHGHT-HNNXBMFYSA-N 1 0 299.418 3.049 50 0 CGAARO CC[N@H+](Cc1ccoc1)Cc1cccc2c[nH]nc21 ZINC000092935847 370105516 /nfs/dbraw/zinc/10/55/16/370105516.db2.gz PDTISBNGMOXUKE-UHFFFAOYSA-N 1 0 255.321 3.178 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](CC)C1 ZINC000089948965 370051541 /nfs/dbraw/zinc/05/15/41/370051541.db2.gz GZWUECIEPHICFO-YPMHNXCESA-N 1 0 298.814 3.060 50 0 CGAARO C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCSC1 ZINC000089936147 370052395 /nfs/dbraw/zinc/05/23/95/370052395.db2.gz GYWUUCKFHATTOV-AWEZNQCLSA-N 1 0 258.390 3.172 50 0 CGAARO C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCSC1 ZINC000089936146 370052687 /nfs/dbraw/zinc/05/26/87/370052687.db2.gz GYWUUCKFHATTOV-CQSZACIVSA-N 1 0 258.390 3.172 50 0 CGAARO CCc1c(C)[nH+]c(N)nc1N[C@H](C)c1nc(C)sc1C ZINC000095380945 370180837 /nfs/dbraw/zinc/18/08/37/370180837.db2.gz NNFZZTZDDXDLAB-MRVPVSSYSA-N 1 0 291.424 3.176 50 0 CGAARO Cc1cnc([C@H]2CCCN(CC[NH+]3CCCCC3)C2)s1 ZINC000095399128 370182013 /nfs/dbraw/zinc/18/20/13/370182013.db2.gz VGALGFQUOBXTNV-HNNXBMFYSA-N 1 0 293.480 3.117 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000095401403 370182736 /nfs/dbraw/zinc/18/27/36/370182736.db2.gz RHACHVXXGISVPO-UHFFFAOYSA-N 1 0 278.440 3.086 50 0 CGAARO CCc1nc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000097374476 370239882 /nfs/dbraw/zinc/23/98/82/370239882.db2.gz DCWZHLXVIOKKQU-IINYFYTJSA-N 1 0 294.395 3.229 50 0 CGAARO COC[C@@H]1CCC[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000097660339 370249555 /nfs/dbraw/zinc/24/95/55/370249555.db2.gz IFIRYSVJQAOZQX-OAHLLOKOSA-N 1 0 291.439 3.001 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)s1 ZINC000097681670 370249855 /nfs/dbraw/zinc/24/98/55/370249855.db2.gz JIOTVRVDSRIGEX-UHFFFAOYSA-N 1 0 287.432 3.082 50 0 CGAARO C[C@H](Cc1ccsc1)[NH2+]CCc1cn2ccccc2n1 ZINC000095419945 370186898 /nfs/dbraw/zinc/18/68/98/370186898.db2.gz QPSKFCSMSJXUJW-CYBMUJFWSA-N 1 0 285.416 3.159 50 0 CGAARO CCn1nc(C)c(CNc2ccc3c(c2)[nH+]c(C)n3C)c1C ZINC000095429310 370191212 /nfs/dbraw/zinc/19/12/12/370191212.db2.gz LMUCHVRYXLGGGI-UHFFFAOYSA-N 1 0 297.406 3.327 50 0 CGAARO C[N@@H+](Cc1noc2c1CCCC2)C[C@@H]1CC=CCC1 ZINC000097744728 370251501 /nfs/dbraw/zinc/25/15/01/370251501.db2.gz IFMFKFQGTUMYGO-CYBMUJFWSA-N 1 0 260.381 3.342 50 0 CGAARO C[NH+](C)C[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000095446728 370195388 /nfs/dbraw/zinc/19/53/88/370195388.db2.gz GZOIRMDGMWECGY-GFCCVEGCSA-N 1 0 284.806 3.253 50 0 CGAARO [NH3+][C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000095835706 370201885 /nfs/dbraw/zinc/20/18/85/370201885.db2.gz PKUAXIJJZUGPIS-SNVBAGLBSA-N 1 0 268.154 3.154 50 0 CGAARO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095978010 370203170 /nfs/dbraw/zinc/20/31/70/370203170.db2.gz SARBOGBRIHFCJQ-SWLSCSKDSA-N 1 0 290.382 3.099 50 0 CGAARO C=Cc1ccc(NC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000096180919 370207547 /nfs/dbraw/zinc/20/75/47/370207547.db2.gz ZFKDOYBANWPGPY-UHFFFAOYSA-N 1 0 275.396 3.039 50 0 CGAARO CCNc1ccnc(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000097785643 370255071 /nfs/dbraw/zinc/25/50/71/370255071.db2.gz CSXWJNNISDJDKQ-LBPRGKRZSA-N 1 0 270.380 3.198 50 0 CGAARO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000103341810 370324238 /nfs/dbraw/zinc/32/42/38/370324238.db2.gz ZXMNJAJUOMJFSU-MNOVXSKESA-N 1 0 288.313 3.306 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793884 370451812 /nfs/dbraw/zinc/45/18/12/370451812.db2.gz CQXQAIDOZIYLOU-JQWIXIFHSA-N 1 0 271.307 3.118 50 0 CGAARO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCCC1 ZINC000016445224 541853266 /nfs/dbraw/zinc/85/32/66/541853266.db2.gz ZJRVQPIFMRMFDG-ZDUSSCGKSA-N 1 0 274.408 3.407 50 0 CGAARO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000134789082 371364832 /nfs/dbraw/zinc/36/48/32/371364832.db2.gz HICNCZLMQPSFKT-VIRABCJISA-N 1 0 261.365 3.196 50 0 CGAARO 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0 CGAARO C(=C/c1ccccc1)\CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020783611 171272626 /nfs/dbraw/zinc/27/26/26/171272626.db2.gz TWKKVTBGJYNBEX-OPUMOTSWSA-N 1 0 270.420 3.260 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000022752161 171397284 /nfs/dbraw/zinc/39/72/84/171397284.db2.gz FPUWCTVNLWJALX-OAHLLOKOSA-N 1 0 286.375 3.093 50 0 CGAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)on1 ZINC000035511265 172242466 /nfs/dbraw/zinc/24/24/66/172242466.db2.gz RCWZTLQXVBCRIG-HNNXBMFYSA-N 1 0 272.348 3.280 50 0 CGAARO CC[NH2+]Cc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000036281374 172572737 /nfs/dbraw/zinc/57/27/37/172572737.db2.gz LZXGNYLMRXNNKH-UHFFFAOYSA-N 1 0 277.755 3.030 50 0 CGAARO CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000039975625 174180465 /nfs/dbraw/zinc/18/04/65/174180465.db2.gz UYOCXFLNXXFTNX-IAGOWNOFSA-N 1 0 288.435 3.171 50 0 CGAARO c1cnn(-c2ccccc2C[NH2+]Cc2ccccc2)c1 ZINC000040495473 174294453 /nfs/dbraw/zinc/29/44/53/174294453.db2.gz NFXBKSLSWYIGAD-UHFFFAOYSA-N 1 0 263.344 3.162 50 0 CGAARO Cc1cccc(C)c1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040526386 174314010 /nfs/dbraw/zinc/31/40/10/174314010.db2.gz YSFVRUVZKUAMSI-UHFFFAOYSA-N 1 0 289.423 3.157 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1O ZINC000044729296 175239445 /nfs/dbraw/zinc/23/94/45/175239445.db2.gz CDWMGHGFESQFCP-LLVKDONJSA-N 1 0 275.348 3.461 50 0 CGAARO CN(C)[C@@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000062705772 175672010 /nfs/dbraw/zinc/67/20/10/175672010.db2.gz WIOYGSDXGBPAMP-ZDUSSCGKSA-N 1 0 298.308 3.089 50 0 CGAARO COc1ccccc1CCC[NH2+]C1CCSCC1 ZINC000065495903 175743714 /nfs/dbraw/zinc/74/37/14/175743714.db2.gz FGQZMSGPZUJKOZ-UHFFFAOYSA-N 1 0 265.422 3.113 50 0 CGAARO COc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)n1cc(C)cn1 ZINC000069616212 175842731 /nfs/dbraw/zinc/84/27/31/175842731.db2.gz POEPROUTEOXNGF-QWHCGFSZSA-N 1 0 291.370 3.079 50 0 CGAARO C[C@@H]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1C ZINC000071401377 176153532 /nfs/dbraw/zinc/15/35/32/176153532.db2.gz PAXPEQXTVOMQTL-YCPHGPKFSA-N 1 0 274.408 3.114 50 0 CGAARO CC(C)c1nccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000071639574 176238328 /nfs/dbraw/zinc/23/83/28/176238328.db2.gz DPTSDCLSHPGUBO-KZNFOHLHSA-N 1 0 285.435 3.468 50 0 CGAARO CCC[C@H]1c2[nH]cnc2CC[N@H+]1CCc1ccccc1 ZINC000071760237 176261325 /nfs/dbraw/zinc/26/13/25/176261325.db2.gz LCFKEAKMIMUGHO-INIZCTEOSA-N 1 0 269.392 3.352 50 0 CGAARO C[C@H](O)c1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000071825320 176271899 /nfs/dbraw/zinc/27/18/99/176271899.db2.gz LXKWXAPQVQWHFA-LBPRGKRZSA-N 1 0 287.407 3.050 50 0 CGAARO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000071852299 176277447 /nfs/dbraw/zinc/27/74/47/176277447.db2.gz LYXTWSAOPMYMMF-YJBOKZPZSA-N 1 0 296.418 3.422 50 0 CGAARO COc1ccc(-c2nc(CC[NH2+]C3CCCC3)co2)cc1 ZINC000071857543 176279099 /nfs/dbraw/zinc/27/90/99/176279099.db2.gz GBZQYFOMCCANSA-UHFFFAOYSA-N 1 0 286.375 3.425 50 0 CGAARO Cc1cnn(CC[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000071872080 176284430 /nfs/dbraw/zinc/28/44/30/176284430.db2.gz OOBGXEUJRJUJHP-UHFFFAOYSA-N 1 0 298.415 3.105 50 0 CGAARO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000071915667 176299061 /nfs/dbraw/zinc/29/90/61/176299061.db2.gz OSBJGWCSQFXKRI-JKSUJKDBSA-N 1 0 288.370 3.205 50 0 CGAARO Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072129223 176321224 /nfs/dbraw/zinc/32/12/24/176321224.db2.gz SOAYQLRGXFRBSZ-QGZVFWFLSA-N 1 0 284.407 3.204 50 0 CGAARO c1cc(C[N@H+]2CCC[C@@H](OCc3ccccn3)C2)cs1 ZINC000072150498 176326348 /nfs/dbraw/zinc/32/63/48/176326348.db2.gz WRLVAMLIZDWVPU-MRXNPFEDSA-N 1 0 288.416 3.324 50 0 CGAARO Cc1ccc(C[NH+]2CCC(OCc3cccnc3)CC2)o1 ZINC000072168919 176332106 /nfs/dbraw/zinc/33/21/06/176332106.db2.gz AISZXWMCHVMFSX-UHFFFAOYSA-N 1 0 286.375 3.164 50 0 CGAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000072292123 176362205 /nfs/dbraw/zinc/36/22/05/176362205.db2.gz MLNTUSIOOMBUTO-MRXNPFEDSA-N 1 0 290.451 3.461 50 0 CGAARO CSc1ccc(OCC[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000072304868 176365919 /nfs/dbraw/zinc/36/59/19/176365919.db2.gz CABGCSUTAYYNJM-OAHLLOKOSA-N 1 0 295.448 3.288 50 0 CGAARO CC(C)[NH+]1CCC(c2ccc(Br)cn2)CC1 ZINC000072343668 176372028 /nfs/dbraw/zinc/37/20/28/176372028.db2.gz OUQDUTRBWMNWON-UHFFFAOYSA-N 1 0 283.213 3.432 50 0 CGAARO Cc1csc(N2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000077341923 177254575 /nfs/dbraw/zinc/25/45/75/177254575.db2.gz VFKHEYRRTLONRB-CQSZACIVSA-N 1 0 279.453 3.154 50 0 CGAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000078553144 177353403 /nfs/dbraw/zinc/35/34/03/177353403.db2.gz CGGIHWNBIZSMDI-YKWSONSWSA-N 1 0 269.392 3.401 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(C)(C)C(F)F ZINC000657871078 419396456 /nfs/dbraw/zinc/39/64/56/419396456.db2.gz IQFJPXQRVJNOCP-NSHDSACASA-N 1 0 294.349 3.037 50 0 CGAARO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000021793107 260122225 /nfs/dbraw/zinc/12/22/25/260122225.db2.gz GLNSJWQWEQRMHR-QGZVFWFLSA-N 1 0 272.392 3.242 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000000174660 274252634 /nfs/dbraw/zinc/25/26/34/274252634.db2.gz YPPYOQYQJOKSGG-DYVFJYSZSA-N 1 0 269.344 3.005 50 0 CGAARO CC1(C)C[C@H]([C@@H](CC[NH3+])c2ccc(F)cc2)CCO1 ZINC000004825860 275870327 /nfs/dbraw/zinc/87/03/27/275870327.db2.gz FBSHSKALOHEBCG-HIFRSBDPSA-N 1 0 265.372 3.463 50 0 CGAARO CC1CCC([NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000004745577 275929449 /nfs/dbraw/zinc/92/94/49/275929449.db2.gz DIKZSWADIHRQBQ-YZUHTNEWSA-N 1 0 294.483 3.139 50 0 CGAARO CC1CCC([NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000004745574 275929557 /nfs/dbraw/zinc/92/95/57/275929557.db2.gz DIKZSWADIHRQBQ-JCCCHCCOSA-N 1 0 294.483 3.139 50 0 CGAARO CN(C)C(=O)CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123067807 276750152 /nfs/dbraw/zinc/75/01/52/276750152.db2.gz RKQYGKYJWPGABM-CVEARBPZSA-N 1 0 288.435 3.027 50 0 CGAARO C[N@@H+]1CCC[C@H](CO)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101418323 277074090 /nfs/dbraw/zinc/07/40/90/277074090.db2.gz XQZHTFMWFSPRFQ-DGCLKSJQSA-N 1 0 273.298 3.081 50 0 CGAARO CC(C)(C)SCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000242288021 277222770 /nfs/dbraw/zinc/22/27/70/277222770.db2.gz YKLDEPQEAQKERY-STQMWFEESA-N 1 0 257.443 3.019 50 0 CGAARO COC(C[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21)OC ZINC000000200156 277461333 /nfs/dbraw/zinc/46/13/33/277461333.db2.gz GSXRCCZMEJMMRI-HNNXBMFYSA-N 1 0 288.391 3.062 50 0 biogenic CGAARO COc1ccc2[nH+]c(C)cc(N3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000006823822 278002312 /nfs/dbraw/zinc/00/23/12/278002312.db2.gz LMJXRJNCKLMDRB-CHWSQXEVSA-N 1 0 286.375 3.165 50 0 CGAARO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CCSc2ccccc21 ZINC000095968109 278555523 /nfs/dbraw/zinc/55/55/23/278555523.db2.gz OFORJAQZVLJMQJ-ORAYPTAESA-N 1 0 297.489 3.360 50 0 CGAARO COc1ccccc1[C@@H](CC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC000000206865 295382414 /nfs/dbraw/zinc/38/24/14/295382414.db2.gz YSDNSMKWEDSRLY-KBPBESRZSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO CCc1nccn1CC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000252510270 328105988 /nfs/dbraw/zinc/10/59/88/328105988.db2.gz ZFWAUHYETWVQGK-INIZCTEOSA-N 1 0 299.418 3.291 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C(C)C)on1 ZINC000534578890 328311087 /nfs/dbraw/zinc/31/10/87/328311087.db2.gz LFCZECJFDURGES-LLVKDONJSA-N 1 0 254.374 3.091 50 0 CGAARO Cc1nc(N2CCCC3(CC[NH2+]CC3)CC2)sc1C ZINC000534664807 328344812 /nfs/dbraw/zinc/34/48/12/328344812.db2.gz RUDJMMIBPUZKBH-UHFFFAOYSA-N 1 0 279.453 3.120 50 0 CGAARO C[C@H](c1ccc(-c2ccncc2F)cc1)[NH+]1CCOCC1 ZINC000534666997 328345648 /nfs/dbraw/zinc/34/56/48/328345648.db2.gz HTXJHOGHMWOIIK-CYBMUJFWSA-N 1 0 286.350 3.281 50 0 CGAARO Fc1ccc(-c2cc(C[NH2+][C@H]3CCCSC3)on2)cc1 ZINC000534661401 328349529 /nfs/dbraw/zinc/34/95/29/328349529.db2.gz KSLUUMNBJTVTQA-ZDUSSCGKSA-N 1 0 292.379 3.466 50 0 CGAARO C[NH+]1CCC(CNC(=O)Nc2cccc3ccccc32)CC1 ZINC000058203392 327010384 /nfs/dbraw/zinc/01/03/84/327010384.db2.gz JASBKRXXWYCCLG-UHFFFAOYSA-N 1 0 297.402 3.303 50 0 CGAARO CSCCC[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000072439836 327110878 /nfs/dbraw/zinc/11/08/78/327110878.db2.gz YSWDENZIUDWVLO-QGZVFWFLSA-N 1 0 293.476 3.055 50 0 CGAARO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)nc2)c1 ZINC000184333168 335923487 /nfs/dbraw/zinc/92/34/87/335923487.db2.gz XLNMQMDIDKJEAT-CQSZACIVSA-N 1 0 297.402 3.425 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055029593 518759827 /nfs/dbraw/zinc/75/98/27/518759827.db2.gz JHUSMJHDLXXVJT-LLVKDONJSA-N 1 0 262.180 3.415 50 0 CGAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1cccc2ccccc21 ZINC000012244773 519928446 /nfs/dbraw/zinc/92/84/46/519928446.db2.gz BQUPLTFDFJABDV-QGZVFWFLSA-N 1 0 296.414 3.330 50 0 CGAARO CCCOc1ccc([C@H](C)[NH3+])cc1Br ZINC000061699386 520424994 /nfs/dbraw/zinc/42/49/94/520424994.db2.gz QYVYWZFFGHTYGW-QMMMGPOBSA-N 1 0 258.159 3.258 50 0 CGAARO CCC[C@H]1CN(Cc2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000068700627 521220629 /nfs/dbraw/zinc/22/06/29/521220629.db2.gz KXCTZCCROVMVMI-IRXDYDNUSA-N 1 0 278.415 3.424 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCCCC1 ZINC000207246387 567859944 /nfs/dbraw/zinc/85/99/44/567859944.db2.gz UGFKGDCZWPHAQX-TVFCKZIOSA-N 1 0 297.483 3.311 50 0 biogenic CGAARO c1cncc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000022078109 617925625 /nfs/dbraw/zinc/92/56/25/617925625.db2.gz ZBZHFLPQKHVHAB-MOPGFXCFSA-N 1 0 299.462 3.311 50 0 CGAARO COCCCC1(C[N@H+](C)Cc2cc(C)on2)CCC1 ZINC000864088439 620363825 /nfs/dbraw/zinc/36/38/25/620363825.db2.gz CBICDJXJDUYZQD-UHFFFAOYSA-N 1 0 266.385 3.012 50 0 CGAARO CCC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)[C@H](O)c1ccccc1 ZINC000850467577 624202976 /nfs/dbraw/zinc/20/29/76/624202976.db2.gz XFFUZRILMOBDEI-YESZJQIVSA-N 1 0 289.419 3.190 50 0 CGAARO c1cncc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCCC2)c1 ZINC000011761791 625944117 /nfs/dbraw/zinc/94/41/17/625944117.db2.gz RJZKPRHJDVSHNF-INIZCTEOSA-N 1 0 294.402 3.448 50 0 CGAARO CCN(CC)c1ncccc1C[NH2+]CC1CCCC1 ZINC000011872979 625969776 /nfs/dbraw/zinc/96/97/76/625969776.db2.gz AGRVYCMTURKTAO-UHFFFAOYSA-N 1 0 261.413 3.208 50 0 CGAARO c1nc2ccccc2n1-c1ncccc1C[NH2+]C1CCCC1 ZINC000012445940 626082693 /nfs/dbraw/zinc/08/26/93/626082693.db2.gz LXESGCTVKRNTNJ-UHFFFAOYSA-N 1 0 292.386 3.453 50 0 CGAARO Cc1cc2ncc3c(n2[o+]1)C(=Cc1ccccc1)CC3 ZINC000005258318 637803877 /nfs/dbraw/zinc/80/38/77/637803877.db2.gz NVPDUOZQDDUHDX-GXDHUFHOSA-N 1 0 263.320 3.209 50 0 CGAARO O=C(CSC1=[NH+]CCN1)C12CC3CC(CC(C3)C1)C2 ZINC000106412267 638209530 /nfs/dbraw/zinc/20/95/30/638209530.db2.gz DBFPTGBWDUXKDQ-UKTHLTGXSA-N 1 0 278.421 3.295 50 0 CGAARO CC[NH+]1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 ZINC000000758865 640927729 /nfs/dbraw/zinc/92/77/29/640927729.db2.gz YYTFSMALZGPNFP-UHFFFAOYSA-N 1 0 289.810 3.339 50 0 CGAARO O=C(CC1CCCCC1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000023506231 798838926 /nfs/dbraw/zinc/83/89/26/798838926.db2.gz UAYDNPVJXNCKOO-KRWDZBQOSA-N 1 0 292.467 3.291 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC[C@H]1CC1(Cl)Cl ZINC000585090048 799676656 /nfs/dbraw/zinc/67/66/56/799676656.db2.gz MRIOHRMUOUGIAD-QWRGUYRKSA-N 1 0 296.238 3.125 50 0 CGAARO Cc1nc(CCC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000675019957 799730874 /nfs/dbraw/zinc/73/08/74/799730874.db2.gz SUHCQGKZBIXNND-UHFFFAOYSA-N 1 0 291.420 3.284 50 0 CGAARO CC[C@@H](Cc1ccco1)[NH2+]Cc1cncn1CC(C)C ZINC000822620686 800462187 /nfs/dbraw/zinc/46/21/87/800462187.db2.gz YCWWIYMIXQBJHR-AWEZNQCLSA-N 1 0 275.396 3.243 50 0 CGAARO CCCOc1c(Cl)cccc1NC(=O)C1([NH3+])CCCC1 ZINC000952872171 800686134 /nfs/dbraw/zinc/68/61/34/800686134.db2.gz INQPBWPZONCAHP-UHFFFAOYSA-N 1 0 296.798 3.339 50 0 CGAARO COc1ccc(C[NH+]2CCC(C)CC2)c(OC)c1C ZINC000023281769 926834570 /nfs/dbraw/zinc/83/45/70/926834570.db2.gz ULCGHXPJZVBVDJ-UHFFFAOYSA-N 1 0 263.381 3.244 50 0 CGAARO c1ccc(COCC[NH2+][C@@H]2CCN(c3ccccc3)C2)cc1 ZINC001506397207 937989714 /nfs/dbraw/zinc/98/97/14/937989714.db2.gz RLSSFEIQXZWILA-GOSISDBHSA-N 1 0 296.414 3.072 50 0 CGAARO C[C@@H](CN1CCCCCC1)[NH2+]CCCc1ccccc1 ZINC001506420161 937990068 /nfs/dbraw/zinc/99/00/68/937990068.db2.gz WNPOZNRNQJTDAX-KRWDZBQOSA-N 1 0 274.452 3.473 50 0 CGAARO COCCC[N@@H+]1CC[C@H](CNc2ccc3ccccc3n2)C1 ZINC001529168628 938071317 /nfs/dbraw/zinc/07/13/17/938071317.db2.gz IQHQVQJTUGDVIU-OAHLLOKOSA-N 1 0 299.418 3.005 50 0 CGAARO Cc1ccc(NCc2nc(C)ccc2O)c(C[NH+](C)C)c1 ZINC000096482886 230380602 /nfs/dbraw/zinc/38/06/02/230380602.db2.gz ZIYORCWQMPVNAO-UHFFFAOYSA-N 1 0 285.391 3.078 50 0 CGAARO c1c2ccccc2oc1[C@@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000097016918 230386385 /nfs/dbraw/zinc/38/63/85/230386385.db2.gz DGGZQAJMRKZKSN-CJNGLKHVSA-N 1 0 257.333 3.262 50 0 CGAARO Cc1csc(-c2cc[n+](Cc3ccccc3)cc2)n1 ZINC000095918140 185030722 /nfs/dbraw/zinc/03/07/22/185030722.db2.gz LPTYKPAGMKDDNZ-UHFFFAOYSA-N 1 0 267.377 3.454 50 0 CGAARO CC[NH2+]CC1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000095965542 185045577 /nfs/dbraw/zinc/04/55/77/185045577.db2.gz HITZQLBFNCROPU-UHFFFAOYSA-N 1 0 294.826 3.110 50 0 CGAARO Cc1cccc(C[N@H+](Cc2ccc(CO)o2)C2CC2)c1 ZINC000095982488 185053709 /nfs/dbraw/zinc/05/37/09/185053709.db2.gz SRILXVMADFEWSR-UHFFFAOYSA-N 1 0 271.360 3.245 50 0 CGAARO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(CO)o1 ZINC000097032737 185156260 /nfs/dbraw/zinc/15/62/60/185156260.db2.gz WBVIIYNBCNIQKG-ZFWWWQNUSA-N 1 0 271.360 3.150 50 0 CGAARO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C(C)C)no2)C12CCC2 ZINC000097034536 185157313 /nfs/dbraw/zinc/15/73/13/185157313.db2.gz AXZNDTKVELPFDY-GJZGRUSLSA-N 1 0 278.396 3.235 50 0 CGAARO C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCCCO1 ZINC000126053139 187213807 /nfs/dbraw/zinc/21/38/07/187213807.db2.gz IMOAVUBNYQLUCA-OAHLLOKOSA-N 1 0 286.375 3.343 50 0 CGAARO O[C@H](C[NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000002616015 169815785 /nfs/dbraw/zinc/81/57/85/169815785.db2.gz SRBPNJWNLGDQQE-MRXNPFEDSA-N 1 0 275.779 3.206 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)CSc1cccc2ccccc21 ZINC000003622252 344858959 /nfs/dbraw/zinc/85/89/59/344858959.db2.gz CMCCJYGFNHQHCP-CQSZACIVSA-N 1 0 275.417 3.291 50 0 CGAARO C[NH+](C)C[C@H](Cc1ccccc1)Oc1ccccc1 ZINC000059709901 345208137 /nfs/dbraw/zinc/20/81/37/345208137.db2.gz ILOQQMVMRLDBNX-KRWDZBQOSA-N 1 0 255.361 3.238 50 0 CGAARO c1ccc(C[N@H+]2C[C@H]3c4ccccc4NC[C@H]3C2)cc1 ZINC000066354611 345290455 /nfs/dbraw/zinc/29/04/55/345290455.db2.gz APSFVWLHYYFSDW-DOTOQJQBSA-N 1 0 264.372 3.328 50 0 CGAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCc1ccccc1 ZINC000084636845 178907401 /nfs/dbraw/zinc/90/74/01/178907401.db2.gz YANMWHXVKWKGTR-OAHLLOKOSA-N 1 0 282.387 3.236 50 0 CGAARO CCCCC[N@H+](C)CCOc1ccccc1OC ZINC000096026613 345901676 /nfs/dbraw/zinc/90/16/76/345901676.db2.gz LVEYOYCLYIVLBI-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO C[NH+](C)C[C@@]1(C)Cc2ccccc2[C@@]1(O)Cc1ccccc1 ZINC000096027200 345901683 /nfs/dbraw/zinc/90/16/83/345901683.db2.gz TVMJKCNCLGEZRI-UXHICEINSA-N 1 0 295.426 3.241 50 0 CGAARO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000106217013 345929770 /nfs/dbraw/zinc/92/97/70/345929770.db2.gz CQSHWPHPSTVAFI-MRXNPFEDSA-N 1 0 299.418 3.161 50 0 CGAARO COC[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000110707447 345946198 /nfs/dbraw/zinc/94/61/98/345946198.db2.gz LBCXRFPVYRYXTN-LSDHHAIUSA-N 1 0 277.408 3.157 50 0 CGAARO C[C@]1(CO)CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000170088996 346193700 /nfs/dbraw/zinc/19/37/00/346193700.db2.gz RUVHGKCFPYNAQS-GOSISDBHSA-N 1 0 289.419 3.355 50 0 CGAARO CCC[NH+](CCC)CCCOC(=O)C1=CCCC1 ZINC000170617253 346195491 /nfs/dbraw/zinc/19/54/91/346195491.db2.gz HLBBRHXNLNUNAJ-UHFFFAOYSA-N 1 0 253.386 3.152 50 0 CGAARO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(N)n1 ZINC000170616824 346195690 /nfs/dbraw/zinc/19/56/90/346195690.db2.gz ZAVDLVJMMQUMEG-AWEZNQCLSA-N 1 0 281.403 3.465 50 0 CGAARO CC[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1F ZINC000195553455 346272734 /nfs/dbraw/zinc/27/27/34/346272734.db2.gz YMMQFQIATFFQTR-ZIAGYGMSSA-N 1 0 263.312 3.193 50 0 CGAARO CCc1nnc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)s1 ZINC000253370278 346394381 /nfs/dbraw/zinc/39/43/81/346394381.db2.gz OPJXESHWJGVLPU-GHMZBOCLSA-N 1 0 253.415 3.111 50 0 CGAARO Cc1nccn1CC[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000584896189 346723049 /nfs/dbraw/zinc/72/30/49/346723049.db2.gz IPYQAFXIKRYTGZ-SFHVURJKSA-N 1 0 299.418 3.092 50 0 CGAARO CC[NH+](CC)Cc1cc(F)cc(Br)c1 ZINC000086657821 179316389 /nfs/dbraw/zinc/31/63/89/179316389.db2.gz YORLJVGPJYCIPS-UHFFFAOYSA-N 1 0 260.150 3.430 50 0 CGAARO CC[C@@]1(CO)CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000091586203 180199693 /nfs/dbraw/zinc/19/96/93/180199693.db2.gz QTCVEPRNLKEOJF-GOSISDBHSA-N 1 0 286.419 3.163 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)nc1 ZINC000091707922 180230860 /nfs/dbraw/zinc/23/08/60/180230860.db2.gz SGTKQPTXLJNCPC-SFHVURJKSA-N 1 0 288.435 3.019 50 0 CGAARO CC[N@H+](Cc1cnc2cnccn12)[C@H](C)c1ccc(F)cc1 ZINC000092123463 180328980 /nfs/dbraw/zinc/32/89/80/180328980.db2.gz WNYLUMKSJNPLGX-CYBMUJFWSA-N 1 0 298.365 3.452 50 0 CGAARO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000636440461 351761945 /nfs/dbraw/zinc/76/19/45/351761945.db2.gz FQRWPENVTWUZJJ-CVEARBPZSA-N 1 0 273.401 3.446 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)C1CCCCC1 ZINC000168140192 188646918 /nfs/dbraw/zinc/64/69/18/188646918.db2.gz CVGHJFOVFWSTAB-HIFRSBDPSA-N 1 0 291.414 3.358 50 0 CGAARO [NH3+]C[C@H]1Cc2cccc(-c3cncc4ccccc43)c2O1 ZINC000067948100 283524736 /nfs/dbraw/zinc/52/47/36/283524736.db2.gz HWZJSSNYKGBZAZ-CQSZACIVSA-N 1 0 276.339 3.164 50 0 CGAARO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCCF)C3)nc2c1 ZINC000181159359 189289591 /nfs/dbraw/zinc/28/95/91/189289591.db2.gz GNFDHGMERIGBJL-ZDUSSCGKSA-N 1 0 275.371 3.410 50 0 CGAARO C[C@H](C[N@H+](C)CCc1ccccc1)c1nccs1 ZINC000183929751 189371715 /nfs/dbraw/zinc/37/17/15/189371715.db2.gz HXBVZNIIMLVTCN-CYBMUJFWSA-N 1 0 260.406 3.421 50 0 CGAARO CCC[C@H](C)C[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000242302420 283811743 /nfs/dbraw/zinc/81/17/43/283811743.db2.gz YSLHUAYHDOFJAK-KCQAQPDRSA-N 1 0 255.402 3.134 50 0 CGAARO CC1(C)C[C@@](CC[NH3+])(c2ccc(F)cc2)CCO1 ZINC000000206875 368315890 /nfs/dbraw/zinc/31/58/90/368315890.db2.gz LHTXAUZHTWDXMN-HNNXBMFYSA-N 1 0 251.345 3.001 50 0 CGAARO C[NH+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 368270988 /nfs/dbraw/zinc/27/09/88/368270988.db2.gz ZZVUWRFHKOJYTH-UHFFFAOYSA-N 1 0 255.361 3.354 50 0 fda CGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12 ZINC000000086827 368285198 /nfs/dbraw/zinc/28/51/98/368285198.db2.gz ATYFJNBTKOAQSM-HNNXBMFYSA-N 1 0 298.386 3.002 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc1C(C)C ZINC000000246935 368323937 /nfs/dbraw/zinc/32/39/37/368323937.db2.gz RGNKIBMPHPXRRE-AWEZNQCLSA-N 1 0 279.424 3.246 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(C)cc2)c(OC)c1 ZINC000000172229 368308653 /nfs/dbraw/zinc/30/86/53/368308653.db2.gz XSJNEMYNZTWHFE-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 biogenic CGAARO C[N@H+]1CC=C(CNc2cccc3c2CCCC3)CC1 ZINC000000287875 368332970 /nfs/dbraw/zinc/33/29/70/368332970.db2.gz FECKTPOVZVMFFA-UHFFFAOYSA-N 1 0 256.393 3.239 50 0 CGAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2cccnc2)CC1 ZINC000000317333 368340745 /nfs/dbraw/zinc/34/07/45/368340745.db2.gz JAFGXYZWVXABRL-UHFFFAOYSA-N 1 0 295.430 3.178 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)c(OC)c1C ZINC000000757374 368393516 /nfs/dbraw/zinc/39/35/16/368393516.db2.gz CPZRJBXSFFVIST-LBPRGKRZSA-N 1 0 263.381 3.244 50 0 CGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000000783101 368395328 /nfs/dbraw/zinc/39/53/28/368395328.db2.gz PPTLXQUWPZTBSO-KGLIPLIRSA-N 1 0 292.448 3.085 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2C)cc1 ZINC000002059326 368446033 /nfs/dbraw/zinc/44/60/33/368446033.db2.gz DHAYZPOLWOBTSV-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO COc1ccc2c(C[NH+]3CCCCCC3)cc(=O)oc2c1 ZINC000002120887 368447220 /nfs/dbraw/zinc/44/72/20/368447220.db2.gz IQDBRQIFFRQXAN-UHFFFAOYSA-N 1 0 287.359 3.178 50 0 biogenic CGAARO CCC[N@H+](CCC(=O)Nc1ccccc1F)CC1CC1 ZINC000002765083 368476637 /nfs/dbraw/zinc/47/66/37/368476637.db2.gz OZUADSACRFGDNM-UHFFFAOYSA-N 1 0 278.371 3.276 50 0 CGAARO O=C(c1ccccc1)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514878 368459093 /nfs/dbraw/zinc/45/90/93/368459093.db2.gz CDAAMXSOYPAMJM-UHFFFAOYSA-N 1 0 263.340 3.289 50 0 CGAARO COCCC[NH2+]CCCCOc1ccc(Cl)cc1C ZINC000002933327 368485993 /nfs/dbraw/zinc/48/59/93/368485993.db2.gz UZENWSASHDWDQA-UHFFFAOYSA-N 1 0 285.815 3.434 50 0 CGAARO CCCC[NH2+]CCCCOc1ccc(OC)cc1 ZINC000002899320 368486042 /nfs/dbraw/zinc/48/60/42/368486042.db2.gz LBJCRTLAIUTDFW-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO CCOc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000003002217 368488070 /nfs/dbraw/zinc/48/80/70/368488070.db2.gz AESWTXXOMIRZAX-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO CC(=O)Nc1sc2c(c1C[NH+]1CCCC1)CCCC2 ZINC000003181850 368495243 /nfs/dbraw/zinc/49/52/43/368495243.db2.gz DJMPDRJQNKEUOU-UHFFFAOYSA-N 1 0 278.421 3.181 50 0 CGAARO CCOC(=O)C[C@H]([NH3+])c1cccc(OCc2ccccc2)c1 ZINC000003678292 368517776 /nfs/dbraw/zinc/51/77/76/368517776.db2.gz TVWKLNXMDCBTOL-KRWDZBQOSA-N 1 0 299.370 3.219 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H](O)c1ccc(O)cc1 ZINC000003831236 368519155 /nfs/dbraw/zinc/51/91/55/368519155.db2.gz PTGXAUBQBSGPKF-VCBZYWHSSA-N 1 0 299.414 3.425 50 0 world CGAARO Clc1cccc(Cl)c1C[NH2+]C[C@H]1CCCO1 ZINC000004657483 368554155 /nfs/dbraw/zinc/55/41/55/368554155.db2.gz IMGUKPKPMOGTLQ-SECBINFHSA-N 1 0 260.164 3.262 50 0 CGAARO CCCSc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000004676978 368556073 /nfs/dbraw/zinc/55/60/73/368556073.db2.gz DSRBJHWGYDOQGS-UHFFFAOYSA-N 1 0 251.395 3.323 50 0 CGAARO C[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(Cl)cc1 ZINC000004845375 368558920 /nfs/dbraw/zinc/55/89/20/368558920.db2.gz RVHYXQDPSBHFRM-IUODEOHRSA-N 1 0 283.799 3.124 50 0 CGAARO CC1(C)CC(NC(=O)CCC2CCCC2)CC(C)(C)[NH2+]1 ZINC000004272392 368540063 /nfs/dbraw/zinc/54/00/63/368540063.db2.gz BAOBGGZLJZFRLO-UHFFFAOYSA-N 1 0 280.456 3.382 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCO1 ZINC000004488533 368547371 /nfs/dbraw/zinc/54/73/71/368547371.db2.gz OASAONSBMYZACM-AWEZNQCLSA-N 1 0 271.360 3.117 50 0 CGAARO CCOc1ccc(C[NH2+]C2CC2)cc1Br ZINC000010475291 368583955 /nfs/dbraw/zinc/58/39/55/368583955.db2.gz LKARQRCDXJIPCH-UHFFFAOYSA-N 1 0 270.170 3.100 50 0 CGAARO c1ccc(N[C@@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000011937804 368600983 /nfs/dbraw/zinc/60/09/83/368600983.db2.gz JHEKEGNHETZHKK-OAHLLOKOSA-N 1 0 276.449 3.459 50 0 CGAARO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012629714 368623112 /nfs/dbraw/zinc/62/31/12/368623112.db2.gz BPNDZLBYRMRLEF-UHFFFAOYSA-N 1 0 282.387 3.017 50 0 CGAARO CCCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012712939 368624006 /nfs/dbraw/zinc/62/40/06/368624006.db2.gz HEFHRXDVSPGTJC-CQSZACIVSA-N 1 0 266.429 3.090 50 0 CGAARO O=C(Nc1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000013118649 368644183 /nfs/dbraw/zinc/64/41/83/368644183.db2.gz OVSLXLJKOJXULE-HOCLYGCPSA-N 1 0 288.391 3.500 50 0 CGAARO CC1CC[NH+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000013154173 368645242 /nfs/dbraw/zinc/64/52/42/368645242.db2.gz FJHWBIQXBLWHIE-IKGGRYGDSA-N 1 0 297.483 3.311 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000016604083 368717028 /nfs/dbraw/zinc/71/70/28/368717028.db2.gz ZNLBWORIRJRVLU-UHFFFAOYSA-N 1 0 282.387 3.056 50 0 CGAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606467 368717093 /nfs/dbraw/zinc/71/70/93/368717093.db2.gz IEABTCNVQWOLJQ-OAHLLOKOSA-N 1 0 288.435 3.122 50 0 CGAARO CC(C)c1cc(C(=O)NCC[NH+]2CCCCC2)cs1 ZINC000016605341 368717645 /nfs/dbraw/zinc/71/76/45/368717645.db2.gz DWYBWIJGKKMYOK-UHFFFAOYSA-N 1 0 280.437 3.087 50 0 CGAARO C[NH+](C)[C@@H](CNc1ncnc2ccccc21)c1cccs1 ZINC000014166579 368675027 /nfs/dbraw/zinc/67/50/27/368675027.db2.gz DBMNIBSWJSQCIZ-AWEZNQCLSA-N 1 0 298.415 3.406 50 0 CGAARO COc1cccc(NC(=O)[C@@H](C)[NH2+]C2CCCCCC2)c1 ZINC000014196750 368678124 /nfs/dbraw/zinc/67/81/24/368678124.db2.gz MFGUQLOGXFDTEN-CYBMUJFWSA-N 1 0 290.407 3.335 50 0 CGAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000017245392 368730030 /nfs/dbraw/zinc/73/00/30/368730030.db2.gz GVEMSOPLYLTIQY-DOTOQJQBSA-N 1 0 299.414 3.311 50 0 CGAARO CCN(CC)CC[N@H+](C)C1C2CC3CC(C2)CC1C3 ZINC000019636422 368760636 /nfs/dbraw/zinc/76/06/36/368760636.db2.gz JYZPLVPQGJUSAD-UHFFFAOYSA-N 1 0 264.457 3.085 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000125873511 370941844 /nfs/dbraw/zinc/94/18/44/370941844.db2.gz YSEJYDXQPIVVOE-NEPJUHHUSA-N 1 0 280.799 3.002 50 0 CGAARO CC(C)[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019789522 368767688 /nfs/dbraw/zinc/76/76/88/368767688.db2.gz FGIMVCSDZNLZNX-UHFFFAOYSA-N 1 0 268.404 3.366 50 0 CGAARO OC1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019918473 368785339 /nfs/dbraw/zinc/78/53/39/368785339.db2.gz FMUSFDPQSMQUAW-UHFFFAOYSA-N 1 0 273.298 3.099 50 0 CGAARO COc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000033646609 368968284 /nfs/dbraw/zinc/96/82/84/368968284.db2.gz SKNKDSZKBFMMPB-STQMWFEESA-N 1 0 263.381 3.467 50 0 CGAARO Cc1ccc(F)c(NC(=O)[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000032915755 368952737 /nfs/dbraw/zinc/95/27/37/368952737.db2.gz LPHDKPXPDDMFOT-CQSZACIVSA-N 1 0 292.398 3.441 50 0 CGAARO c1ccc(COc2ccc3c(c2)CC[C@]2(CC[NH2+]C2)O3)cc1 ZINC000036142057 369011967 /nfs/dbraw/zinc/01/19/67/369011967.db2.gz NZYDFBCOVCECBH-LJQANCHMSA-N 1 0 295.382 3.323 50 0 CGAARO NC(=O)c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000036393282 369020013 /nfs/dbraw/zinc/02/00/13/369020013.db2.gz NJIXMCHHJITGHJ-UHFFFAOYSA-N 1 0 298.361 3.089 50 0 CGAARO Cc1cc(Cl)cc2sc(NCC[NH+](C)C)nc21 ZINC000036657610 369024668 /nfs/dbraw/zinc/02/46/68/369024668.db2.gz ICZFEYBZGYCXSE-UHFFFAOYSA-N 1 0 269.801 3.232 50 0 CGAARO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000037764946 369106656 /nfs/dbraw/zinc/10/66/56/369106656.db2.gz VBLJUSMRKMLGQS-WMLDXEAASA-N 1 0 282.387 3.262 50 0 CGAARO Cc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000040017925 369151853 /nfs/dbraw/zinc/15/18/53/369151853.db2.gz RDMIQVOXAAVMCP-UHFFFAOYSA-N 1 0 280.415 3.360 50 0 CGAARO CCc1nc(C[N@H+]([C@H](C)C2CC2)C2CC2)cs1 ZINC000042123783 369201362 /nfs/dbraw/zinc/20/13/62/369201362.db2.gz AKEKLSUCDDYDGM-SNVBAGLBSA-N 1 0 250.411 3.468 50 0 CGAARO Fc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042772275 369230938 /nfs/dbraw/zinc/23/09/38/369230938.db2.gz UEDMRAHJNPIGDZ-SNVBAGLBSA-N 1 0 257.736 3.248 50 0 CGAARO CC[NH+](CC)CCN(CC(C)C)C(=O)CCc1ccco1 ZINC000048964577 369377968 /nfs/dbraw/zinc/37/79/68/369377968.db2.gz MZDOOGRRQGWBKM-UHFFFAOYSA-N 1 0 294.439 3.039 50 0 CGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049590124 369411362 /nfs/dbraw/zinc/41/13/62/369411362.db2.gz ZSIJQKNFGDQLHE-KRWDZBQOSA-N 1 0 282.387 3.054 50 0 CGAARO Cc1noc(C)c1C[N@H+](C)CCc1ccc(F)cc1 ZINC000055022916 369509414 /nfs/dbraw/zinc/50/94/14/369509414.db2.gz XVAYAIVKRZCTBK-UHFFFAOYSA-N 1 0 262.328 3.105 50 0 CGAARO COc1c(C[NH2+][C@H]2CCc3ccccc32)c(C(C)C)nn1C ZINC000058392203 369566800 /nfs/dbraw/zinc/56/68/00/369566800.db2.gz KDNKPCHTSVHUJQ-INIZCTEOSA-N 1 0 299.418 3.329 50 0 CGAARO C[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000062186123 369621617 /nfs/dbraw/zinc/62/16/17/369621617.db2.gz GAINZRFXVQNBJZ-YJBOKZPZSA-N 1 0 269.388 3.115 50 0 CGAARO CC(C)N(Cc1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000063846514 369649184 /nfs/dbraw/zinc/64/91/84/369649184.db2.gz NLDPAKFLWMVKTB-AWEZNQCLSA-N 1 0 294.826 3.029 50 0 CGAARO FC(F)(F)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000065337411 369668145 /nfs/dbraw/zinc/66/81/45/369668145.db2.gz SIMUFYNZEAJCIK-UHFFFAOYSA-N 1 0 259.271 3.180 50 0 CGAARO Cc1ncc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000065403400 369673646 /nfs/dbraw/zinc/67/36/46/369673646.db2.gz ILTOYAJFPAXHEE-UHFFFAOYSA-N 1 0 273.424 3.366 50 0 CGAARO Cc1ccc2cccc(OCC[NH2+][C@@H]3CCSC3)c2n1 ZINC000065410236 369673785 /nfs/dbraw/zinc/67/37/85/369673785.db2.gz AVDMQQPREUOOJY-CQSZACIVSA-N 1 0 288.416 3.017 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000065409119 369674018 /nfs/dbraw/zinc/67/40/18/369674018.db2.gz AWYQLAPEAXGYHH-ZDUSSCGKSA-N 1 0 275.421 3.104 50 0 CGAARO C[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000065421570 369675353 /nfs/dbraw/zinc/67/53/53/369675353.db2.gz QLPFDPQDJQECNS-CQSZACIVSA-N 1 0 272.417 3.459 50 0 CGAARO CC[C@H]1CN(C/C(C)=C/c2ccco2)CC[N@@H+]1C(C)C ZINC000065467204 369677001 /nfs/dbraw/zinc/67/70/01/369677001.db2.gz CLDGWVZNMUUTOI-SFKKXYGYSA-N 1 0 276.424 3.488 50 0 CGAARO CC(C)OCC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000069451934 369760542 /nfs/dbraw/zinc/76/05/42/369760542.db2.gz KOUZXTXVVKAFAV-UHFFFAOYSA-N 1 0 277.408 3.093 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069624546 369766835 /nfs/dbraw/zinc/76/68/35/369766835.db2.gz RNBLFCHVTMMGDK-RYUDHWBXSA-N 1 0 296.798 3.022 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1C ZINC000069776695 369770706 /nfs/dbraw/zinc/77/07/06/369770706.db2.gz IOPGFDMOEJNSMP-KGLIPLIRSA-N 1 0 292.448 3.145 50 0 CGAARO c1ccc2ncc(C[C@@H]3CC[C@H](C[NH+]4CCCC4)O3)cc2c1 ZINC000067676139 369724157 /nfs/dbraw/zinc/72/41/57/369724157.db2.gz XHSFJPYWNYRCDM-ZWKOTPCHSA-N 1 0 296.414 3.421 50 0 CGAARO Cc1ccc2cc(C[N@@H+](CC3CC3)C(C)C)c(=O)[nH]c2c1 ZINC000067755986 369727309 /nfs/dbraw/zinc/72/73/09/369727309.db2.gz UUMILXVZRDORPI-UHFFFAOYSA-N 1 0 284.403 3.457 50 0 CGAARO C(=C/c1cccc(N2CC[NH2+]CC2)c1)\c1ccccc1 ZINC000067883638 369733090 /nfs/dbraw/zinc/73/30/90/369733090.db2.gz GGWCGLDPZZEVKQ-MDZDMXLPSA-N 1 0 264.372 3.267 50 0 CGAARO CCc1nnc(C[N@@H+]2C[C@H](c3ccsc3)C[C@@H]2C)o1 ZINC000075145877 369896992 /nfs/dbraw/zinc/89/69/92/369896992.db2.gz OILNIDJAEWZAIL-CMPLNLGQSA-N 1 0 277.393 3.072 50 0 CGAARO Cc1noc(CC[NH2+][C@H](C)c2cc3ccccc3o2)n1 ZINC000089518355 370042465 /nfs/dbraw/zinc/04/24/65/370042465.db2.gz BAYKOIQUOGXVMA-SNVBAGLBSA-N 1 0 271.320 3.018 50 0 CGAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000090393089 370060488 /nfs/dbraw/zinc/06/04/88/370060488.db2.gz DNXKNOODCZUJDD-SWLSCSKDSA-N 1 0 258.365 3.404 50 0 CGAARO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000092660379 370099201 /nfs/dbraw/zinc/09/92/01/370099201.db2.gz DFBNOGSLOXRTIC-KSVUCXBSSA-N 1 0 286.419 3.067 50 0 CGAARO CCCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089953348 370052217 /nfs/dbraw/zinc/05/22/17/370052217.db2.gz WRTIRNURNBSWKP-QGZVFWFLSA-N 1 0 288.435 3.348 50 0 CGAARO C[NH+](C)CC[C@H](Nc1cc(C2CC2)ncn1)c1ccccc1 ZINC000095359655 370179515 /nfs/dbraw/zinc/17/95/15/370179515.db2.gz CAVGZTFFBLOYKW-INIZCTEOSA-N 1 0 296.418 3.459 50 0 CGAARO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000095406529 370184264 /nfs/dbraw/zinc/18/42/64/370184264.db2.gz GIVMPZZZWOKYDS-OLZOCXBDSA-N 1 0 280.412 3.392 50 0 CGAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000093808383 370159863 /nfs/dbraw/zinc/15/98/63/370159863.db2.gz YOSLNQOYIQUNRF-AWEZNQCLSA-N 1 0 298.386 3.034 50 0 CGAARO c1ccc(COC[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)cc1 ZINC000096441561 370211743 /nfs/dbraw/zinc/21/17/43/370211743.db2.gz UJIOARYLJUROBG-MSOLQXFVSA-N 1 0 289.419 3.094 50 0 CGAARO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000097038957 370215705 /nfs/dbraw/zinc/21/57/05/370215705.db2.gz CJBFVHIHXNUDRZ-LBPRGKRZSA-N 1 0 283.437 3.004 50 0 CGAARO CC[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC000097108495 370225918 /nfs/dbraw/zinc/22/59/18/370225918.db2.gz QNCYXFPQXKCOQV-ZACQAIPSSA-N 1 0 280.456 3.003 50 0 CGAARO Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)o1 ZINC000097110064 370226248 /nfs/dbraw/zinc/22/62/48/370226248.db2.gz AQTCFXOKJYMGNV-HNNXBMFYSA-N 1 0 256.349 3.094 50 0 CGAARO C[NH+](C)[C@H]1CCCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000097173237 370232261 /nfs/dbraw/zinc/23/22/61/370232261.db2.gz XWJLNNMLVMOWAH-RCFWFJCLSA-N 1 0 276.399 3.255 50 0 CGAARO CCn1cc(C2CC[NH+](Cc3cnc(C)s3)CC2)cn1 ZINC000097203656 370232319 /nfs/dbraw/zinc/23/23/19/370232319.db2.gz ZICXSYOAPBNIOR-UHFFFAOYSA-N 1 0 290.436 3.048 50 0 CGAARO COc1ccc(/C=C/C[N@H+](C)CC2(CO)CCCC2)cc1 ZINC000097814972 370254454 /nfs/dbraw/zinc/25/44/54/370254454.db2.gz ZLWPHCBDIZHYPR-AATRIKPKSA-N 1 0 289.419 3.193 50 0 CGAARO Cc1cc(F)cc(NC(=O)NCCCC[NH+]2CCCC2)c1 ZINC000097551244 370244990 /nfs/dbraw/zinc/24/49/90/370244990.db2.gz DSKUOIDCWXZBNV-UHFFFAOYSA-N 1 0 293.386 3.132 50 0 CGAARO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc2cc(O)ccc2c1 ZINC000097527262 370245664 /nfs/dbraw/zinc/24/56/64/370245664.db2.gz LGWHADWXUVQKPC-UHFFFAOYSA-N 1 0 281.359 3.209 50 0 CGAARO C[C@H](C[NH+]1CCC(c2ncon2)CC1)c1ccccc1 ZINC000097594781 370247370 /nfs/dbraw/zinc/24/73/70/370247370.db2.gz MNOWYQAFFSPBJN-CYBMUJFWSA-N 1 0 271.364 3.053 50 0 CGAARO CNc1nc(C)cc(-c2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000097660488 370250425 /nfs/dbraw/zinc/25/04/25/370250425.db2.gz FUWXDZKMKCITKX-LBPRGKRZSA-N 1 0 270.380 3.116 50 0 CGAARO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)C1CCOCC1 ZINC000095419469 370187083 /nfs/dbraw/zinc/18/70/83/370187083.db2.gz JNHHNSDWCMHMJG-GFCCVEGCSA-N 1 0 299.361 3.235 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)cc1C ZINC000095419724 370187144 /nfs/dbraw/zinc/18/71/44/370187144.db2.gz YBRGSHZTSUGEIC-UKRRQHHQSA-N 1 0 259.349 3.281 50 0 CGAARO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1c(F)cccc1F ZINC000095420747 370188349 /nfs/dbraw/zinc/18/83/49/370188349.db2.gz WYKMEPCYNYHVAS-LLVKDONJSA-N 1 0 296.361 3.064 50 0 CGAARO O=C1C[C@H](C[NH2+]C[C@@H]2CC=CCC2)c2ccccc2N1 ZINC000095434086 370192824 /nfs/dbraw/zinc/19/28/24/370192824.db2.gz ZMPKQNWLTHTOIK-ZIAGYGMSSA-N 1 0 270.376 3.058 50 0 CGAARO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2nncn2C2CC2)CC1 ZINC000095434012 370192930 /nfs/dbraw/zinc/19/29/30/370192930.db2.gz YPKFWYZOYDRZBI-UONOGXRCSA-N 1 0 276.428 3.308 50 0 CGAARO CCSC1(C[NH2+]C[C@@H]2CC=CCC2)CCOCC1 ZINC000095973166 370202378 /nfs/dbraw/zinc/20/23/78/370202378.db2.gz WHTFZVYRRSQMEC-CQSZACIVSA-N 1 0 269.454 3.235 50 0 CGAARO CCC(CC)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000130995968 371075889 /nfs/dbraw/zinc/07/58/89/371075889.db2.gz WWPQTOYUDHWQNR-UHFFFAOYSA-N 1 0 251.370 3.324 50 0 CGAARO COc1c(C)cnc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C ZINC000132614017 371188713 /nfs/dbraw/zinc/18/87/13/371188713.db2.gz MCBKZSUNBGJUTM-CQSZACIVSA-N 1 0 292.423 3.143 50 0 CGAARO COC1([C@@H](C)[NH2+]Cc2scnc2C)CCCCC1 ZINC000421832776 371657263 /nfs/dbraw/zinc/65/72/63/371657263.db2.gz NAZMYXCIRKOUFH-GFCCVEGCSA-N 1 0 268.426 3.279 50 0 CGAARO C[C@H](c1cccc(-c2cnsn2)c1)[NH+]1CCCC1 ZINC000426392712 372155054 /nfs/dbraw/zinc/15/50/54/372155054.db2.gz FHFYMZNONTUINO-LLVKDONJSA-N 1 0 259.378 3.362 50 0 CGAARO CCC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccsc1 ZINC000187745000 375085594 /nfs/dbraw/zinc/08/55/94/375085594.db2.gz NEOXDTAFYKTDFX-CHWSQXEVSA-N 1 0 271.451 3.047 50 0 CGAARO CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C[NH3+])o1 ZINC000095971671 541992608 /nfs/dbraw/zinc/99/26/08/541992608.db2.gz HLQIUOADLHOYOG-UHFFFAOYSA-N 1 0 298.386 3.239 50 0 CGAARO CC[C@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000192833248 375792961 /nfs/dbraw/zinc/79/29/61/375792961.db2.gz FGDMBEGHVYBYTC-NSHDSACASA-N 1 0 269.335 3.047 50 0 CGAARO CC(C)C[C@@]1(CO)CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000215342935 376145991 /nfs/dbraw/zinc/14/59/91/376145991.db2.gz OECOUSUJBCKWBE-INIZCTEOSA-N 1 0 296.842 3.356 50 0 CGAARO Cc1nc2ccccc2nc1C[N@H+](C)CCC[C@@H]1CCCO1 ZINC000215311604 376146461 /nfs/dbraw/zinc/14/64/61/376146461.db2.gz GUTRMXMDBIWCIM-OAHLLOKOSA-N 1 0 299.418 3.329 50 0 CGAARO C[NH+](C)[C@@H]1CCN(Cc2ccc3cccc(Cl)c3n2)C1 ZINC000215700670 376150551 /nfs/dbraw/zinc/15/05/51/376150551.db2.gz PLIBWJQOFHXOTM-CQSZACIVSA-N 1 0 289.810 3.024 50 0 CGAARO C[C@@H]1CCC[N@H+](CCOc2ccc(C[NH+]3CCC3)cc2)C1 ZINC000216030714 376157530 /nfs/dbraw/zinc/15/75/30/376157530.db2.gz VHAODIMRYGFRAC-MRXNPFEDSA-N 1 0 288.435 3.003 50 0 CGAARO C[C@H](C[NH+]1CCC(c2ccnc(N)n2)CC1)c1ccccc1 ZINC000216256747 376160888 /nfs/dbraw/zinc/16/08/88/376160888.db2.gz WVGKRSWVYALIED-CQSZACIVSA-N 1 0 296.418 3.042 50 0 CGAARO COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000221722086 376219861 /nfs/dbraw/zinc/21/98/61/376219861.db2.gz XERNCVDIKZLSCU-MKBNYLNASA-N 1 0 291.391 3.064 50 0 CGAARO O=C(OC/C=C\c1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000222337164 376233234 /nfs/dbraw/zinc/23/32/34/376233234.db2.gz QGXKAYRFAANWSU-UXHZXRBQSA-N 1 0 285.387 3.117 50 0 CGAARO COc1ncccc1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000225457033 376311713 /nfs/dbraw/zinc/31/17/13/376311713.db2.gz QOQVHAKZOIODLQ-GDBMZVCRSA-N 1 0 297.402 3.338 50 0 CGAARO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000225548133 376316701 /nfs/dbraw/zinc/31/67/01/376316701.db2.gz DMGAGTBEDWGFHP-QGZVFWFLSA-N 1 0 285.391 3.025 50 0 CGAARO Cc1noc(C)c1C[N@H+](C)CCCCC1CCOCC1 ZINC000225626294 376320329 /nfs/dbraw/zinc/32/03/29/376320329.db2.gz PELWRXBAWQZNPI-UHFFFAOYSA-N 1 0 280.412 3.320 50 0 CGAARO CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000225801551 376326968 /nfs/dbraw/zinc/32/69/68/376326968.db2.gz ZGTDISUYGVJTQR-DZGCQCFKSA-N 1 0 290.407 3.144 50 0 CGAARO C[N@H+](CCc1ccccn1)[C@@H](c1ccccn1)C1CC1 ZINC000244817095 376799076 /nfs/dbraw/zinc/79/90/76/376799076.db2.gz SUGUGQNBDYHJRW-QGZVFWFLSA-N 1 0 267.376 3.102 50 0 CGAARO CSc1cccc(CN(C)CC[C@H]2CCC[N@@H+]2C)c1 ZINC000244626573 376792397 /nfs/dbraw/zinc/79/23/97/376792397.db2.gz FOELPTMOVUWTAX-OAHLLOKOSA-N 1 0 278.465 3.325 50 0 CGAARO CC(C)c1nc(CN(C)CC[N@@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000244899379 376799703 /nfs/dbraw/zinc/79/97/03/376799703.db2.gz ZITCPKRWEAOQHY-DZGCQCFKSA-N 1 0 293.480 3.183 50 0 CGAARO Cc1nc(CC[N@H+](C)CC[C@H](O)c2ccccc2)cs1 ZINC000252509522 377635679 /nfs/dbraw/zinc/63/56/79/377635679.db2.gz YOZSEXPPPOJLGB-INIZCTEOSA-N 1 0 290.432 3.050 50 0 CGAARO CC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CC ZINC000252676180 377650580 /nfs/dbraw/zinc/65/05/80/377650580.db2.gz WGKLLQXRKXICDK-NVXWUHKLSA-N 1 0 288.435 3.156 50 0 CGAARO Cc1cccc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c1C ZINC000253404726 377689124 /nfs/dbraw/zinc/68/91/24/377689124.db2.gz PWDDBDCMTNIMEV-OAHLLOKOSA-N 1 0 286.419 3.109 50 0 CGAARO C[C@@H]1CC[C@@H]([NH2+]CCCCn2ccccc2=O)C[C@H]1C ZINC000253370689 377687353 /nfs/dbraw/zinc/68/73/53/377687353.db2.gz UYJVYGDSPJPEHQ-BZUAXINKSA-N 1 0 276.424 3.043 50 0 CGAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)c2cccs2)CC1 ZINC000575552980 377917624 /nfs/dbraw/zinc/91/76/24/377917624.db2.gz NZLKSZCBVBFBCU-UHFFFAOYSA-N 1 0 292.448 3.085 50 0 CGAARO Fc1ccc([C@@H]2OCC[C@H]2C[NH2+]Cc2cscn2)cc1 ZINC000585081517 378397260 /nfs/dbraw/zinc/39/72/60/378397260.db2.gz RZTRVQGHPBDIES-WFASDCNBSA-N 1 0 292.379 3.150 50 0 CGAARO C[N@H+](Cc1cnc2ccccc2c1)[C@@H]1CCSC1 ZINC000271046230 378438409 /nfs/dbraw/zinc/43/84/09/378438409.db2.gz MCWBVKDZDOSSRK-CQSZACIVSA-N 1 0 258.390 3.172 50 0 CGAARO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778407 379514572 /nfs/dbraw/zinc/51/45/72/379514572.db2.gz LCOSCHKTTNYCRL-SCZZXKLOSA-N 1 0 287.226 3.000 50 0 CGAARO C[C@H](CCn1cccn1)[NH2+]CCCc1ccccc1F ZINC000280262106 379658525 /nfs/dbraw/zinc/65/85/25/379658525.db2.gz LXSGEDZTEUSIFI-CQSZACIVSA-N 1 0 275.371 3.023 50 0 CGAARO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccnn1C)CCCO2 ZINC000089582649 291836830 /nfs/dbraw/zinc/83/68/30/291836830.db2.gz RXXKCFYFWDVPJJ-MRXNPFEDSA-N 1 0 285.391 3.040 50 0 CGAARO Clc1ccc(C[NH2+]Cc2cccnc2-n2cccn2)cc1 ZINC000095350113 184949669 /nfs/dbraw/zinc/94/96/69/184949669.db2.gz FGQCULHJFJWURA-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO Clc1cccc(C[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000095350107 184949723 /nfs/dbraw/zinc/94/97/23/184949723.db2.gz NCVBNOFJILAAQK-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO COc1cccc(CC[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282011616 195472970 /nfs/dbraw/zinc/47/29/70/195472970.db2.gz DNSDGQBDUXQPFB-QGZVFWFLSA-N 1 0 289.419 3.177 50 0 CGAARO CCOc1cccc(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000225801514 130816372 /nfs/dbraw/zinc/81/63/72/130816372.db2.gz ZGTDISUYGVJTQR-ZFWWWQNUSA-N 1 0 290.407 3.144 50 0 CGAARO Cc1cccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)c1 ZINC000096403866 392248748 /nfs/dbraw/zinc/24/87/48/392248748.db2.gz BHTPUFOAUYNKNS-SFHVURJKSA-N 1 0 292.386 3.118 50 0 CGAARO Cc1csc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447535 392256755 /nfs/dbraw/zinc/25/67/55/392256755.db2.gz XWOQMFSBEUMQAG-HIFRSBDPSA-N 1 0 274.389 3.071 50 0 CGAARO COC[C@H]([NH2+]CC=C(C)C)c1ccc(F)c(F)c1 ZINC000181445473 392729896 /nfs/dbraw/zinc/72/98/96/392729896.db2.gz DZDIYFLIGHIJDO-AWEZNQCLSA-N 1 0 255.308 3.208 50 0 CGAARO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c(C)c1 ZINC000215455747 392987531 /nfs/dbraw/zinc/98/75/31/392987531.db2.gz JRURNLCFNZWASH-INIZCTEOSA-N 1 0 263.381 3.005 50 0 CGAARO C[C@@]1([NH2+]Cc2ccc(CO)o2)CCCc2ccccc21 ZINC000547288145 393103080 /nfs/dbraw/zinc/10/30/80/393103080.db2.gz CEAZTRGCVCLMHK-QGZVFWFLSA-N 1 0 271.360 3.113 50 0 CGAARO Clc1ccccc1Cn1c[n+](CCc2ccccc2)cn1 ZINC000252508274 393124814 /nfs/dbraw/zinc/12/48/14/393124814.db2.gz XJAWFWXDRXRAPT-UHFFFAOYSA-N 1 0 298.797 3.115 50 0 CGAARO C[C@@H]([NH3+])c1cc(OCC(F)(F)F)ccc1Br ZINC000575436555 393198982 /nfs/dbraw/zinc/19/89/82/393198982.db2.gz LDKLBAIETXFXFN-ZCFIWIBFSA-N 1 0 298.102 3.410 50 0 CGAARO CCc1ccccc1Cc1noc(CC2CC[NH+](C)CC2)n1 ZINC000585084238 542769102 /nfs/dbraw/zinc/76/91/02/542769102.db2.gz QDELOGUTUUGUGE-UHFFFAOYSA-N 1 0 299.418 3.107 50 0 CGAARO C[N@H+](CCCc1ccco1)Cc1nnc(-c2ccccc2)o1 ZINC000670438666 543154234 /nfs/dbraw/zinc/15/42/34/543154234.db2.gz SYXQSOPIUONATN-UHFFFAOYSA-N 1 0 297.358 3.394 50 0 CGAARO Cc1ccc([C@H](C)CC[N@H+](C)CC2(C)COC2)o1 ZINC000670437217 543154256 /nfs/dbraw/zinc/15/42/56/543154256.db2.gz DZEFQPWFVKQNEJ-GFCCVEGCSA-N 1 0 251.370 3.050 50 0 CGAARO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000108459564 397653138 /nfs/dbraw/zinc/65/31/38/397653138.db2.gz FHSUABMMHNFSIB-IJEWVQPXSA-N 1 0 279.399 3.288 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNc1nc(-c2ccccc2)no1 ZINC000674263124 543278246 /nfs/dbraw/zinc/27/82/46/543278246.db2.gz SZEPSZDWTYHRTD-CQSZACIVSA-N 1 0 286.379 3.023 50 0 CGAARO Cc1ccccc1CSc1nnc(CCCCC[NH3+])o1 ZINC000002549729 169807270 /nfs/dbraw/zinc/80/72/70/169807270.db2.gz YAFBXAAHDSIZMH-UHFFFAOYSA-N 1 0 291.420 3.342 50 0 CGAARO CC(C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004699650 170001431 /nfs/dbraw/zinc/00/14/31/170001431.db2.gz ISKJGCBCSRKNLZ-UHFFFAOYSA-N 1 0 294.826 3.077 50 0 CGAARO CC(=O)c1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004842804 170028979 /nfs/dbraw/zinc/02/89/79/170028979.db2.gz GUJMBRIMFOMAJZ-ZIAGYGMSSA-N 1 0 275.392 3.246 50 0 CGAARO Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000004891685 170036833 /nfs/dbraw/zinc/03/68/33/170036833.db2.gz QZEZWZXTAIGYBG-UHFFFAOYSA-N 1 0 269.344 3.322 50 0 CGAARO Clc1cccc(OCC[NH+]2CCCC2)c1Cl ZINC000005023999 170057274 /nfs/dbraw/zinc/05/72/74/170057274.db2.gz KQIROZQFPOFITM-UHFFFAOYSA-N 1 0 260.164 3.468 50 0 CGAARO [NH3+]CCCCCc1nnc(SCc2ccccc2)o1 ZINC000005047471 170060791 /nfs/dbraw/zinc/06/07/91/170060791.db2.gz PGASPPLMWWTOFZ-UHFFFAOYSA-N 1 0 277.393 3.033 50 0 CGAARO C[NH2+]CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000005140937 170070649 /nfs/dbraw/zinc/07/06/49/170070649.db2.gz UICFCNIVUDNZSW-AWEZNQCLSA-N 1 0 260.768 3.476 50 0 in-vitro CGAARO FC(F)(F)c1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000005757123 170137632 /nfs/dbraw/zinc/13/76/32/170137632.db2.gz YVSWMTLCGPIONL-UHFFFAOYSA-N 1 0 266.266 3.390 50 0 CGAARO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1 ZINC000007538505 170290373 /nfs/dbraw/zinc/29/03/73/170290373.db2.gz MLXUYDQOYOTPRK-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO COc1ccc(C)cc1C[NH2+]CCOc1ccc(C)cc1 ZINC000007736185 170299714 /nfs/dbraw/zinc/29/97/14/170299714.db2.gz PITJOWYCTIXNMO-UHFFFAOYSA-N 1 0 285.387 3.481 50 0 CGAARO Cc1cc(NC(=O)[C@@H]([NH2+]C2CCCC2)c2ccccc2)no1 ZINC000008704328 170347798 /nfs/dbraw/zinc/34/77/98/170347798.db2.gz QPMAHIHRLOICCH-INIZCTEOSA-N 1 0 299.374 3.195 50 0 CGAARO c1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000008731137 170351361 /nfs/dbraw/zinc/35/13/61/170351361.db2.gz KHSFZCPGVFDBKX-UHFFFAOYSA-N 1 0 267.376 3.158 50 0 CGAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C1CCC1 ZINC000012706648 170505186 /nfs/dbraw/zinc/50/51/86/170505186.db2.gz FGYYILWSQWFIAB-NSHDSACASA-N 1 0 268.364 3.050 50 0 CGAARO CC(C)C[C@@H](CNCc1c(F)cccc1F)[NH+](C)C ZINC000020201122 171065423 /nfs/dbraw/zinc/06/54/23/171065423.db2.gz NINYQBLGEZOXTH-LBPRGKRZSA-N 1 0 270.367 3.031 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000020927910 171280583 /nfs/dbraw/zinc/28/05/83/171280583.db2.gz MQMLMMONBSAJAT-UHFFFAOYSA-N 1 0 262.740 3.033 50 0 CGAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccccc1 ZINC000021175280 171298889 /nfs/dbraw/zinc/29/88/89/171298889.db2.gz TWELJWNHAIBAQM-AWEZNQCLSA-N 1 0 287.407 3.073 50 0 CGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000021720446 171320597 /nfs/dbraw/zinc/32/05/97/171320597.db2.gz RIHNWRQUDNLHHQ-CQSZACIVSA-N 1 0 257.337 3.024 50 0 CGAARO FC(F)Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000035223357 172067170 /nfs/dbraw/zinc/06/71/70/172067170.db2.gz VRMCUVTYDXMADF-LLVKDONJSA-N 1 0 291.725 3.210 50 0 CGAARO CC[C@@H]([NH2+]CCOC)c1cccc(Br)c1 ZINC000037186375 173017666 /nfs/dbraw/zinc/01/76/66/173017666.db2.gz FCURROZSPMNQRI-GFCCVEGCSA-N 1 0 272.186 3.136 50 0 CGAARO CCC[N@H+](CC)Cc1ccc(OCC)c(OC)c1 ZINC000040119918 174193122 /nfs/dbraw/zinc/19/31/22/174193122.db2.gz XAFYDXVWYMHGMB-UHFFFAOYSA-N 1 0 251.370 3.326 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000069511359 175835363 /nfs/dbraw/zinc/83/53/63/175835363.db2.gz DHTCOPQPZLLFHJ-CQSZACIVSA-N 1 0 296.374 3.025 50 0 CGAARO CN1CCC([N@@H+](Cc2ccncc2)C[C@H]2CC=CCC2)CC1 ZINC000072153690 176328190 /nfs/dbraw/zinc/32/81/90/176328190.db2.gz YXELGGXCJOVLRI-KRWDZBQOSA-N 1 0 299.462 3.334 50 0 CGAARO Cc1cccc(Nc2cc(C)nc(C3CC[NH2+]CC3)c2)n1 ZINC000072343473 176372201 /nfs/dbraw/zinc/37/22/01/176372201.db2.gz KPDSMPPNQLFVDE-UHFFFAOYSA-N 1 0 282.391 3.304 50 0 CGAARO C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076682105 177059634 /nfs/dbraw/zinc/05/96/34/177059634.db2.gz GIXNVBJCPQBDHW-SQNIBIBYSA-N 1 0 294.483 3.142 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(OC)c1 ZINC000078497886 177347796 /nfs/dbraw/zinc/34/77/96/177347796.db2.gz KPJURZIZABKNSO-INIZCTEOSA-N 1 0 299.370 3.187 50 0 CGAARO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCSC1 ZINC000130642617 287360030 /nfs/dbraw/zinc/36/00/30/287360030.db2.gz NOSNFXWMKGTVIN-CQSZACIVSA-N 1 0 273.405 3.014 50 0 CGAARO c1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000328592699 226707566 /nfs/dbraw/zinc/70/75/66/226707566.db2.gz BJGIUIJVYKIXKU-ILXRZTDVSA-N 1 0 279.474 3.198 50 0 CGAARO C[C@H](O)[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000685939755 544109975 /nfs/dbraw/zinc/10/99/75/544109975.db2.gz KCGWWFAOCNXXLC-HPBDAGMYSA-N 1 0 273.420 3.416 50 0 CGAARO Brc1ccc(N2CC[NH2+]CC2)c2ccccc12 ZINC000028341342 273473464 /nfs/dbraw/zinc/47/34/64/273473464.db2.gz BCQFDRDTLZIOGL-UHFFFAOYSA-N 1 0 291.192 3.012 50 0 CGAARO CC[NH2+]CCOc1c(C)cc(Br)cc1C ZINC000006703067 273685853 /nfs/dbraw/zinc/68/58/53/273685853.db2.gz HVBGAPWRBAIEFL-UHFFFAOYSA-N 1 0 272.186 3.054 50 0 CGAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007142982 275044502 /nfs/dbraw/zinc/04/45/02/275044502.db2.gz CKVQWMDUDKOPKL-KGLIPLIRSA-N 1 0 286.375 3.207 50 0 CGAARO OC1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000129407621 275045166 /nfs/dbraw/zinc/04/51/66/275045166.db2.gz PCWZWBRVDZWLFI-UHFFFAOYSA-N 1 0 291.288 3.238 50 0 CGAARO CCN1CCC[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000043053792 276165872 /nfs/dbraw/zinc/16/58/72/276165872.db2.gz JODIUSQJXNIDLQ-DLBZAZTESA-N 1 0 264.457 3.373 50 0 CGAARO COc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688766 277458277 /nfs/dbraw/zinc/45/82/77/277458277.db2.gz LACQLKYZMSEMTM-QGZVFWFLSA-N 1 0 278.355 3.412 50 0 biogenic CGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000069489415 281696186 /nfs/dbraw/zinc/69/61/86/281696186.db2.gz OBIYSMBTNNZIPB-GJZGRUSLSA-N 1 0 297.402 3.207 50 0 CGAARO C[NH+](C)C[C@H]1CCCC[C@@]1(O)c1cccc(Cl)c1 ZINC000005719558 289210578 /nfs/dbraw/zinc/21/05/78/289210578.db2.gz YCYVEJKHHUUACO-UKRRQHHQSA-N 1 0 267.800 3.279 50 0 CGAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249181904 304828931 /nfs/dbraw/zinc/82/89/31/304828931.db2.gz INTHERKCYBJFMN-RNJOBUHISA-N 1 0 279.346 3.248 50 0 CGAARO Fc1ccc(-c2csc(C[NH2+][C@H]3CCCOC3)n2)cc1 ZINC000534642376 328329075 /nfs/dbraw/zinc/32/90/75/328329075.db2.gz ZQGBDDCMCVNEGS-ZDUSSCGKSA-N 1 0 292.379 3.218 50 0 CGAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534655975 328339882 /nfs/dbraw/zinc/33/98/82/328339882.db2.gz IYKOCAVMAPKRSC-ZDUSSCGKSA-N 1 0 289.810 3.246 50 0 CGAARO Cc1ccnc(C[NH2+]C2CCN(c3ccccc3C)CC2)c1 ZINC000534662186 328350083 /nfs/dbraw/zinc/35/00/83/328350083.db2.gz YHLZRGAISNTBCK-UHFFFAOYSA-N 1 0 295.430 3.457 50 0 CGAARO Cc1cc(C)c(C)c(OCCOCC[NH+]2CCCCC2)c1 ZINC000002896646 518186665 /nfs/dbraw/zinc/18/66/65/518186665.db2.gz JJYGXPUULDSUBO-UHFFFAOYSA-N 1 0 291.435 3.493 50 0 CGAARO Cc1ccc2ncc(C[NH2+][C@H]3CCC[C@H]3CCO)cc2c1 ZINC000411654239 534521807 /nfs/dbraw/zinc/52/18/07/534521807.db2.gz XIAQNAZUSSTQOD-RDJZCZTQSA-N 1 0 284.403 3.184 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000125873301 521138853 /nfs/dbraw/zinc/13/88/53/521138853.db2.gz YSEJYDXQPIVVOE-NWDGAFQWSA-N 1 0 280.799 3.002 50 0 CGAARO CC(C)=CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000170953199 527430914 /nfs/dbraw/zinc/43/09/14/527430914.db2.gz QBEXKIBCVQWUKD-UHFFFAOYSA-N 1 0 278.440 3.114 50 0 CGAARO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000170601617 527741982 /nfs/dbraw/zinc/74/19/82/527741982.db2.gz LDHXRXKGOUSNLR-GJZGRUSLSA-N 1 0 294.439 3.212 50 0 CGAARO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccccn3)C2)c1 ZINC000083403178 570332457 /nfs/dbraw/zinc/33/24/57/570332457.db2.gz LONXQOBQHHLNMJ-CQSZACIVSA-N 1 0 298.386 3.088 50 0 CGAARO CCc1nc(C)c([C@@H](C)N(C)Cc2cccnc2N)s1 ZINC000952963338 615737960 /nfs/dbraw/zinc/73/79/60/615737960.db2.gz HEHVRGCBETXJFE-LLVKDONJSA-N 1 0 290.436 3.184 50 0 CGAARO CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000199236 618743864 /nfs/dbraw/zinc/74/38/64/618743864.db2.gz LPHHNLIHWVXNBH-UHFFFAOYSA-N 1 0 286.341 3.231 50 0 CGAARO Cc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004010940 619024861 /nfs/dbraw/zinc/02/48/61/619024861.db2.gz VWZYVUSISCBLJJ-DLBZAZTESA-N 1 0 287.403 3.416 50 0 CGAARO Clc1ccc(N2CCN(Cc3ccoc3)CC2)cc1 ZINC000055543872 622834893 /nfs/dbraw/zinc/83/48/93/622834893.db2.gz JTKUJCDEUBMDCM-UHFFFAOYSA-N 1 0 276.767 3.255 50 0 CGAARO Cc1ccc(NCCC[NH2+]Cc2ccc(Cl)o2)nc1 ZINC000952975940 636776076 /nfs/dbraw/zinc/77/60/76/636776076.db2.gz ZVAWSQGADOJJIH-UHFFFAOYSA-N 1 0 279.771 3.228 50 0 CGAARO COCC1(C[NH2+]Cc2ccc3cc(O)ccc3c2)CCC1 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ZINC000000156078 368305276 /nfs/dbraw/zinc/30/52/76/368305276.db2.gz LNVIUOFYRLPMIF-UHFFFAOYSA-N 1 0 282.392 3.179 50 0 CGAARO CC1=C[C@@H](C)C2(COC(c3ccc[n+](C)c3)OC2)[C@@H](C)C1 ZINC000000273314 368330445 /nfs/dbraw/zinc/33/04/45/368330445.db2.gz YLPVKFCCZWGVGJ-WWXIPJKBSA-N 1 0 288.411 3.165 50 0 CGAARO C/C=C(\C)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000000278835 368332403 /nfs/dbraw/zinc/33/24/03/368332403.db2.gz OFBBRCRBNFPJPS-LHHJGKSTSA-N 1 0 258.409 3.392 50 0 CGAARO CCC[n+]1ccc2c3ccc(OC)cc3[nH]c2c1C ZINC000000394503 368356095 /nfs/dbraw/zinc/35/60/95/368356095.db2.gz QFGPVRWNFTZFLG-UHFFFAOYSA-O 1 0 255.341 3.336 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000002699697 368472861 /nfs/dbraw/zinc/47/28/61/368472861.db2.gz ABLQPKMXLOVVBU-MGPQQGTHSA-N 1 0 297.826 3.058 50 0 CGAARO COc1cccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1 ZINC000002514883 368459519 /nfs/dbraw/zinc/45/95/19/368459519.db2.gz DADASJBIVRAZEC-UHFFFAOYSA-N 1 0 293.366 3.298 50 0 CGAARO Oc1cc2c(cc1Cl)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000002539831 368461672 /nfs/dbraw/zinc/46/16/72/368461672.db2.gz ZVKJSJAERRMBMR-CQSZACIVSA-N 1 0 273.763 3.323 50 0 in-vivo CGAARO C[NH+](C)CCCOc1ccc(Cl)cc1Br ZINC000002825153 368479733 /nfs/dbraw/zinc/47/97/33/368479733.db2.gz ODXWTIQZKBOZDX-UHFFFAOYSA-N 1 0 292.604 3.433 50 0 CGAARO Cc1cc(C)c(OCCOCC[NH2+]C(C)C)c(Cl)c1 ZINC000002981048 368486595 /nfs/dbraw/zinc/48/65/95/368486595.db2.gz IBVXUYCEUAOXCK-UHFFFAOYSA-N 1 0 285.815 3.350 50 0 CGAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000003230992 368497253 /nfs/dbraw/zinc/49/72/53/368497253.db2.gz MOSHHGCLQLVQCR-UHFFFAOYSA-N 1 0 288.435 3.342 50 0 CGAARO CCCC[NH+](CCCC)C[C@@H](O)CNc1ccc(O)cc1 ZINC000004774844 368558879 /nfs/dbraw/zinc/55/88/79/368558879.db2.gz GQZCOGCDLLCHJG-KRWDZBQOSA-N 1 0 294.439 3.067 50 0 CGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004197763 368536403 /nfs/dbraw/zinc/53/64/03/368536403.db2.gz VBRPHTQWMPRTIL-NFAWXSAZSA-N 1 0 297.826 3.343 50 0 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293.436 3.014 50 0 CGAARO Cc1cc(C(=O)NCC[NH+](C)C)sc1-c1ccccc1 ZINC000013328040 368650581 /nfs/dbraw/zinc/65/05/81/368650581.db2.gz IXAXRBBYMHQUBZ-UHFFFAOYSA-N 1 0 288.416 3.015 50 0 CGAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000016353857 368711669 /nfs/dbraw/zinc/71/16/69/368711669.db2.gz KTSANESHJMQZPS-AWEZNQCLSA-N 1 0 276.424 3.038 50 0 CGAARO CCC[NH+]1CCC(NC(=O)[C@H](CC)c2ccccc2)CC1 ZINC000016580165 368716007 /nfs/dbraw/zinc/71/60/07/368716007.db2.gz UPZHONHXODPQHM-QGZVFWFLSA-N 1 0 288.435 3.171 50 0 CGAARO CCOc1ccccc1OC/C=C/C[NH+]1CCCC1 ZINC000016622560 368718043 /nfs/dbraw/zinc/71/80/43/368718043.db2.gz GBTYVCYPBGOPBF-BQYQJAHWSA-N 1 0 261.365 3.116 50 0 CGAARO Cc1cccc(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000014189219 368676926 /nfs/dbraw/zinc/67/69/26/368676926.db2.gz YAHGBFVTHNZBSN-GASCZTMLSA-N 1 0 290.432 3.377 50 0 CGAARO Nc1ccc(OCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000014630194 368682396 /nfs/dbraw/zinc/68/23/96/368682396.db2.gz VRGYZPGHCXHOJS-UHFFFAOYSA-N 1 0 288.313 3.152 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1 ZINC000019607172 368758742 /nfs/dbraw/zinc/75/87/42/368758742.db2.gz SQHWKRORNZPNBZ-UHFFFAOYSA-N 1 0 260.768 3.410 50 0 CGAARO CCc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000019720317 368760551 /nfs/dbraw/zinc/76/05/51/368760551.db2.gz CZXYNIYVRSDABG-UHFFFAOYSA-N 1 0 277.408 3.130 50 0 CGAARO c1ccc(CCCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000019595425 368757919 /nfs/dbraw/zinc/75/79/19/368757919.db2.gz GRRWYYDCSBCBKJ-GOSISDBHSA-N 1 0 272.436 3.179 50 0 CGAARO Cc1ccc(C)c(C[N@H+](C)C[C@H](O)c2ccccc2)c1 ZINC000023279887 368818126 /nfs/dbraw/zinc/81/81/26/368818126.db2.gz OIVQWFBXVFYLNU-SFHVURJKSA-N 1 0 269.388 3.469 50 0 CGAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000023280778 368820781 /nfs/dbraw/zinc/82/07/81/368820781.db2.gz SJTMOGBUXNZXMN-MRXNPFEDSA-N 1 0 283.371 3.436 50 0 CGAARO CC[C@@H](C)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019900094 368777740 /nfs/dbraw/zinc/77/77/40/368777740.db2.gz JWTOMJUFGNDBMM-MRXNPFEDSA-N 1 0 260.425 3.035 50 0 CGAARO CCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019907125 368780027 /nfs/dbraw/zinc/78/00/27/368780027.db2.gz UYOJHPGIQVUOHK-UHFFFAOYSA-N 1 0 260.150 3.478 50 0 CGAARO C[N@@H+]1CCC[C@H](CSc2cccc(Cl)n2)C1 ZINC000034523259 368975591 /nfs/dbraw/zinc/97/55/91/368975591.db2.gz FURBUUJUFWMMOW-JTQLQIEISA-N 1 0 256.802 3.169 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000032131957 368926669 /nfs/dbraw/zinc/92/66/69/368926669.db2.gz SOOVNYDDWBGALR-GOSISDBHSA-N 1 0 285.387 3.297 50 0 CGAARO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000032870843 368948740 /nfs/dbraw/zinc/94/87/40/368948740.db2.gz UVFBKWFTSDDCJL-QGZVFWFLSA-N 1 0 297.402 3.191 50 0 CGAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000032911510 368952387 /nfs/dbraw/zinc/95/23/87/368952387.db2.gz BAMMMIZQZQKORX-GOSISDBHSA-N 1 0 294.398 3.081 50 0 CGAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036096766 369009537 /nfs/dbraw/zinc/00/95/37/369009537.db2.gz LYSCBRMPBQEOAU-QGZVFWFLSA-N 1 0 293.451 3.321 50 0 CGAARO Clc1cccc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000042783664 369232251 /nfs/dbraw/zinc/23/22/51/369232251.db2.gz DTLVTCSIZOCIED-UHFFFAOYSA-N 1 0 287.794 3.057 50 0 CGAARO COCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075921 369462388 /nfs/dbraw/zinc/46/23/88/369462388.db2.gz WRYATWVEKZVOLA-UHFFFAOYSA-N 1 0 253.773 3.341 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000052552615 369469264 /nfs/dbraw/zinc/46/92/64/369469264.db2.gz PSUUMIWVJGUWGB-UHFFFAOYSA-N 1 0 298.789 3.083 50 0 CGAARO Cc1occc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054225289 369498815 /nfs/dbraw/zinc/49/88/15/369498815.db2.gz SUTLJBBMLDWEOI-BBRMVZONSA-N 1 0 298.386 3.153 50 0 CGAARO CCN(C(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000057992579 369551838 /nfs/dbraw/zinc/55/18/38/369551838.db2.gz WPBDVZVNUAKDFK-UHFFFAOYSA-N 1 0 282.387 3.289 50 0 CGAARO CC[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058299334 369563844 /nfs/dbraw/zinc/56/38/44/369563844.db2.gz WTVDRYUFLSNQMS-KGLIPLIRSA-N 1 0 294.464 3.122 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCCO2 ZINC000060100363 369584867 /nfs/dbraw/zinc/58/48/67/369584867.db2.gz SEWDXKOSHKJYDO-CQSZACIVSA-N 1 0 261.365 3.222 50 0 CGAARO CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000060366575 369585895 /nfs/dbraw/zinc/58/58/95/369585895.db2.gz MHPBNHQZSTZDFR-CYBMUJFWSA-N 1 0 289.354 3.465 50 0 CGAARO O=C(NCCC[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000061548105 369601662 /nfs/dbraw/zinc/60/16/62/369601662.db2.gz ZBVKVPFCACTNFS-UHFFFAOYSA-N 1 0 288.416 3.117 50 0 CGAARO CCOc1ccccc1OCC[N@H+](C)Cc1ccoc1 ZINC000063856595 369649157 /nfs/dbraw/zinc/64/91/57/369649157.db2.gz IRSAWKRSJJMYKQ-UHFFFAOYSA-N 1 0 275.348 3.189 50 0 CGAARO CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065286098 369666240 /nfs/dbraw/zinc/66/62/40/369666240.db2.gz VPFYNEJUYJGGPQ-ZDUSSCGKSA-N 1 0 272.352 3.069 50 0 CGAARO C/C=C(\C)C[N@@H+]1CC[C@@H](c2sccc2C)[C@H](O)C1 ZINC000065409438 369673995 /nfs/dbraw/zinc/67/39/95/369673995.db2.gz ALHSKZGKHRXJOO-BAXJGOPVSA-N 1 0 265.422 3.173 50 0 CGAARO COc1ccccc1[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000065622676 369684830 /nfs/dbraw/zinc/68/48/30/369684830.db2.gz WQLBVPAXKKZXPD-CQSZACIVSA-N 1 0 270.376 3.326 50 0 CGAARO Cc1c(Cn2ccnc2[C@@H](C)c2ccccc2)cnn1C ZINC000067967473 369737135 /nfs/dbraw/zinc/73/71/35/369737135.db2.gz REEGUIHELVJGDQ-ZDUSSCGKSA-N 1 0 280.375 3.125 50 0 CGAARO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000069420447 369759029 /nfs/dbraw/zinc/75/90/29/369759029.db2.gz ILDWICOBPZGODN-UHFFFAOYSA-N 1 0 286.375 3.121 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(C)nc3ccccc23)c1 ZINC000069484701 369761680 /nfs/dbraw/zinc/76/16/80/369761680.db2.gz LSONLYQVECOULW-OAHLLOKOSA-N 1 0 294.402 3.226 50 0 CGAARO COc1ccc2c(c1)CCC[N@@H+](Cc1c(C)noc1C)C2 ZINC000069528230 369763128 /nfs/dbraw/zinc/76/31/28/369763128.db2.gz XADMUELTMAQBIM-UHFFFAOYSA-N 1 0 286.375 3.248 50 0 CGAARO Cc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)on1 ZINC000069659741 369766000 /nfs/dbraw/zinc/76/60/00/369766000.db2.gz ZTKLEWJVYARILI-ZDUSSCGKSA-N 1 0 260.312 3.112 50 0 CGAARO Fc1c(Cl)cccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067789463 369728462 /nfs/dbraw/zinc/72/84/62/369728462.db2.gz PRNSEIHSSWBGBF-OAHLLOKOSA-N 1 0 282.790 3.055 50 0 CGAARO O[C@H](c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071772210 369809920 /nfs/dbraw/zinc/80/99/20/369809920.db2.gz GUVADVVPSJFACH-QZTJIDSGSA-N 1 0 267.372 3.242 50 0 CGAARO Cc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071775923 369812300 /nfs/dbraw/zinc/81/23/00/369812300.db2.gz OZVZLEIYMYIUAM-INIZCTEOSA-N 1 0 297.402 3.232 50 0 CGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(-c3ccccc3)no1)C2 ZINC000074995955 369894536 /nfs/dbraw/zinc/89/45/36/369894536.db2.gz MEMPNMCNMZDFJT-JKSUJKDBSA-N 1 0 297.402 3.010 50 0 CGAARO [NH3+][C@@H]1CCCCN(Cc2cc(C3CCCCC3)no2)C1 ZINC000082098950 369999391 /nfs/dbraw/zinc/99/93/91/369999391.db2.gz WYBMXEIKIIXDCS-CQSZACIVSA-N 1 0 277.412 3.036 50 0 CGAARO Cc1cccc(C)c1C[NH2+][C@@H](CO)c1ccccc1 ZINC000083411130 370003826 /nfs/dbraw/zinc/00/38/26/370003826.db2.gz XYAQEINDNVIGOM-KRWDZBQOSA-N 1 0 255.361 3.127 50 0 CGAARO Fc1cccc(Cl)c1CC[NH2+]Cc1cccnc1 ZINC000089768046 370046027 /nfs/dbraw/zinc/04/60/27/370046027.db2.gz MBRARIAMOGFVKU-UHFFFAOYSA-N 1 0 264.731 3.206 50 0 CGAARO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccsc1 ZINC000084251222 370012587 /nfs/dbraw/zinc/01/25/87/370012587.db2.gz QBBADVKSAGBRCY-UHFFFAOYSA-N 1 0 294.445 3.014 50 0 CGAARO Cc1nc(CC[NH2+][C@@H]2CCc3ccccc32)cs1 ZINC000089712387 370046737 /nfs/dbraw/zinc/04/67/37/370046737.db2.gz HOIDUJKQYZZXOW-OAHLLOKOSA-N 1 0 258.390 3.271 50 0 CGAARO c1cc([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)n[nH]1 ZINC000089807984 370048134 /nfs/dbraw/zinc/04/81/34/370048134.db2.gz SUDYFDFPDHPQAD-OAHLLOKOSA-N 1 0 292.386 3.338 50 0 CGAARO CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000089627206 370044706 /nfs/dbraw/zinc/04/47/06/370044706.db2.gz DCULVGCYZWFKCE-LBPRGKRZSA-N 1 0 296.436 3.408 50 0 CGAARO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cs1 ZINC000090049640 370054146 /nfs/dbraw/zinc/05/41/46/370054146.db2.gz ZQCWKXJMOQHFCS-GARJFASQSA-N 1 0 254.399 3.095 50 0 CGAARO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCC(O)CC1 ZINC000090800445 370069417 /nfs/dbraw/zinc/06/94/17/370069417.db2.gz KHPJZENLBRNUGH-ZBCRRDGASA-N 1 0 275.392 3.102 50 0 CGAARO COc1ccccc1/C=C/C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810854 370103963 /nfs/dbraw/zinc/10/39/63/370103963.db2.gz YLFCSJFONPMMKA-GQCTYLIASA-N 1 0 297.402 3.311 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000089941609 370051893 /nfs/dbraw/zinc/05/18/93/370051893.db2.gz JWGOFCLPVSIKGA-DOTOQJQBSA-N 1 0 286.419 3.055 50 0 CGAARO C[C@]1(CO)CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093340624 370118110 /nfs/dbraw/zinc/11/81/10/370118110.db2.gz PJBWSQNRVSLZBP-INIZCTEOSA-N 1 0 275.417 3.496 50 0 CGAARO Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)s1 ZINC000093588936 370144830 /nfs/dbraw/zinc/14/48/30/370144830.db2.gz SKSGGNLTIXOISF-UHFFFAOYSA-N 1 0 251.395 3.202 50 0 CGAARO Cc1cnn(-c2cc[nH+]cc2N[C@H](C)c2ccco2)c1 ZINC000097038780 370215476 /nfs/dbraw/zinc/21/54/76/370215476.db2.gz NZSPDMGBKZMBRP-GFCCVEGCSA-N 1 0 268.320 3.342 50 0 CGAARO C[C@@H]1C[C@H]([N@H+](C)CCC2CCCCC2)CCN1C ZINC000097212698 370234010 /nfs/dbraw/zinc/23/40/10/370234010.db2.gz IPJUXIPMIIAGAA-GDBMZVCRSA-N 1 0 252.446 3.371 50 0 CGAARO CNc1cc(C)nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000097243658 370236947 /nfs/dbraw/zinc/23/69/47/370236947.db2.gz QTHDJNYGVKWAKB-GFCCVEGCSA-N 1 0 270.380 3.116 50 0 CGAARO COc1ccc(C)c(NC2CC[NH+](C(C)C)CC2)c1 ZINC000097238244 370237197 /nfs/dbraw/zinc/23/71/97/370237197.db2.gz NJNHENFOTBPXKU-UHFFFAOYSA-N 1 0 262.397 3.288 50 0 CGAARO CC(C)OC[C@H](O)C[N@H+](C)Cc1csc2ccccc12 ZINC000097325272 370237882 /nfs/dbraw/zinc/23/78/82/370237882.db2.gz CGTVJLVGWFIHFV-CQSZACIVSA-N 1 0 293.432 3.119 50 0 CGAARO Cn1cc(C[N@H+](C)Cc2ccncc2)c(-c2ccccc2)n1 ZINC000097375351 370239557 /nfs/dbraw/zinc/23/95/57/370239557.db2.gz MYPASTJIZWVWPG-UHFFFAOYSA-N 1 0 292.386 3.114 50 0 CGAARO CCc1nc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cs1 ZINC000097374472 370239980 /nfs/dbraw/zinc/23/99/80/370239980.db2.gz DCWZHLXVIOKKQU-YGRLFVJLSA-N 1 0 294.395 3.229 50 0 CGAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1csc2ccccc12 ZINC000097547877 370245533 /nfs/dbraw/zinc/24/55/33/370245533.db2.gz NXCBUGPZZDXYDN-CQSZACIVSA-N 1 0 288.416 3.002 50 0 CGAARO CC[NH+](CC)CCN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000097664121 370250233 /nfs/dbraw/zinc/25/02/33/370250233.db2.gz VQWNIGSJCYQLSN-ZDUSSCGKSA-N 1 0 290.407 3.434 50 0 CGAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000097636466 370250360 /nfs/dbraw/zinc/25/03/60/370250360.db2.gz GQTNZFQKLGKPSA-IOMDMTNGSA-N 1 0 279.387 3.369 50 0 CGAARO CNc1nc(C)cc(-c2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000097660486 370250461 /nfs/dbraw/zinc/25/04/61/370250461.db2.gz FUWXDZKMKCITKX-GFCCVEGCSA-N 1 0 270.380 3.116 50 0 CGAARO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1ccco1 ZINC000095423603 370190183 /nfs/dbraw/zinc/19/01/83/370190183.db2.gz LRAGPLOFCFKBFW-NEPJUHHUSA-N 1 0 270.332 3.056 50 0 CGAARO CCOC[C@H](C)[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422676 370190218 /nfs/dbraw/zinc/19/02/18/370190218.db2.gz KGBUUJDQPSLBLY-ZANVPECISA-N 1 0 292.206 3.041 50 0 CGAARO c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccn2)cc1 ZINC000095435734 370192215 /nfs/dbraw/zinc/19/22/15/370192215.db2.gz YLXBSSPLEVCBSU-MAUKXSAKSA-N 1 0 282.387 3.339 50 0 CGAARO O=C1C[C@@H](C[NH2+]C[C@@H]2CC=CCC2)c2ccccc2N1 ZINC000095434085 370192894 /nfs/dbraw/zinc/19/28/94/370192894.db2.gz ZMPKQNWLTHTOIK-KGLIPLIRSA-N 1 0 270.376 3.058 50 0 CGAARO CC[N@@H+]1CCc2nc(NCc3ccccc3)sc2C1 ZINC000095445165 370194156 /nfs/dbraw/zinc/19/41/56/370194156.db2.gz HQJJIMCQYGEENN-UHFFFAOYSA-N 1 0 273.405 3.133 50 0 CGAARO CCCC[C@H](CC)CC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000095445328 370194326 /nfs/dbraw/zinc/19/43/26/370194326.db2.gz MQBQSBPHGKFBBR-AWEZNQCLSA-N 1 0 284.444 3.413 50 0 CGAARO Cc1csc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC000095448877 370195074 /nfs/dbraw/zinc/19/50/74/370195074.db2.gz KFOQVVLTIVLZPO-HZMBPMFUSA-N 1 0 294.395 3.192 50 0 CGAARO CC(C)(C)c1cc(C[NH+]2CCC3(CCOCC3)CC2)[nH]n1 ZINC000097698846 370252004 /nfs/dbraw/zinc/25/20/04/370252004.db2.gz MCOLZQCPQJQLRX-UHFFFAOYSA-N 1 0 291.439 3.100 50 0 CGAARO Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(C)cc1O ZINC000095996983 370203275 /nfs/dbraw/zinc/20/32/75/370203275.db2.gz LTNOGSMSAOHQHN-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO Cc1ccncc1[C@H](C)[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000095988203 370203289 /nfs/dbraw/zinc/20/32/89/370203289.db2.gz XBOHKELHVGUCTL-GJZGRUSLSA-N 1 0 290.407 3.116 50 0 CGAARO Nc1cncc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000096166671 370206988 /nfs/dbraw/zinc/20/69/88/370206988.db2.gz ZOOZHRRKBRETFS-UHFFFAOYSA-N 1 0 267.376 3.317 50 0 CGAARO COc1ccccc1OCCC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000103408264 370328131 /nfs/dbraw/zinc/32/81/31/370328131.db2.gz UGXGDJLLVSDCMC-LSDHHAIUSA-N 1 0 277.408 3.442 50 0 CGAARO CC1(C)C[C@@H]([NH2+]Cc2nc3ccccc3o2)C(C)(C)O1 ZINC000132573950 371185090 /nfs/dbraw/zinc/18/50/90/371185090.db2.gz YSIIFTKVEBOYJF-CYBMUJFWSA-N 1 0 274.364 3.264 50 0 CGAARO COc1ccc([C@@H]([NH2+]C2CCN(C)CC2)C(C)C)c(F)c1 ZINC000421821443 371642836 /nfs/dbraw/zinc/64/28/36/371642836.db2.gz RKJUPYRFOUJJTO-KRWDZBQOSA-N 1 0 294.414 3.215 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237433998 189875864 /nfs/dbraw/zinc/87/58/64/189875864.db2.gz NTLVAZRCYZKWSG-VXGBXAGGSA-N 1 0 292.810 3.002 50 0 CGAARO CC[C@H]([NH2+]CCc1ccnn1CC)c1ccc(F)cc1F ZINC000170616894 372643946 /nfs/dbraw/zinc/64/39/46/372643946.db2.gz IODUMXKUMQPJMU-INIZCTEOSA-N 1 0 293.361 3.465 50 0 CGAARO CC[C@@H](c1nc(-c2nccc3ccccc32)no1)[NH+](C)C ZINC000295754512 372899435 /nfs/dbraw/zinc/89/94/35/372899435.db2.gz AGCKTYJIZFGNEW-ZDUSSCGKSA-N 1 0 282.347 3.298 50 0 CGAARO OCC[N@H+](Cc1csc2ccccc12)Cc1cccnc1 ZINC000305058785 374064605 /nfs/dbraw/zinc/06/46/05/374064605.db2.gz DSFZMPIZKLVHTB-UHFFFAOYSA-N 1 0 298.411 3.291 50 0 CGAARO C[C@@H]([NH2+]Cc1nc2ccccc2s1)[C@@H](C)n1cccn1 ZINC000084139656 541931890 /nfs/dbraw/zinc/93/18/90/541931890.db2.gz GCAQYPNSBNCLQV-VXGBXAGGSA-N 1 0 286.404 3.232 50 0 CGAARO C[C@H]([NH2+]CC1(c2c(F)cccc2F)CC1)c1cnccn1 ZINC000090965247 541964913 /nfs/dbraw/zinc/96/49/13/541964913.db2.gz HUHVRTFPUSWDRL-NSHDSACASA-N 1 0 289.329 3.137 50 0 CGAARO Cc1c(NC(=O)CC[C@@H](C)[NH3+])sc2c1CCCC2 ZINC000193269754 375849814 /nfs/dbraw/zinc/84/98/14/375849814.db2.gz JTHPPVUTXZUUKJ-SECBINFHSA-N 1 0 266.410 3.001 50 0 CGAARO COC[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000195550281 376111747 /nfs/dbraw/zinc/11/17/47/376111747.db2.gz LBCXRFPVYRYXTN-HUUCEWRRSA-N 1 0 277.408 3.157 50 0 CGAARO COc1ccc(OC/C=C\C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000222051637 376227515 /nfs/dbraw/zinc/22/75/15/376227515.db2.gz OYQRBEHEPPHSCO-ABCZVMIZSA-N 1 0 275.392 3.362 50 0 CGAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1sc2ccccc2c1C ZINC000237151322 376733186 /nfs/dbraw/zinc/73/31/86/376733186.db2.gz LONFUPBDXGWBQN-LBPRGKRZSA-N 1 0 288.416 3.034 50 0 CGAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000237587569 376750521 /nfs/dbraw/zinc/75/05/21/376750521.db2.gz IAPLBCUZDIJCNF-LBPRGKRZSA-N 1 0 299.418 3.293 50 0 CGAARO CCC(CC)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000241316695 376778892 /nfs/dbraw/zinc/77/88/92/376778892.db2.gz LUBOZUIOPSVKRT-NSHDSACASA-N 1 0 265.405 3.018 50 0 CGAARO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1)c1cccc(O)c1 ZINC000241465949 376779165 /nfs/dbraw/zinc/77/91/65/376779165.db2.gz NTGYHBLAZIARSF-BZNIZROVSA-N 1 0 291.778 3.430 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000242047943 376780498 /nfs/dbraw/zinc/78/04/98/376780498.db2.gz VRLICOZVESFNON-BZUAXINKSA-N 1 0 292.467 3.215 50 0 CGAARO CCC[N@H+](CCCc1cccnc1)[C@@H]1CCCC[C@H]1O ZINC000244626597 376792798 /nfs/dbraw/zinc/79/27/98/376792798.db2.gz FOQKBZKGQIZUMT-IAGOWNOFSA-N 1 0 276.424 3.030 50 0 CGAARO Clc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246251690 376997602 /nfs/dbraw/zinc/99/76/02/376997602.db2.gz WUFVXZRPDYWJSM-HNNXBMFYSA-N 1 0 264.800 3.010 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000252488037 377630178 /nfs/dbraw/zinc/63/01/78/377630178.db2.gz IHSOWLNLDATCGU-BZPMIXESSA-N 1 0 279.453 3.061 50 0 CGAARO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccncc2)cc1 ZINC000252489699 377631404 /nfs/dbraw/zinc/63/14/04/377631404.db2.gz JXFOUESBJWRNIO-UHFFFAOYSA-N 1 0 297.402 3.105 50 0 CGAARO CC[C@H]([NH3+])C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000253433046 377693316 /nfs/dbraw/zinc/69/33/16/377693316.db2.gz RCDALRUBAOKBQU-HZMBPMFUSA-N 1 0 280.799 3.129 50 0 CGAARO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000253427650 377694161 /nfs/dbraw/zinc/69/41/61/377694161.db2.gz WZADDEYBXZHATR-CQSZACIVSA-N 1 0 297.402 3.242 50 0 CGAARO CCN(Cc1nnc(C)s1)[C@@H](C)c1cccc(OC)c1 ZINC000271438763 378493985 /nfs/dbraw/zinc/49/39/85/378493985.db2.gz PJQFHVHSVHXAQG-NSHDSACASA-N 1 0 291.420 3.438 50 0 CGAARO O=C(c1ccccc1Cl)N1CCC[N@@H+](C2CCC2)CC1 ZINC000374285379 379409183 /nfs/dbraw/zinc/40/91/83/379409183.db2.gz SWEXFTYEAMLBOE-UHFFFAOYSA-N 1 0 292.810 3.040 50 0 CGAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCSC2)cc1 ZINC000267240038 190314028 /nfs/dbraw/zinc/31/40/28/190314028.db2.gz XQCRGXQSGRARPR-AWEZNQCLSA-N 1 0 291.395 3.201 50 0 CGAARO CO[C@@H]1CC[C@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000408518875 380016598 /nfs/dbraw/zinc/01/65/98/380016598.db2.gz GWSUDIAXIRBSJG-DLBZAZTESA-N 1 0 287.403 3.149 50 0 CGAARO CC[C@]1(C)C[C@@](CC[NH3+])(c2ccc(F)cc2)CCO1 ZINC000000183703 169566879 /nfs/dbraw/zinc/56/68/79/169566879.db2.gz WSQUNCWRXSQNNW-CVEARBPZSA-N 1 0 265.372 3.391 50 0 CGAARO CCOC(=O)c1[nH]c2ccccc2c1C[NH+](CC)CC ZINC000000339486 169610961 /nfs/dbraw/zinc/61/09/61/169610961.db2.gz KZYIPFFTBMSUIP-UHFFFAOYSA-N 1 0 274.364 3.186 50 0 CGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224032870 542289658 /nfs/dbraw/zinc/28/96/58/542289658.db2.gz SAPJVVHQMZAWJD-QNSTZXKLSA-N 1 0 269.454 3.064 50 0 CGAARO C[NH+](C)C1(CNC(=O)CCC(F)(F)F)CCCCCC1 ZINC000361609042 381836330 /nfs/dbraw/zinc/83/63/30/381836330.db2.gz VYUYSEMFHNFQMH-UHFFFAOYSA-N 1 0 294.361 3.100 50 0 CGAARO Oc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019376168 285385435 /nfs/dbraw/zinc/38/54/35/285385435.db2.gz QENZPDLDEMHHOC-INIZCTEOSA-N 1 0 264.328 3.109 50 0 biogenic,in-vitro CGAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000000127547 391905287 /nfs/dbraw/zinc/90/52/87/391905287.db2.gz DVUSRTQNSVGNMY-QGZVFWFLSA-N 1 0 291.435 3.282 50 0 CGAARO C[NH+](C)CCC[C@]1(O)c2ccccc2COc2ccccc21 ZINC000002037773 391913616 /nfs/dbraw/zinc/91/36/16/391913616.db2.gz ZEKLFUWSVQYTOO-IBGZPJMESA-N 1 0 297.398 3.157 50 0 CGAARO CCC(=O)O[C@](CC)(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000003630951 391919158 /nfs/dbraw/zinc/91/91/58/391919158.db2.gz GVNNTSYXCWHSKN-DOTOQJQBSA-N 1 0 275.392 3.197 50 0 CGAARO Fc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCSC1 ZINC000096499652 392256577 /nfs/dbraw/zinc/25/65/77/392256577.db2.gz BFIXMAVNIGKKRQ-GWCFXTLKSA-N 1 0 267.369 3.135 50 0 CGAARO Cc1ccccc1C[C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000096477858 392256625 /nfs/dbraw/zinc/25/66/25/392256625.db2.gz RCTAZDWZYHPTQR-AUUYWEPGSA-N 1 0 281.465 3.063 50 0 CGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000097312366 392261708 /nfs/dbraw/zinc/26/17/08/392261708.db2.gz WUXAOXWZYNPWBE-VYDDFXDLSA-N 1 0 298.430 3.175 50 0 CGAARO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC(N)=O)cc1 ZINC000328588587 392675967 /nfs/dbraw/zinc/67/59/67/392675967.db2.gz JKDZYZIJBQNIIF-HUUCEWRRSA-N 1 0 276.380 3.235 50 0 CGAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000190044003 392810631 /nfs/dbraw/zinc/81/06/31/392810631.db2.gz UNSVCDYBOCCCOE-KGLIPLIRSA-N 1 0 268.426 3.445 50 0 CGAARO CCOC(C)(C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000193324970 392874621 /nfs/dbraw/zinc/87/46/21/392874621.db2.gz RVNOMIKTUOWXEH-HNNXBMFYSA-N 1 0 262.397 3.338 50 0 CGAARO C[C@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCC2)C1 ZINC000216485762 392991026 /nfs/dbraw/zinc/99/10/26/392991026.db2.gz PFMSXAAVILEFNX-INIZCTEOSA-N 1 0 288.435 3.003 50 0 CGAARO C[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000237445662 393036092 /nfs/dbraw/zinc/03/60/92/393036092.db2.gz PPAXEHUQKMYAGL-RISCZKNCSA-N 1 0 280.799 3.131 50 0 CGAARO CC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670433912 543154103 /nfs/dbraw/zinc/15/41/03/543154103.db2.gz ZOPVDYUIKIVFLA-SNVBAGLBSA-N 1 0 258.287 3.332 50 0 CGAARO c1sc(C[NH2+][C@H]2CCOC2)cc1COc1ccccc1 ZINC000670472666 543157365 /nfs/dbraw/zinc/15/73/65/543157365.db2.gz LLAGLBJPOYJIAD-AWEZNQCLSA-N 1 0 289.400 3.206 50 0 CGAARO CN1CCC[N@@H+](C2CCC(c3ccccc3)CC2)CC1 ZINC000022027700 397605611 /nfs/dbraw/zinc/60/56/11/397605611.db2.gz XSDSCSFRTNUUNX-UHFFFAOYSA-N 1 0 272.436 3.350 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000093235482 287115231 /nfs/dbraw/zinc/11/52/31/287115231.db2.gz HSJSFVBBVQMMHC-AWEZNQCLSA-N 1 0 282.387 3.252 50 0 CGAARO C[NH+](C)CCCCOc1ccccc1Br ZINC000002824067 169834498 /nfs/dbraw/zinc/83/44/98/169834498.db2.gz ZWCOARNXVMYWBA-UHFFFAOYSA-N 1 0 272.186 3.170 50 0 CGAARO CC[NH+](CC)CCOCCOc1c(C)cc(C)cc1C ZINC000002896785 169842380 /nfs/dbraw/zinc/84/23/80/169842380.db2.gz AEUDCRNAZJNGNN-UHFFFAOYSA-N 1 0 279.424 3.349 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000004712163 170003598 /nfs/dbraw/zinc/00/35/98/170003598.db2.gz WSHXXAJVMARHCF-HOTGVXAUSA-N 1 0 287.451 3.024 50 0 CGAARO CC[NH+](CC)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004723926 170006089 /nfs/dbraw/zinc/00/60/89/170006089.db2.gz ZDGNCMRZZKMUPL-NSHDSACASA-N 1 0 292.206 3.075 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000004802441 170018955 /nfs/dbraw/zinc/01/89/55/170018955.db2.gz LOMXUTDFOIOUKC-LBPRGKRZSA-N 1 0 256.349 3.225 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000004988349 170049585 /nfs/dbraw/zinc/04/95/85/170049585.db2.gz WCAJFGFVCQLWJF-AWEZNQCLSA-N 1 0 263.381 3.468 50 0 CGAARO [NH3+]CCCCCc1nnc(SCc2ccc(F)cc2)o1 ZINC000005026006 170057663 /nfs/dbraw/zinc/05/76/63/170057663.db2.gz QJMPTUNWLPKBDC-UHFFFAOYSA-N 1 0 295.383 3.173 50 0 CGAARO C[N@H+](CCOC(=O)Cc1ccc(Cl)cc1)C(C)(C)C ZINC000005094294 170065876 /nfs/dbraw/zinc/06/58/76/170065876.db2.gz SJDTUYOTRDNEJZ-UHFFFAOYSA-N 1 0 283.799 3.156 50 0 CGAARO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1Cl ZINC000005229322 170077735 /nfs/dbraw/zinc/07/77/35/170077735.db2.gz XGZDUYKNWQLVDP-ZETCQYMHSA-N 1 0 280.784 3.148 50 0 CGAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+](C)C)n2c1 ZINC000005265022 170081321 /nfs/dbraw/zinc/08/13/21/170081321.db2.gz SZVGDBQDTZYEAM-UHFFFAOYSA-N 1 0 265.360 3.371 50 0 CGAARO Cc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000009910027 170389847 /nfs/dbraw/zinc/38/98/47/170389847.db2.gz HEQREUROZPMJBN-UHFFFAOYSA-N 1 0 254.333 3.402 50 0 CGAARO CC(C)c1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000012382876 170482704 /nfs/dbraw/zinc/48/27/04/170482704.db2.gz ROYKDYFEEVTKMY-UHFFFAOYSA-N 1 0 294.464 3.474 50 0 CGAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C1CCC1 ZINC000012706644 170504864 /nfs/dbraw/zinc/50/48/64/170504864.db2.gz FGYYILWSQWFIAB-LLVKDONJSA-N 1 0 268.364 3.050 50 0 CGAARO CC[C@H](C)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731600 170583104 /nfs/dbraw/zinc/58/31/04/170583104.db2.gz FHRRAHXOHNWRKS-LBPRGKRZSA-N 1 0 257.337 3.157 50 0 CGAARO COC(=O)c1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000020302760 171139379 /nfs/dbraw/zinc/13/93/79/171139379.db2.gz UFEUEUMMCYJOBA-UHFFFAOYSA-N 1 0 261.365 3.238 50 0 CGAARO CCCOc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000020593624 171263027 /nfs/dbraw/zinc/26/30/27/171263027.db2.gz DIIPUBBXMSFOSI-UHFFFAOYSA-N 1 0 263.381 3.244 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000023283473 171419136 /nfs/dbraw/zinc/41/91/36/171419136.db2.gz YIFUOJKBAHCCEK-AWEZNQCLSA-N 1 0 270.376 3.201 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000095968386 298872746 /nfs/dbraw/zinc/87/27/46/298872746.db2.gz SOMIQBUNLJYMMR-XQHKEYJVSA-N 1 0 271.470 3.310 50 0 CGAARO Cc1cccc(NC(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000037372854 173162866 /nfs/dbraw/zinc/16/28/66/173162866.db2.gz WXFORYBYXLAHIH-UHFFFAOYSA-N 1 0 281.359 3.285 50 0 CGAARO CCc1ccccc1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000040103447 174190654 /nfs/dbraw/zinc/19/06/54/174190654.db2.gz HEVQDYACKQRDFH-CYBMUJFWSA-N 1 0 277.412 3.101 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000040615105 174353725 /nfs/dbraw/zinc/35/37/25/174353725.db2.gz GPEZGOGCIQZWGM-INIZCTEOSA-N 1 0 276.424 3.232 50 0 CGAARO C[N@H+](Cc1nc(-c2cccs2)no1)C1CCCC1 ZINC000044890641 175272850 /nfs/dbraw/zinc/27/28/50/175272850.db2.gz BPIPIRVDBNJXEZ-UHFFFAOYSA-N 1 0 263.366 3.173 50 0 CGAARO C[N@@H+]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000071375719 176140142 /nfs/dbraw/zinc/14/01/42/176140142.db2.gz HLZWJDHGAIUOEQ-VIFPVBQESA-N 1 0 287.190 3.274 50 0 CGAARO C[NH+]1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000071384702 176147248 /nfs/dbraw/zinc/14/72/48/176147248.db2.gz AZNFTMVLRYUJCP-UHFFFAOYSA-N 1 0 268.360 3.120 50 0 CGAARO [NH3+][C@@H](CCC(=O)N1CCCCCCC1)c1ccccc1 ZINC000071400250 176152576 /nfs/dbraw/zinc/15/25/76/176152576.db2.gz RENUHMBJGRUABN-INIZCTEOSA-N 1 0 274.408 3.259 50 0 CGAARO CC(C)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071499063 176192112 /nfs/dbraw/zinc/19/21/12/176192112.db2.gz IARUBDLNVSGERK-INIZCTEOSA-N 1 0 269.392 3.454 50 0 CGAARO Cc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(=O)[nH]1 ZINC000072162427 176330184 /nfs/dbraw/zinc/33/01/84/176330184.db2.gz PHCOWWWDDJBPFV-AWEZNQCLSA-N 1 0 287.407 3.026 50 0 CGAARO c1ccc(CC[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299969 176364640 /nfs/dbraw/zinc/36/46/40/176364640.db2.gz FYYYPNHUVQOVSP-INIZCTEOSA-N 1 0 297.402 3.369 50 0 CGAARO C[N@@H+]1CCC[C@@H](Cc2cccc(Br)n2)CC1 ZINC000072343817 176371941 /nfs/dbraw/zinc/37/19/41/176371941.db2.gz CSVYXRDUGFGVCF-LLVKDONJSA-N 1 0 283.213 3.119 50 0 CGAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077303819 177250403 /nfs/dbraw/zinc/25/04/03/177250403.db2.gz FMVJXBOFGPOWEK-KRWDZBQOSA-N 1 0 281.403 3.040 50 0 CGAARO Cc1csc(N2CCC([C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000077355826 177256112 /nfs/dbraw/zinc/25/61/12/177256112.db2.gz NTJXILGYSYMGPI-ZDUSSCGKSA-N 1 0 279.453 3.152 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)[nH]n1 ZINC000685939592 544109878 /nfs/dbraw/zinc/10/98/78/544109878.db2.gz UHYRDCILNLILQG-UKRRQHHQSA-N 1 0 270.380 3.054 50 0 CGAARO CC(C)C[NH+]1CCC(N[C@@H]2CCc3c2cccc3O)CC1 ZINC000095421933 273510960 /nfs/dbraw/zinc/51/09/60/273510960.db2.gz OPHFZYNZMJOWHF-QGZVFWFLSA-N 1 0 288.435 3.090 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000005253860 274384228 /nfs/dbraw/zinc/38/42/28/274384228.db2.gz MOCMHAKOWJIMEH-VXGBXAGGSA-N 1 0 288.366 3.468 50 0 CGAARO Clc1cccc(Cl)c1CSC1=[NH+]CCN1 ZINC000001994445 274883908 /nfs/dbraw/zinc/88/39/08/274883908.db2.gz ULPIQKYUUXNMKF-UHFFFAOYSA-N 1 0 261.177 3.186 50 0 CGAARO [NH3+]Cc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000020285940 274953898 /nfs/dbraw/zinc/95/38/98/274953898.db2.gz FAHVNDHVCZSKTN-UHFFFAOYSA-N 1 0 263.344 3.057 50 0 CGAARO Brc1ccc2c(c1)CN1CCCC1=[NH+]2 ZINC000000518390 276767864 /nfs/dbraw/zinc/76/78/64/276767864.db2.gz IXRIYMMZXPUXNJ-UHFFFAOYSA-N 1 0 251.127 3.089 50 0 biogenic CGAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC000005722080 277394321 /nfs/dbraw/zinc/39/43/21/277394321.db2.gz QEQPVXMSEFTRIW-DOMZBBRYSA-N 1 0 275.392 3.251 50 0 CGAARO CSCC[N@H+](C)Cc1c(C)ccc2ncccc21 ZINC000215839762 278129769 /nfs/dbraw/zinc/12/97/69/278129769.db2.gz KGRUHHMAKYNXAJ-UHFFFAOYSA-N 1 0 260.406 3.338 50 0 CGAARO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000095421177 278302155 /nfs/dbraw/zinc/30/21/55/278302155.db2.gz KBJTZDYXEUUTAZ-QWRGUYRKSA-N 1 0 298.312 3.036 50 0 CGAARO CC1(C)C[N@H+](CCc2ncc[nH]2)C[C@H]1c1ccccc1 ZINC000426434395 278333925 /nfs/dbraw/zinc/33/39/25/278333925.db2.gz ATXDYDSIAPOTCK-HNNXBMFYSA-N 1 0 269.392 3.078 50 0 CGAARO CCCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580691 278659488 /nfs/dbraw/zinc/65/94/88/278659488.db2.gz CQXYEGRMFLLECP-CYBMUJFWSA-N 1 0 280.437 3.191 50 0 CGAARO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098285 280201294 /nfs/dbraw/zinc/20/12/94/280201294.db2.gz YQPIAKQPMGGKIU-GOSISDBHSA-N 1 0 299.414 3.468 50 0 CGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CCCC1 ZINC000043604329 281128276 /nfs/dbraw/zinc/12/82/76/281128276.db2.gz PLXBGSAVISPBTP-SJLPKXTDSA-N 1 0 298.430 3.320 50 0 CGAARO Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000001684128 281207106 /nfs/dbraw/zinc/20/71/06/281207106.db2.gz XDMDDWLZIDCNEQ-AWEZNQCLSA-N 1 0 260.381 3.116 50 0 CGAARO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000252493628 281285551 /nfs/dbraw/zinc/28/55/51/281285551.db2.gz NEURMEGUEHENPW-UKPHBRMFSA-N 1 0 275.392 3.366 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)CCC2)o1 ZINC000175870020 327681108 /nfs/dbraw/zinc/68/11/08/327681108.db2.gz VWILNAGPKQTCAC-UHFFFAOYSA-N 1 0 259.353 3.258 50 0 CGAARO Clc1ccc(CC2([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000534583300 328312605 /nfs/dbraw/zinc/31/26/05/328312605.db2.gz QRDSDIASKPAZQO-CQSZACIVSA-N 1 0 265.784 3.184 50 0 CGAARO C[C@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+]1CCCC1 ZINC000534649280 328343826 /nfs/dbraw/zinc/34/38/26/328343826.db2.gz CTUWVRKTNRYTDQ-CQSZACIVSA-N 1 0 282.387 3.398 50 0 CGAARO CC[C@H]([NH2+]C1CSCCSC1)c1nccs1 ZINC000534662721 328350655 /nfs/dbraw/zinc/35/06/55/328350655.db2.gz DJCOXCZHUQVOGI-JTQLQIEISA-N 1 0 274.480 3.032 50 0 CGAARO [NH3+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000037381671 333246403 /nfs/dbraw/zinc/24/64/03/333246403.db2.gz NNWBUTIRYORUSD-SECBINFHSA-N 1 0 258.184 3.335 50 0 CGAARO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000248149908 334295986 /nfs/dbraw/zinc/29/59/86/334295986.db2.gz SYPUBBORRYKBCW-IRXDYDNUSA-N 1 0 265.356 3.215 50 0 CGAARO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573444 336056334 /nfs/dbraw/zinc/05/63/34/336056334.db2.gz QMAFHXULSZVICC-IPYPFGDCSA-N 1 0 265.372 3.022 50 0 CGAARO COC(=O)CCCCCCCC[C@@H](O)C[NH+]1CCCCC1 ZINC000004310769 522984302 /nfs/dbraw/zinc/98/43/02/522984302.db2.gz POKFWCMCOYWRBE-MRXNPFEDSA-N 1 0 299.455 3.127 50 0 CGAARO CC[NH+](CC)CCN[C@H](C)c1ccc(Br)o1 ZINC000131613101 528138170 /nfs/dbraw/zinc/13/81/70/528138170.db2.gz ZRVFHTNSPFINGB-SNVBAGLBSA-N 1 0 289.217 3.035 50 0 CGAARO CC[C@@H]([NH2+]Cc1nnc(C)o1)C(C)(C)c1ccccc1 ZINC000096493178 529191161 /nfs/dbraw/zinc/19/11/61/529191161.db2.gz UUPVAUOIPXSBDR-CQSZACIVSA-N 1 0 273.380 3.224 50 0 CGAARO Cc1cc(C)n(CC2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000084104609 570334876 /nfs/dbraw/zinc/33/48/76/570334876.db2.gz NDBYZZSSVMMSMR-MRXNPFEDSA-N 1 0 298.434 3.368 50 0 CGAARO Fc1ccccc1CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000032891449 570410046 /nfs/dbraw/zinc/41/00/46/570410046.db2.gz XDYZEABABGMQGS-STQMWFEESA-N 1 0 264.369 3.329 50 0 CGAARO CCOc1ccc(C[N@H+](C)[C@H](CC)c2cccnc2)cn1 ZINC000952971832 615510247 /nfs/dbraw/zinc/51/02/47/615510247.db2.gz VQQFBQUQAGHRCZ-MRXNPFEDSA-N 1 0 285.391 3.458 50 0 CGAARO CC[C@@H]1C=CC[N@@H+]1C1CCN(c2cccc(OC)c2)CC1 ZINC000952973004 615551161 /nfs/dbraw/zinc/55/11/61/615551161.db2.gz FGKITYXNBKHVIR-OAHLLOKOSA-N 1 0 286.419 3.314 50 0 CGAARO Cc1cc(C)c(OCCCCCC[NH2+]CCO)c(C)c1 ZINC000002898661 618651853 /nfs/dbraw/zinc/65/18/53/618651853.db2.gz LNQUTSYCLSSUOH-UHFFFAOYSA-N 1 0 279.424 3.133 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)/C=C/c1ccccn1 ZINC000888098183 619260179 /nfs/dbraw/zinc/26/01/79/619260179.db2.gz CLZYTUVDQNIGJG-XUIVZRPNSA-N 1 0 259.378 3.038 50 0 CGAARO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000952974738 636775971 /nfs/dbraw/zinc/77/59/71/636775971.db2.gz BZJWYIGSPQCARB-INIZCTEOSA-N 1 0 288.435 3.357 50 0 CGAARO Cc1cc2cc(NC(=O)C[NH+]3CCC(C)CC3)ccc2o1 ZINC000952991109 636777713 /nfs/dbraw/zinc/77/77/13/636777713.db2.gz YDZVGWCLHUHUIG-UHFFFAOYSA-N 1 0 286.375 3.412 50 0 CGAARO C[C@@](CO)(C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000585083641 799676203 /nfs/dbraw/zinc/67/62/03/799676203.db2.gz VEFPKMICFBFMDN-KRWDZBQOSA-N 1 0 261.409 3.107 50 0 CGAARO c1c(C2CC2)nnn1[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000585133683 799678988 /nfs/dbraw/zinc/67/89/88/799678988.db2.gz QNVMBEHWXYFLMX-QGZVFWFLSA-N 1 0 296.418 3.035 50 0 CGAARO CCn1cc(C[N@H+](C)Cc2cccc3cc[nH]c32)c(C)n1 ZINC000823592557 800468091 /nfs/dbraw/zinc/46/80/91/800468091.db2.gz PABWUGCILBTFQK-UHFFFAOYSA-N 1 0 282.391 3.325 50 0 CGAARO C[C@H](NC(=O)CCC[NH+]1CCCCC1)c1cccs1 ZINC000828000446 800480414 /nfs/dbraw/zinc/48/04/14/800480414.db2.gz GVMPJBQOGPOUTM-ZDUSSCGKSA-N 1 0 280.437 3.191 50 0 CGAARO c1cc2cc(-c3ccc4c(c3)C3(CC3)C[NH2+]C4)cnc2[nH]1 ZINC000952848430 800684595 /nfs/dbraw/zinc/68/45/95/800684595.db2.gz FURCPOKRDOCNBG-UHFFFAOYSA-N 1 0 275.355 3.316 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001506398729 937989514 /nfs/dbraw/zinc/98/95/14/937989514.db2.gz FQUUHOGHGCGXSC-HNNXBMFYSA-N 1 0 283.419 3.421 50 0 CGAARO O=C1CC[C@H]([N@@H+]2CCC3(CCCC3)C2)CCN1CC1CC1 ZINC001506398997 937989649 /nfs/dbraw/zinc/98/96/49/937989649.db2.gz VKLUDNPRJYVMOO-INIZCTEOSA-N 1 0 290.451 3.044 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C/C=C/c2ccccc2)n1 ZINC001506409510 937989757 /nfs/dbraw/zinc/98/97/57/937989757.db2.gz IIZGDYUSQLUUTK-JOZWUWCOSA-N 1 0 269.392 3.191 50 0 CGAARO Cc1nnc(NC[C@@H](C(C)C)[NH+]2CCCC2)c2ccccc12 ZINC001506418946 937989865 /nfs/dbraw/zinc/98/98/65/937989865.db2.gz KZBLMLBEMKDVDA-KRWDZBQOSA-N 1 0 298.434 3.471 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2(Cc3ccccc3)CC2)n1 ZINC001506427237 937990081 /nfs/dbraw/zinc/99/00/81/937990081.db2.gz VPLHJSFIJRWEQN-OAHLLOKOSA-N 1 0 283.419 3.253 50 0 CGAARO Cc1cnc(CC[NH2+][C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000096478455 230379982 /nfs/dbraw/zinc/37/99/82/230379982.db2.gz OJCOCVAIHRFMEH-LLVKDONJSA-N 1 0 290.388 3.074 50 0 CGAARO CSCCC[N@@H+]1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095509004 185000751 /nfs/dbraw/zinc/00/07/51/185000751.db2.gz HMLNDPBPYWAROF-UHFFFAOYSA-N 1 0 287.432 3.188 50 0 CGAARO Cc1ccc2ccccc2c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000095518872 185002732 /nfs/dbraw/zinc/00/27/32/185002732.db2.gz AHNBOCAIKASENW-OAHLLOKOSA-N 1 0 297.402 3.316 50 0 CGAARO CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000095956301 185042307 /nfs/dbraw/zinc/04/23/07/185042307.db2.gz KTYGVNYCGCHVMC-MRXNPFEDSA-N 1 0 286.350 3.269 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@H](C)CSC)c(OC)c1 ZINC000095968191 185046884 /nfs/dbraw/zinc/04/68/84/185046884.db2.gz STDBGURJCRFXRA-MNOVXSKESA-N 1 0 269.410 3.106 50 0 CGAARO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ncc(C)s1 ZINC000095969005 185048116 /nfs/dbraw/zinc/04/81/16/185048116.db2.gz PFVNGQUHKHSHBC-UKRRQHHQSA-N 1 0 290.432 3.360 50 0 CGAARO COc1ccccc1OC[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000095987603 185056956 /nfs/dbraw/zinc/05/69/56/185056956.db2.gz OJYPVIJEDFAYFR-BFHYXJOUSA-N 1 0 293.407 3.008 50 0 CGAARO C[C@H]1OCC[C@H]1[NH2+]Cc1ccnc(SC(C)(C)C)c1 ZINC000095995901 185060017 /nfs/dbraw/zinc/06/00/17/185060017.db2.gz PTRKUSKIWZERIP-DGCLKSJQSA-N 1 0 280.437 3.239 50 0 CGAARO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1nc(C)cs1 ZINC000096013869 185065283 /nfs/dbraw/zinc/06/52/83/185065283.db2.gz HAFWHHMOKBDBLB-KGLIPLIRSA-N 1 0 294.395 3.365 50 0 CGAARO C[C@H](c1cccc(-c2nccn2C)c1)[NH+]1CCCC1 ZINC000096138869 185105915 /nfs/dbraw/zinc/10/59/15/185105915.db2.gz OHUWFGIMADEFNL-CYBMUJFWSA-N 1 0 255.365 3.244 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000004005649 344859636 /nfs/dbraw/zinc/85/96/36/344859636.db2.gz RJBPGPJRMXKQEX-JJRVBVJISA-N 1 0 275.392 3.195 50 0 CGAARO Cn1c([C@H]2CC[N@H+](CC3CCCCC3)C2)nc2cccnc21 ZINC000065285309 345270579 /nfs/dbraw/zinc/27/05/79/345270579.db2.gz ASHNKHAPKFBDAB-HNNXBMFYSA-N 1 0 298.434 3.338 50 0 CGAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2C/C=C/c2ccccc2)n1 ZINC000069491619 345381274 /nfs/dbraw/zinc/38/12/74/345381274.db2.gz PNJVWDDKLDQGLA-WGLAMXGCSA-N 1 0 296.418 3.073 50 0 CGAARO Cc1occc1C(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000072281691 345408334 /nfs/dbraw/zinc/40/83/34/345408334.db2.gz MBERYIXRRUTREM-UHFFFAOYSA-N 1 0 285.347 3.226 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(OC)c1 ZINC000072298449 345408619 /nfs/dbraw/zinc/40/86/19/345408619.db2.gz MBYAMKKKLUTHRM-MRXNPFEDSA-N 1 0 285.391 3.079 50 0 CGAARO CSC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072682592 345415884 /nfs/dbraw/zinc/41/58/84/345415884.db2.gz ZVHHRGDITHWELF-AWEZNQCLSA-N 1 0 292.448 3.009 50 0 CGAARO CC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC ZINC000076066855 345532422 /nfs/dbraw/zinc/53/24/22/345532422.db2.gz WGKLLQXRKXICDK-RDJZCZTQSA-N 1 0 288.435 3.156 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000089895753 345776679 /nfs/dbraw/zinc/77/66/79/345776679.db2.gz OFJRYXXVFYPYQM-CABCVRRESA-N 1 0 298.434 3.286 50 0 CGAARO C[NH+](C)CCOC(=O)NC1(c2ccccc2)CCCCC1 ZINC000096026978 345902024 /nfs/dbraw/zinc/90/20/24/345902024.db2.gz MJTQGCVXSNQCKS-UHFFFAOYSA-N 1 0 290.407 3.134 50 0 CGAARO OCCCC[NH+]1CCC(c2ccccc2Cl)CC1 ZINC000096026587 345902052 /nfs/dbraw/zinc/90/20/52/345902052.db2.gz XRUWUNRPTDAEED-UHFFFAOYSA-N 1 0 267.800 3.292 50 0 CGAARO C[C@H]([NH2+]CCC1OCCO1)c1cc2cc(Cl)ccc2o1 ZINC000126920899 346027939 /nfs/dbraw/zinc/02/79/39/346027939.db2.gz FDJSGMYYFABTPR-JTQLQIEISA-N 1 0 295.766 3.500 50 0 CGAARO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000134719678 346084175 /nfs/dbraw/zinc/08/41/75/346084175.db2.gz NLUYFOAOKMAEJI-HLLBOEOZSA-N 1 0 294.483 3.438 50 0 CGAARO C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000170088999 346193367 /nfs/dbraw/zinc/19/33/67/346193367.db2.gz RUVHGKCFPYNAQS-SFHVURJKSA-N 1 0 289.419 3.355 50 0 CGAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+]CC1CCC(C)CC1 ZINC000170591153 346193926 /nfs/dbraw/zinc/19/39/26/346193926.db2.gz DTHXYFOFIHKZSV-NEXFUWMNSA-N 1 0 271.470 3.049 50 0 CGAARO C[C@H](C[N@H+](C)C1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000170603039 346195104 /nfs/dbraw/zinc/19/51/04/346195104.db2.gz XXXIFMWHXAEAGL-CMQUCMFRSA-N 1 0 299.867 3.286 50 0 CGAARO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(N)n1 ZINC000170616825 346195701 /nfs/dbraw/zinc/19/57/01/346195701.db2.gz ZAVDLVJMMQUMEG-CQSZACIVSA-N 1 0 281.403 3.465 50 0 CGAARO c1cn(C[C@H]2CCC[N@@H+]2Cc2coc3ccccc23)cn1 ZINC000188401596 346262036 /nfs/dbraw/zinc/26/20/36/346262036.db2.gz QLGBKBAQZLCVCL-OAHLLOKOSA-N 1 0 281.359 3.294 50 0 CGAARO CC(C)Nc1cc(-c2ccccc2C[NH+](C)C)ncn1 ZINC000097696201 185653838 /nfs/dbraw/zinc/65/38/38/185653838.db2.gz CQHHHXCXXAVQGU-UHFFFAOYSA-N 1 0 270.380 3.026 50 0 CGAARO CSc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000097773139 185666318 /nfs/dbraw/zinc/66/63/18/185666318.db2.gz SZNAWEJCEJJQJL-HNNXBMFYSA-N 1 0 276.449 3.079 50 0 CGAARO Clc1ccccc1-c1nc2c(s1)C[NH2+]CC2 ZINC000011568406 282536080 /nfs/dbraw/zinc/53/60/80/282536080.db2.gz PQNFPLYNISMMRP-UHFFFAOYSA-N 1 0 250.754 3.109 50 0 CGAARO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090725478 180032689 /nfs/dbraw/zinc/03/26/89/180032689.db2.gz GWEGWPHTQHABPT-QWRGUYRKSA-N 1 0 266.410 3.047 50 0 CGAARO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090725476 180032821 /nfs/dbraw/zinc/03/28/21/180032821.db2.gz MZECFSQOFSRDDI-QWHCGFSZSA-N 1 0 275.421 3.274 50 0 CGAARO C1CCC(O[C@@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)C1 ZINC000090916371 180062756 /nfs/dbraw/zinc/06/27/56/180062756.db2.gz SVZIKETWMVESNT-JKSUJKDBSA-N 1 0 267.413 3.025 50 0 CGAARO CCOc1ccc(C2=CC[N@H+](CCC(C)=O)CC2)cc1 ZINC000091811039 180261892 /nfs/dbraw/zinc/26/18/92/180261892.db2.gz PYYMYGWCUZHOQV-UHFFFAOYSA-N 1 0 273.376 3.154 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000106547615 186126690 /nfs/dbraw/zinc/12/66/90/186126690.db2.gz KUIZPLFGTOOLPY-UKRRQHHQSA-N 1 0 298.390 3.286 50 0 CGAARO C[N@H+](Cc1cccc(OC2CCCC2)c1)CC1(C)COC1 ZINC000628423424 350534682 /nfs/dbraw/zinc/53/46/82/350534682.db2.gz UBGSZIOIIFFQIQ-UHFFFAOYSA-N 1 0 289.419 3.476 50 0 CGAARO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccsc1 ZINC000178254963 189101065 /nfs/dbraw/zinc/10/10/65/189101065.db2.gz SXNJJTXPHLSVQA-ZDUSSCGKSA-N 1 0 288.416 3.105 50 0 CGAARO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)s1 ZINC000299803150 200881447 /nfs/dbraw/zinc/88/14/47/200881447.db2.gz YIAWKODBUIVVKE-LLVKDONJSA-N 1 0 291.347 3.019 50 0 CGAARO CC1([NH2+]Cc2cccc3ccccc32)CCOCC1 ZINC000183867980 189369756 /nfs/dbraw/zinc/36/97/56/189369756.db2.gz BKHZFATVPQWIBT-UHFFFAOYSA-N 1 0 255.361 3.499 50 0 CGAARO Clc1ccc([C@H]2[NH2+]CCn3cccc32)cc1Cl ZINC000055421500 294108004 /nfs/dbraw/zinc/10/80/04/294108004.db2.gz FUGIJWFKGCLRAJ-CYBMUJFWSA-N 1 0 267.159 3.488 50 0 CGAARO Clc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000215170965 189691787 /nfs/dbraw/zinc/69/17/87/189691787.db2.gz YDAJEPUNEFELOT-MRXNPFEDSA-N 1 0 278.827 3.400 50 0 CGAARO Fc1ccc(/C=C/CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000215217110 189692169 /nfs/dbraw/zinc/69/21/69/189692169.db2.gz PWCKBPVUZORZDS-SHCNBLLESA-N 1 0 288.410 3.399 50 0 CGAARO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000000220570 368318426 /nfs/dbraw/zinc/31/84/26/368318426.db2.gz SJINWKBTSYPSBC-STQMWFEESA-N 1 0 263.381 3.182 50 0 CGAARO O[C@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000000217140 368318555 /nfs/dbraw/zinc/31/85/55/368318555.db2.gz RZAPAQOHBAZZPF-SFHVURJKSA-N 1 0 281.399 3.275 50 0 CGAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1Cc2ccccc2C1 ZINC000000221247 368318799 /nfs/dbraw/zinc/31/87/99/368318799.db2.gz MWSWVLXPCGNKDB-ZDUSSCGKSA-N 1 0 261.409 3.073 50 0 CGAARO c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243825 368322710 /nfs/dbraw/zinc/32/27/10/368322710.db2.gz NTYOWZTVTNNSJW-UHFFFAOYSA-N 1 0 258.409 3.137 50 0 CGAARO Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000000256788 368326001 /nfs/dbraw/zinc/32/60/01/368326001.db2.gz CNBFEFLOBYVRIK-UHFFFAOYSA-N 1 0 294.398 3.382 50 0 CGAARO C[N@H+](CCCc1ccccc1)CCc1ccccn1 ZINC000000279118 368332393 /nfs/dbraw/zinc/33/23/93/368332393.db2.gz DIZJDPABAYVDDA-UHFFFAOYSA-N 1 0 254.377 3.189 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1ccccc1 ZINC000002034887 368444596 /nfs/dbraw/zinc/44/45/96/368444596.db2.gz YQKAVWCGQQXBGW-AWEZNQCLSA-N 1 0 261.365 3.108 50 0 in-man CGAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)c1ccccc1 ZINC000002756173 368475264 /nfs/dbraw/zinc/47/52/64/368475264.db2.gz DDTCBXVTEDGSHI-MRXNPFEDSA-N 1 0 276.424 3.028 50 0 CGAARO Cc1ccc(CSc2nnc(CCCCC[NH3+])o2)cc1 ZINC000002376255 368453540 /nfs/dbraw/zinc/45/35/40/368453540.db2.gz VGEIWOGHDBNEMR-UHFFFAOYSA-N 1 0 291.420 3.342 50 0 CGAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccccc1F ZINC000002514909 368458854 /nfs/dbraw/zinc/45/88/54/368458854.db2.gz DSZFQVTUWDNNAW-UHFFFAOYSA-N 1 0 281.330 3.429 50 0 CGAARO Brc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000002554111 368463124 /nfs/dbraw/zinc/46/31/24/368463124.db2.gz MROSEZSUZSPFMX-UHFFFAOYSA-N 1 0 266.138 3.332 50 0 CGAARO COc1cccc(OC)c1OCCCC[NH2+]C(C)(C)C ZINC000002932150 368485649 /nfs/dbraw/zinc/48/56/49/368485649.db2.gz VZZSBZOEWUWQOW-UHFFFAOYSA-N 1 0 281.396 3.251 50 0 CGAARO CCCC[NH2+]CCOCCOc1cccc(CC)c1 ZINC000003000589 368488550 /nfs/dbraw/zinc/48/85/50/368488550.db2.gz WHYIYAXIVDZLLQ-UHFFFAOYSA-N 1 0 265.397 3.034 50 0 CGAARO Cc1ccccc1[C@H](O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004041208 368528492 /nfs/dbraw/zinc/52/84/92/368528492.db2.gz WGPGSJOMQMMLEB-CGTJXYLNSA-N 1 0 289.419 3.267 50 0 biogenic CGAARO FCCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004038061 368528862 /nfs/dbraw/zinc/52/88/62/368528862.db2.gz XSSSOFYIZNMDPH-UHFFFAOYSA-N 1 0 251.345 3.411 50 0 CGAARO CCCC[C@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000004105173 368530959 /nfs/dbraw/zinc/53/09/59/368530959.db2.gz FVILKFPVOGFNJH-KRWDZBQOSA-N 1 0 261.409 3.417 50 0 CGAARO O=C(Nc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000003622397 368516566 /nfs/dbraw/zinc/51/65/66/368516566.db2.gz RKROQEVUVQKKGT-QGZVFWFLSA-N 1 0 295.386 3.083 50 0 CGAARO COc1cc([C@@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000003705647 368517843 /nfs/dbraw/zinc/51/78/43/368517843.db2.gz UEDWXGBJKWDINU-GFCCVEGCSA-N 1 0 257.333 3.294 50 0 CGAARO CC(C)[N@H+](C)CCOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004680629 368556794 /nfs/dbraw/zinc/55/67/94/368556794.db2.gz ZZBGIYWYBWCKLA-UHFFFAOYSA-N 1 0 277.408 3.481 50 0 CGAARO Fc1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000004262928 368538980 /nfs/dbraw/zinc/53/89/80/368538980.db2.gz ILBVCQYULNCSBS-UHFFFAOYSA-N 1 0 267.307 3.022 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000010384172 368581175 /nfs/dbraw/zinc/58/11/75/368581175.db2.gz XSNYLZBFIFXSNR-DOTOQJQBSA-N 1 0 285.387 3.086 50 0 CGAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012383520 368610204 /nfs/dbraw/zinc/61/02/04/368610204.db2.gz UUEYHIHEEIWFDK-SNVBAGLBSA-N 1 0 299.292 3.436 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH2+]C1CCCC1 ZINC000012438642 368613089 /nfs/dbraw/zinc/61/30/89/368613089.db2.gz NNSJFMSDVCESAL-SPUZQDLCSA-N 1 0 297.483 3.357 50 0 CGAARO C[NH2+][C@H](C)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012505226 368615010 /nfs/dbraw/zinc/61/50/10/368615010.db2.gz ULWIJXBTSGBXFE-GFCCVEGCSA-N 1 0 251.333 3.306 50 0 CGAARO CCc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000013322827 368649562 /nfs/dbraw/zinc/64/95/62/368649562.db2.gz GDPOBOVJGUGEFN-UHFFFAOYSA-N 1 0 260.381 3.064 50 0 CGAARO CCCCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000016580701 368716299 /nfs/dbraw/zinc/71/62/99/368716299.db2.gz WDKXERNZAGFNQS-UHFFFAOYSA-N 1 0 288.435 3.245 50 0 CGAARO Cc1cccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c1 ZINC000016607169 368717534 /nfs/dbraw/zinc/71/75/34/368717534.db2.gz DPKYAUUUROVOSA-UHFFFAOYSA-N 1 0 288.435 3.122 50 0 CGAARO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+](C)C)cc1Cl ZINC000013965081 368671179 /nfs/dbraw/zinc/67/11/79/368671179.db2.gz BMSBDZJSFBDHLL-AWEZNQCLSA-N 1 0 297.830 3.356 50 0 CGAARO c1ccc(Cc2ccccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632149 368684402 /nfs/dbraw/zinc/68/44/02/368684402.db2.gz VHOYBFRUGXGYHH-MRXNPFEDSA-N 1 0 253.345 3.018 50 0 CGAARO CC[NH+](CC)CCN(C)CC[C@@H](C)c1ccccc1 ZINC000019634224 368758494 /nfs/dbraw/zinc/75/84/94/368758494.db2.gz KFAIMIHEEPEODQ-MRXNPFEDSA-N 1 0 262.441 3.454 50 0 CGAARO Cc1cccc(C)c1OCC[NH2+]Cc1ccccc1 ZINC000019737830 368763349 /nfs/dbraw/zinc/76/33/49/368763349.db2.gz ZSLCEAIUVQVPSO-UHFFFAOYSA-N 1 0 255.361 3.472 50 0 CGAARO Cc1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000019789383 368765982 /nfs/dbraw/zinc/76/59/82/368765982.db2.gz WQCQTBZXCZECIR-SFHVURJKSA-N 1 0 284.447 3.469 50 0 CGAARO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000019259348 368747096 /nfs/dbraw/zinc/74/70/96/368747096.db2.gz RIGUJORUUQXWDS-LLVKDONJSA-N 1 0 255.321 3.350 50 0 CGAARO C[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000019359716 368750047 /nfs/dbraw/zinc/75/00/47/368750047.db2.gz GRECSEGRAXDXTR-UHFFFAOYSA-N 1 0 296.414 3.013 50 0 CGAARO CCC1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000023280843 368819701 /nfs/dbraw/zinc/81/97/01/368819701.db2.gz AECVUUSAWFZGMF-UHFFFAOYSA-N 1 0 261.409 3.450 50 0 CGAARO CC(C)c1cc(NC(=O)C[N@H+](C)CC2CCCCC2)on1 ZINC000029523769 368896996 /nfs/dbraw/zinc/89/69/96/368896996.db2.gz LSNDKPHNPXIPQJ-UHFFFAOYSA-N 1 0 293.411 3.249 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C)c(C)c1 ZINC000032581846 368936625 /nfs/dbraw/zinc/93/66/25/368936625.db2.gz OCBSYVLVUYVYTD-CABCVRRESA-N 1 0 279.424 3.067 50 0 CGAARO c1cnc2c(c1)cccc2OCC[C@@H]1CCCC[NH2+]1 ZINC000042773405 369232433 /nfs/dbraw/zinc/23/24/33/369232433.db2.gz BYGLIGZZDARNQD-AWEZNQCLSA-N 1 0 256.349 3.146 50 0 CGAARO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774787 369232631 /nfs/dbraw/zinc/23/26/31/369232631.db2.gz BYJMBVBXIKFYMY-LLVKDONJSA-N 1 0 298.224 3.487 50 0 CGAARO CC(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770793 369230458 /nfs/dbraw/zinc/23/04/58/369230458.db2.gz AJLYFAJGOKXRCR-NSHDSACASA-N 1 0 253.773 3.452 50 0 CGAARO Clc1ccc(COC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042771832 369230881 /nfs/dbraw/zinc/23/08/81/369230881.db2.gz QGUNWYMHYOIANP-SECBINFHSA-N 1 0 260.164 3.120 50 0 CGAARO CCc1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774387 369231900 /nfs/dbraw/zinc/23/19/00/369231900.db2.gz GQTZSRIZWTVMNR-NSHDSACASA-N 1 0 298.224 3.390 50 0 CGAARO CCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048344936 369342908 /nfs/dbraw/zinc/34/29/08/369342908.db2.gz FPYTWGPOSIZYAC-GASCZTMLSA-N 1 0 288.435 3.191 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000051159016 369446807 /nfs/dbraw/zinc/44/68/07/369446807.db2.gz XVKPMZYPRFFFBI-TXEJJXNPSA-N 1 0 288.420 3.078 50 0 CGAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000053814074 369489776 /nfs/dbraw/zinc/48/97/76/369489776.db2.gz 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/nfs/dbraw/zinc/56/32/74/169563274.db2.gz NVRCYCNSEDFZIP-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO c1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc2c1OCO2 ZINC000004030893 184529688 /nfs/dbraw/zinc/52/96/88/184529688.db2.gz LYIPGBDYQYFMKE-UHFFFAOYSA-N 1 0 285.387 3.474 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)c3cccnc3)C2)[nH]n1 ZINC000257366272 542354413 /nfs/dbraw/zinc/35/44/13/542354413.db2.gz QDXQPMPUZOURIP-UKRRQHHQSA-N 1 0 270.380 3.054 50 0 CGAARO C[C@@H]1C[C@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)CCO1 ZINC000281698383 195342315 /nfs/dbraw/zinc/34/23/15/195342315.db2.gz SOSFAGSMJRHMOJ-BXUZGUMPSA-N 1 0 282.815 3.381 50 0 CGAARO O[C@H]1CC[N@H+](Cc2ccccc2-c2ccc(F)cc2)C1 ZINC000023398731 285366443 /nfs/dbraw/zinc/36/64/43/285366443.db2.gz HICKXAAYVROJED-INIZCTEOSA-N 1 0 271.335 3.059 50 0 CGAARO C[C@@H]([NH2+]Cc1ccncc1F)[C@H](c1ccccc1)N(C)C ZINC000449251954 533465002 /nfs/dbraw/zinc/46/50/02/533465002.db2.gz SWWDTVMCMMLUSP-CXAGYDPISA-N 1 0 287.382 3.002 50 0 CGAARO COc1ccc(C[NH2+]CC[C@@H]2CCOC(C)(C)C2)cc1 ZINC000001787446 533663200 /nfs/dbraw/zinc/66/32/00/533663200.db2.gz LGVHUYKGQMFWRQ-CQSZACIVSA-N 1 0 277.408 3.380 50 0 biogenic CGAARO CCOC(=O)N1CC[NH+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000000757879 391910546 /nfs/dbraw/zinc/91/05/46/391910546.db2.gz QHEBWXYWJAOOHD-UHFFFAOYSA-N 1 0 296.455 3.365 50 0 CGAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000012420148 391929702 /nfs/dbraw/zinc/92/97/02/391929702.db2.gz QHXYVRKJNRBOAZ-DOTOQJQBSA-N 1 0 299.414 3.481 50 0 CGAARO CC(C)C[NH2+]C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000012420093 391930123 /nfs/dbraw/zinc/93/01/23/391930123.db2.gz RIULEDKMOKRDPC-QGZVFWFLSA-N 1 0 299.414 3.339 50 0 CGAARO CC(C)CC[N@H+](CC(=O)Nc1cccnc1Cl)C1CC1 ZINC000027110872 391951440 /nfs/dbraw/zinc/95/14/40/391951440.db2.gz OZXLJHHDEVBHTQ-UHFFFAOYSA-N 1 0 295.814 3.184 50 0 CGAARO c1ccc(C[C@@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000058162716 392112794 /nfs/dbraw/zinc/11/27/94/392112794.db2.gz JDJZWRGHXACZRM-HNNXBMFYSA-N 1 0 283.375 3.154 50 0 CGAARO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnc3cnccn23)s1 ZINC000093102686 392236159 /nfs/dbraw/zinc/23/61/59/392236159.db2.gz VRJBFJUDSAELDK-CQSZACIVSA-N 1 0 298.415 3.436 50 0 CGAARO COc1ccc(OC/C=C\C[NH+]2CCC(C)CC2)cc1 ZINC000096314631 392247909 /nfs/dbraw/zinc/24/79/09/392247909.db2.gz GDJOIJLRNIMRPS-ARJAWSKDSA-N 1 0 275.392 3.362 50 0 CGAARO Fc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCSC1 ZINC000096499651 392256421 /nfs/dbraw/zinc/25/64/21/392256421.db2.gz BFIXMAVNIGKKRQ-ZWNOBZJWSA-N 1 0 267.369 3.135 50 0 CGAARO CC(C)c1ccc(CCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000236636585 393031408 /nfs/dbraw/zinc/03/14/08/393031408.db2.gz SWOHKCLRTQOZRK-RHSMWYFYSA-N 1 0 288.435 3.081 50 0 CGAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc(F)cc1 ZINC000670440769 543154348 /nfs/dbraw/zinc/15/43/48/543154348.db2.gz BXWHEVGABPFRLW-QLPKVWCKSA-N 1 0 293.382 3.236 50 0 CGAARO Cc1noc(C)c1C[N@H+](C)CCc1nc2c(cccc2C)[nH]1 ZINC000670461650 543156154 /nfs/dbraw/zinc/15/61/54/543156154.db2.gz XYMROULAZXIFGN-UHFFFAOYSA-N 1 0 298.390 3.151 50 0 CGAARO Cc1cccc([C@@H]2CCC[N@H+](Cc3cnc(N)s3)C2)c1 ZINC000670458608 543156459 /nfs/dbraw/zinc/15/64/59/543156459.db2.gz ABIQFBPXIYICHV-CQSZACIVSA-N 1 0 287.432 3.413 50 0 CGAARO Cc1ccccc1Cn1ncnc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000670461587 543156703 /nfs/dbraw/zinc/15/67/03/543156703.db2.gz ULDYBBHIOHYUNM-KRWDZBQOSA-N 1 0 298.434 3.223 50 0 CGAARO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2CCOC2)cc1 ZINC000334449805 292225664 /nfs/dbraw/zinc/22/56/64/292225664.db2.gz QTRPCMJRZDMVFC-HOCLYGCPSA-N 1 0 277.433 3.121 50 0 CGAARO Cc1ccc(C)c(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000002975032 169846227 /nfs/dbraw/zinc/84/62/27/169846227.db2.gz IEBXHWDCFSNVRP-UHFFFAOYSA-N 1 0 265.397 3.087 50 0 CGAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004891772 170036857 /nfs/dbraw/zinc/03/68/57/170036857.db2.gz KJHFHAALQQNXMP-DLBZAZTESA-N 1 0 272.392 3.258 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](C)C2)cc1OC ZINC000004989364 170049950 /nfs/dbraw/zinc/04/99/50/170049950.db2.gz DWGYSHSLCSXWCB-DZGCQCFKSA-N 1 0 277.408 3.415 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](C)C2)cc1OC ZINC000004989361 170050220 /nfs/dbraw/zinc/05/02/20/170050220.db2.gz DWGYSHSLCSXWCB-HIFRSBDPSA-N 1 0 277.408 3.415 50 0 CGAARO [NH3+][C@@H](CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000005684827 170128485 /nfs/dbraw/zinc/12/84/85/170128485.db2.gz AOMKRXHPZSCKRA-HNNXBMFYSA-N 1 0 269.344 3.090 50 0 CGAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(O)c1 ZINC000006565517 170213867 /nfs/dbraw/zinc/21/38/67/170213867.db2.gz OGHZHVHHNFZLTF-UHFFFAOYSA-N 1 0 279.343 3.405 50 0 CGAARO CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000006703752 170230509 /nfs/dbraw/zinc/23/05/09/170230509.db2.gz UWWWPXRLEZIXHS-UHFFFAOYSA-N 1 0 285.343 3.104 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006747605 170239757 /nfs/dbraw/zinc/23/97/57/170239757.db2.gz MGQZRRSVIOLXOP-SFHVURJKSA-N 1 0 299.414 3.435 50 0 CGAARO Cc1cccc(C)c1OCCCC[NH2+]C[C@H]1CCCO1 ZINC000008750523 170354353 /nfs/dbraw/zinc/35/43/53/170354353.db2.gz QGKNWZCGMHZNBM-MRXNPFEDSA-N 1 0 277.408 3.231 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(SC)cc2)cn1 ZINC000020186521 171050723 /nfs/dbraw/zinc/05/07/23/171050723.db2.gz LIDOOHHVPYHURO-UHFFFAOYSA-N 1 0 274.389 3.102 50 0 CGAARO Brc1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000020221703 171082770 /nfs/dbraw/zinc/08/27/70/171082770.db2.gz NVHMKQUMJJVSFS-GFCCVEGCSA-N 1 0 284.197 3.360 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000021635845 171317731 /nfs/dbraw/zinc/31/77/31/171317731.db2.gz SERJUQQSMFMICG-UHFFFAOYSA-N 1 0 293.370 3.318 50 0 CGAARO COCc1cccc(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000284954760 196164089 /nfs/dbraw/zinc/16/40/89/196164089.db2.gz ZMIIIWIZYRVIKO-UHFFFAOYSA-N 1 0 289.419 3.226 50 0 CGAARO Oc1ccc(C2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000040039219 174184427 /nfs/dbraw/zinc/18/44/27/174184427.db2.gz VXFOAHFIPZGCCY-IBGZPJMESA-N 1 0 297.398 3.305 50 0 CGAARO c1ccc2sc(SC[C@@H]3CCC[NH2+]3)nc2c1 ZINC000043497197 175058056 /nfs/dbraw/zinc/05/80/56/175058056.db2.gz ZBDWVIRUROTRDU-VIFPVBQESA-N 1 0 250.392 3.140 50 0 CGAARO CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)CC(C)C ZINC000046064656 175391203 /nfs/dbraw/zinc/39/12/03/175391203.db2.gz CEEUGWBNUHLQOZ-UHFFFAOYSA-N 1 0 289.379 3.223 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1Cl ZINC000046859264 175399715 /nfs/dbraw/zinc/39/97/15/175399715.db2.gz FTYXPZAGLYOPCT-LLVKDONJSA-N 1 0 298.789 3.083 50 0 CGAARO [NH3+]CCc1c[nH]c2cc(-c3ccc4c(c3)OCCO4)ccc12 ZINC000071649978 176240405 /nfs/dbraw/zinc/24/04/05/176240405.db2.gz XMXVLAHCRHTCGA-UHFFFAOYSA-N 1 0 294.354 3.107 50 0 CGAARO CC[N@@H+]1CCC[C@H](c2nccn2CCOc2ccccc2)C1 ZINC000071749719 176259453 /nfs/dbraw/zinc/25/94/53/176259453.db2.gz NPXRJRVUCAQFQW-INIZCTEOSA-N 1 0 299.418 3.161 50 0 CGAARO O=C(C[NH2+]Cc1ccsc1)Nc1cccc2cccnc21 ZINC000071792597 176263612 /nfs/dbraw/zinc/26/36/12/176263612.db2.gz KRMUIQLRMMKWAD-UHFFFAOYSA-N 1 0 297.383 3.025 50 0 CGAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COCc1cccs1 ZINC000071794357 176263947 /nfs/dbraw/zinc/26/39/47/176263947.db2.gz XHQWHRJNEXMYOW-OAHLLOKOSA-N 1 0 299.480 3.240 50 0 CGAARO c1coc(C[NH2+]CCc2coc(-c3ccccc3)n2)c1 ZINC000071857534 176279026 /nfs/dbraw/zinc/27/90/26/176279026.db2.gz DOZRLQRCRFHTMG-UHFFFAOYSA-N 1 0 268.316 3.267 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000071870366 176282793 /nfs/dbraw/zinc/28/27/93/176282793.db2.gz NOQBNFYRLHFTQI-GJZGRUSLSA-N 1 0 298.386 3.132 50 0 CGAARO Nc1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ccn1 ZINC000072128380 176321057 /nfs/dbraw/zinc/32/10/57/176321057.db2.gz ZMZXHWBDCKAKGO-MRXNPFEDSA-N 1 0 297.402 3.111 50 0 CGAARO C[C@@H]1CCC[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000072232556 176344319 /nfs/dbraw/zinc/34/43/19/176344319.db2.gz HLBKQWNHXCVNLD-UWWQBHOKSA-N 1 0 288.435 3.158 50 0 CGAARO CC(C)[N@@H+]1CCCC[C@@H]1CCc1cc(Cl)ncn1 ZINC000072343867 176371947 /nfs/dbraw/zinc/37/19/47/176371947.db2.gz TUQOUPSNQYLMEA-CYBMUJFWSA-N 1 0 267.804 3.326 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](Cc2cc(Cl)ncn2)CC1 ZINC000072343863 176372143 /nfs/dbraw/zinc/37/21/43/176372143.db2.gz LGFLNXDXMLKGOF-LBPRGKRZSA-N 1 0 267.804 3.183 50 0 CGAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000077385420 177261534 /nfs/dbraw/zinc/26/15/34/177261534.db2.gz RFBPYWARBPCLBY-OAHLLOKOSA-N 1 0 292.386 3.338 50 0 CGAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000077428764 177265788 /nfs/dbraw/zinc/26/57/88/177265788.db2.gz XFSMSUSAIUKRLZ-MRXNPFEDSA-N 1 0 291.439 3.079 50 0 CGAARO CCOc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000078553261 177353235 /nfs/dbraw/zinc/35/32/35/177353235.db2.gz FYFJOSYTEZVPFL-LBPRGKRZSA-N 1 0 287.407 3.286 50 0 CGAARO COc1ccc(-c2nc(CC[NH2+]Cc3ccco3)co2)cc1 ZINC000078552596 177353535 /nfs/dbraw/zinc/35/35/35/177353535.db2.gz NDNCCYHYBCIXOE-UHFFFAOYSA-N 1 0 298.342 3.276 50 0 CGAARO C[C@@H](C(N)=O)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000049442831 416472872 /nfs/dbraw/zinc/47/28/72/416472872.db2.gz RZSPOIRHGIJYSN-NSHDSACASA-N 1 0 271.364 3.271 50 0 CGAARO c1csc([C@H]([NH2+]Cc2ncc[nH]2)C2CCCC2)c1 ZINC000049715361 416474855 /nfs/dbraw/zinc/47/48/55/416474855.db2.gz XEDHXJUTTIGDRQ-CQSZACIVSA-N 1 0 261.394 3.492 50 0 CGAARO Cc1cn2nc(NCCCCCCC[NH+](C)C)sc2n1 ZINC000048366029 416450391 /nfs/dbraw/zinc/45/03/91/416450391.db2.gz DGBSGZAEALDHKU-UHFFFAOYSA-N 1 0 295.456 3.023 50 0 CGAARO Cc1noc(C)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000219429011 416521100 /nfs/dbraw/zinc/52/11/00/416521100.db2.gz CSDXFAMBYMNGSY-UHFFFAOYSA-N 1 0 285.391 3.050 50 0 CGAARO Cc1c[nH]c(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000663366522 419580188 /nfs/dbraw/zinc/58/01/88/419580188.db2.gz IRHGJHKXOVQMEB-KRWDZBQOSA-N 1 0 269.392 3.176 50 0 CGAARO CC(C)=CCC[C@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000032516070 270027244 /nfs/dbraw/zinc/02/72/44/270027244.db2.gz SUWMUGQDJIMAPG-RDJZCZTQSA-N 1 0 261.409 3.315 50 0 CGAARO C[NH2+]C[C@H](O)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248423 270197603 /nfs/dbraw/zinc/19/76/03/270197603.db2.gz NDPMIHCAKCZGDM-SFHVURJKSA-N 1 0 283.371 3.148 50 0 CGAARO Brc1ccc2c(c1)C[NH2+]CC21CCCC1 ZINC000091368567 275371590 /nfs/dbraw/zinc/37/15/90/275371590.db2.gz UZRYCUDBNMOKMT-UHFFFAOYSA-N 1 0 266.182 3.364 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000375597 274217934 /nfs/dbraw/zinc/21/79/34/274217934.db2.gz KFNAROPLJSUYSK-LBPRGKRZSA-N 1 0 281.783 3.371 50 0 CGAARO C[C@@H]1CN(C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099443 274344506 /nfs/dbraw/zinc/34/45/06/274344506.db2.gz LGMIHWZHLJSBDB-GFCCVEGCSA-N 1 0 294.826 3.017 50 0 CGAARO C[C@@H]1C[N@H+](Cc2ccc(O)cc2)Cc2ccccc2O1 ZINC000012099636 274354145 /nfs/dbraw/zinc/35/41/45/274354145.db2.gz WMEFXYQHXISYKL-CYBMUJFWSA-N 1 0 269.344 3.175 50 0 CGAARO Clc1cc(Cl)c(OC2C[NH2+]C2)c2ccccc12 ZINC000042769547 274880182 /nfs/dbraw/zinc/88/01/82/274880182.db2.gz XQNRTHFJSDEPHR-UHFFFAOYSA-N 1 0 268.143 3.497 50 0 CGAARO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCc2sccc21 ZINC000095968122 275534199 /nfs/dbraw/zinc/53/41/99/275534199.db2.gz UHISFXISRDLQGB-SGTLLEGYSA-N 1 0 285.478 3.262 50 0 CGAARO CC(C)(C)c1cc(Br)ccc1OC1C[NH2+]C1 ZINC000042769567 275534379 /nfs/dbraw/zinc/53/43/79/275534379.db2.gz ZHIPZUXHUQQZNP-UHFFFAOYSA-N 1 0 284.197 3.097 50 0 CGAARO CCC[C@H]1C=CC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000252483625 276046747 /nfs/dbraw/zinc/04/67/47/276046747.db2.gz FGCVFRQASCOAJT-ZDUSSCGKSA-N 1 0 290.407 3.217 50 0 CGAARO CC(C)CCN1CC[N@@H+](C2CCCCCC2)C[C@@H]1CCO ZINC000023373440 277354054 /nfs/dbraw/zinc/35/40/54/277354054.db2.gz WKWDWLWYLCDSQF-SFHVURJKSA-N 1 0 296.499 3.124 50 0 CGAARO CC(C)[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000014076210 277761170 /nfs/dbraw/zinc/76/11/70/277761170.db2.gz MZCZYLCUVVETPB-SJORKVTESA-N 1 0 282.387 3.200 50 0 CGAARO C[C@@H](c1ccc(-c2ncc(F)cn2)cc1)[NH+]1CCCC1 ZINC000426719826 278411302 /nfs/dbraw/zinc/41/13/02/278411302.db2.gz IHDLJEBUILNDKB-LBPRGKRZSA-N 1 0 271.339 3.440 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000225545248 279061270 /nfs/dbraw/zinc/06/12/70/279061270.db2.gz SCGKRADTAJMBLS-MRXNPFEDSA-N 1 0 285.391 3.338 50 0 CGAARO CC[NH+](CC)C[C@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000198401 279136390 /nfs/dbraw/zinc/13/63/90/279136390.db2.gz WZSGZOWAGWFZKL-CYBMUJFWSA-N 1 0 284.403 3.265 50 0 biogenic CGAARO C[C@H](C[NH+]1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225719534 279313521 /nfs/dbraw/zinc/31/35/21/279313521.db2.gz ROLNLIWWMRHTLN-GFCCVEGCSA-N 1 0 286.341 3.056 50 0 CGAARO Cc1c([C@H](C)[NH3+])cnn1-c1cccc(C(F)(F)F)c1 ZINC000012803912 280254183 /nfs/dbraw/zinc/25/41/83/280254183.db2.gz UVRWRQDSRLDHOL-QMMMGPOBSA-N 1 0 269.270 3.219 50 0 CGAARO Cc1cc(N2CCO[C@H](c3cccc(F)c3)C2)cc[nH+]1 ZINC000185992944 280564949 /nfs/dbraw/zinc/56/49/49/280564949.db2.gz JYLDOAKUWFSICD-INIZCTEOSA-N 1 0 272.323 3.107 50 0 CGAARO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000252518075 288298796 /nfs/dbraw/zinc/29/87/96/288298796.db2.gz ZHRJSLVJPPCYLS-CJNGLKHVSA-N 1 0 278.827 3.399 50 0 CGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCCC1 ZINC000006721911 281127469 /nfs/dbraw/zinc/12/74/69/281127469.db2.gz PLXBGSAVISPBTP-AEFFLSMTSA-N 1 0 298.430 3.320 50 0 CGAARO [NH3+][C@@H]1CCCCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000082133910 295297244 /nfs/dbraw/zinc/29/72/44/295297244.db2.gz JJHHCGLNAWZMIT-GFCCVEGCSA-N 1 0 275.783 3.206 50 0 CGAARO CCCc1nc(C)c(C[NH2+][C@H]2CCCSC2)s1 ZINC000534644798 328330348 /nfs/dbraw/zinc/33/03/48/328330348.db2.gz MGVDPCSVGJKOEW-NSHDSACASA-N 1 0 270.467 3.389 50 0 CGAARO Fc1ccc(F)c(C2([NH2+][C@@H]3CCCSC3)CC2)c1 ZINC000534662738 328350689 /nfs/dbraw/zinc/35/06/89/328350689.db2.gz PPWKQLFPAAWRAL-LLVKDONJSA-N 1 0 269.360 3.439 50 0 CGAARO Cc1cc(OCC(=O)N[C@@H](C)c2cccs2)cc(C)[nH+]1 ZINC000128193860 329528156 /nfs/dbraw/zinc/52/81/56/329528156.db2.gz JXTIHEVESGWHQN-LBPRGKRZSA-N 1 0 290.388 3.016 50 0 CGAARO CCOc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000007786615 528505184 /nfs/dbraw/zinc/50/51/84/528505184.db2.gz PVEZJAPFMHELMO-UHFFFAOYSA-N 1 0 290.407 3.288 50 0 CGAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245289687 566969594 /nfs/dbraw/zinc/96/95/94/566969594.db2.gz DLQYWZAKCHXTPJ-RYMFRWLXSA-N 1 0 269.454 3.064 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032869434 570410109 /nfs/dbraw/zinc/41/01/09/570410109.db2.gz WPUOFRRCHGGAPB-OAHLLOKOSA-N 1 0 286.419 3.297 50 0 CGAARO CC(C)c1nccn1CCC[NH2+]Cc1ccc(Cl)o1 ZINC000952973459 614327692 /nfs/dbraw/zinc/32/76/92/614327692.db2.gz ACIPPOPHXVDKEU-UHFFFAOYSA-N 1 0 281.787 3.433 50 0 CGAARO CCCC[C@@H]([NH2+]Cc1cccnc1N)c1cccnc1 ZINC000952978099 614478362 /nfs/dbraw/zinc/47/83/62/614478362.db2.gz XEICNTDRGJPABL-OAHLLOKOSA-N 1 0 270.380 3.080 50 0 CGAARO C[N@H+](Cc1ccsc1)[C@H]1CCN(c2ccccc2)C1 ZINC000952978443 616089936 /nfs/dbraw/zinc/08/99/36/616089936.db2.gz ZPPDNGYKCJXRKL-INIZCTEOSA-N 1 0 272.417 3.459 50 0 CGAARO C[N@@H+]1CC[C@](C)(CNCc2[nH]c3ccccc3c2Cl)C1 ZINC000952963032 616452963 /nfs/dbraw/zinc/45/29/63/616452963.db2.gz HBCWEVCHUPOWEA-MRXNPFEDSA-N 1 0 291.826 3.253 50 0 CGAARO Brc1cncc(SCC[NH+]2CCCC2)c1 ZINC000757209133 617845060 /nfs/dbraw/zinc/84/50/60/617845060.db2.gz FYIZDGBJXRSSSI-UHFFFAOYSA-N 1 0 287.226 3.032 50 0 CGAARO Clc1cccc(OCCOCC[NH+]2CCCCC2)c1 ZINC000002895674 618650766 /nfs/dbraw/zinc/65/07/66/618650766.db2.gz OZSJPWDRDLCGES-UHFFFAOYSA-N 1 0 283.799 3.221 50 0 CGAARO Cc1cccc2c(N3CCO[C@@H](C(F)F)C3)cc[nH+]c12 ZINC000193586502 623996434 /nfs/dbraw/zinc/99/64/34/623996434.db2.gz MDECQLCQPIAGRG-CYBMUJFWSA-N 1 0 278.302 3.014 50 0 CGAARO C[C@@H]1C[C@@](O)(c2ccccc2)[C@@H](C)C[N@@H+]1C(C)(C)C ZINC000016310725 641008038 /nfs/dbraw/zinc/00/80/38/641008038.db2.gz WAYZJBMQUCOOHW-VBQJREDUSA-N 1 0 261.409 3.403 50 0 CGAARO C[C@](O)(C[N@@H+]1Cc2ccccc2C2(CCC2)C1)C(F)(F)F ZINC000352361702 799326604 /nfs/dbraw/zinc/32/66/04/799326604.db2.gz LXWFGFVWLRALIH-AWEZNQCLSA-N 1 0 299.336 3.237 50 0 CGAARO CCC(C)(C)NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000426621734 799606545 /nfs/dbraw/zinc/60/65/45/799606545.db2.gz NUWPDRFRYQFZJB-UHFFFAOYSA-N 1 0 297.468 3.010 50 0 CGAARO CC[C@H](C(=O)NCCc1cccc2ccccc21)[N@H+](C)CC ZINC000822555133 800461716 /nfs/dbraw/zinc/46/17/16/800461716.db2.gz XDBIQYUDDUJIMA-GOSISDBHSA-N 1 0 298.430 3.229 50 0 CGAARO c1nnc(C[NH2+]C2Cc3ccccc3C2)n1C1CCCCC1 ZINC000952868386 800684791 /nfs/dbraw/zinc/68/47/91/800684791.db2.gz MNLAUINGKSDCGT-UHFFFAOYSA-N 1 0 296.418 3.040 50 0 CGAARO Cc1cccc(C[N@@H+](C)C[C@H](C)C[NH+]2CCCC2)c1 ZINC000952873769 800685887 /nfs/dbraw/zinc/68/58/87/800685887.db2.gz OGYFCRVHRGLKMG-INIZCTEOSA-N 1 0 260.425 3.159 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1nccc2ccccc21 ZINC000952877206 800686422 /nfs/dbraw/zinc/68/64/22/800686422.db2.gz MXPQVNPSMOFJTF-XPKDYRNWSA-N 1 0 270.376 3.046 50 0 CGAARO Cc1cnc(-c2cccnc2)n1CC1C[NH+](C2CCCC2)C1 ZINC000409420999 932025892 /nfs/dbraw/zinc/02/58/92/932025892.db2.gz UYURVQBJDYEFLR-UHFFFAOYSA-N 1 0 296.418 3.128 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)n1 ZINC001506396225 937989390 /nfs/dbraw/zinc/98/93/90/937989390.db2.gz DJPOVHDRDRZRNZ-MRXNPFEDSA-N 1 0 298.434 3.163 50 0 CGAARO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccccc3C)C2)cn1 ZINC001506395922 937989438 /nfs/dbraw/zinc/98/94/38/937989438.db2.gz BMJORTGZLLSTMV-INIZCTEOSA-N 1 0 281.403 3.473 50 0 CGAARO Cc1ccnn1CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001506398036 937989659 /nfs/dbraw/zinc/98/96/59/937989659.db2.gz SGIRSUFTJKNEOL-KRWDZBQOSA-N 1 0 269.392 3.201 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000096455486 230376947 /nfs/dbraw/zinc/37/69/47/230376947.db2.gz UYVSXGWUDJWUJX-CYBMUJFWSA-N 1 0 283.799 3.086 50 0 CGAARO CSC[C@H](CCO)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000096478207 230380101 /nfs/dbraw/zinc/38/01/01/230380101.db2.gz VZVPIPPCENKFEO-YPMHNXCESA-N 1 0 279.405 3.197 50 0 CGAARO CCC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1NC(C)=O ZINC000095528820 185004592 /nfs/dbraw/zinc/00/45/92/185004592.db2.gz SKHLZABTZXIBHI-GDBMZVCRSA-N 1 0 294.826 3.077 50 0 CGAARO CC(C)CSC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000095968705 185047440 /nfs/dbraw/zinc/04/74/40/185047440.db2.gz MLIOSUYBDDMYMB-QWHCGFSZSA-N 1 0 296.484 3.043 50 0 CGAARO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000095985867 185056172 /nfs/dbraw/zinc/05/61/72/185056172.db2.gz BOPNAIUZMPVTEH-GUYCJALGSA-N 1 0 270.376 3.170 50 0 CGAARO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000096004847 185062959 /nfs/dbraw/zinc/06/29/59/185062959.db2.gz ZHBUKCLQHNYEKC-OAHLLOKOSA-N 1 0 297.398 3.176 50 0 CGAARO Cc1ccc(F)cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000096140371 185105953 /nfs/dbraw/zinc/10/59/53/185105953.db2.gz BIOFONNSSOMZKM-AWEZNQCLSA-N 1 0 293.386 3.082 50 0 CGAARO CSCc1noc(CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000096148460 185106464 /nfs/dbraw/zinc/10/64/64/185106464.db2.gz PKNKZKICCIZHFP-QWHCGFSZSA-N 1 0 295.452 3.130 50 0 CGAARO Cc1cc(-c2cccc([C@H](C)[NH+](C)C)c2)c(=O)[nH]c1C ZINC000096149131 185107439 /nfs/dbraw/zinc/10/74/39/185107439.db2.gz GMOPQJBXOMJHDE-ZDUSSCGKSA-N 1 0 270.376 3.281 50 0 CGAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000032721273 295679308 /nfs/dbraw/zinc/67/93/08/295679308.db2.gz VDVOFKHPTSEWSC-CQSZACIVSA-N 1 0 292.448 3.191 50 0 CGAARO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)o1 ZINC000097016892 529721247 /nfs/dbraw/zinc/72/12/47/529721247.db2.gz TUZHPILDFNZIBB-BLLLJJGKSA-N 1 0 289.375 3.235 50 0 CGAARO c1nc2cccnc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021020171 344892377 /nfs/dbraw/zinc/89/23/77/344892377.db2.gz PPCBCJLLOQPIRW-UHFFFAOYSA-N 1 0 292.386 3.268 50 0 CGAARO CC[NH+](CC)C[C@H](C)C(=O)c1cn(C)c2ccccc12 ZINC000034454681 344939860 /nfs/dbraw/zinc/93/98/60/344939860.db2.gz HMNRSTZBMVZIBE-ZDUSSCGKSA-N 1 0 272.392 3.339 50 0 CGAARO c1ccc2sc(CC[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000061571773 345230378 /nfs/dbraw/zinc/23/03/78/345230378.db2.gz LIAORXNIVOXXNN-LLVKDONJSA-N 1 0 278.446 3.324 50 0 CGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(OC)c1 ZINC000072298452 345408911 /nfs/dbraw/zinc/40/89/11/345408911.db2.gz MBYAMKKKLUTHRM-INIZCTEOSA-N 1 0 285.391 3.079 50 0 CGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000076056409 345531858 /nfs/dbraw/zinc/53/18/58/345531858.db2.gz CYMWBKDKJFWEDU-ZOBUZTSGSA-N 1 0 288.435 3.230 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000089895750 345776875 /nfs/dbraw/zinc/77/68/75/345776875.db2.gz OFJRYXXVFYPYQM-GJZGRUSLSA-N 1 0 298.434 3.286 50 0 CGAARO COCC[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026372 345900761 /nfs/dbraw/zinc/90/07/61/345900761.db2.gz CMGISLHRSGRBFL-UHFFFAOYSA-N 1 0 285.387 3.029 50 0 CGAARO C[NH+](C)C[C@@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000096027102 345901875 /nfs/dbraw/zinc/90/18/75/345901875.db2.gz GWKUOJPCBVXLJQ-QGZVFWFLSA-N 1 0 267.372 3.290 50 0 CGAARO CCCC[NH2+]C[C@@H]1COc2c(Cl)ccc(C)c2C1=O ZINC000096026868 345902044 /nfs/dbraw/zinc/90/20/44/345902044.db2.gz FRVZGBFVDGWNRB-LLVKDONJSA-N 1 0 281.783 3.229 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1nc2ccccc2o1 ZINC000097101707 345907130 /nfs/dbraw/zinc/90/71/30/345907130.db2.gz HYJRENBHCKGJLF-XQQFMLRXSA-N 1 0 274.364 3.030 50 0 CGAARO C[N@H+](Cc1coc2ccccc12)Cc1cccnc1 ZINC000097375287 345908025 /nfs/dbraw/zinc/90/80/25/345908025.db2.gz RQFWMVBFPHWZEP-UHFFFAOYSA-N 1 0 252.317 3.460 50 0 CGAARO OC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127708833 346033984 /nfs/dbraw/zinc/03/39/84/346033984.db2.gz PPZRJXYNGINODQ-FVCCEPFGSA-N 1 0 279.346 3.248 50 0 CGAARO CC(C)(C)CC[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000170087145 346193626 /nfs/dbraw/zinc/19/36/26/346193626.db2.gz ISEMFKOZUJVQTC-LBPRGKRZSA-N 1 0 260.381 3.138 50 0 CGAARO CC(C)(C)CC[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000170087149 346193714 /nfs/dbraw/zinc/19/37/14/346193714.db2.gz ISEMFKOZUJVQTC-GFCCVEGCSA-N 1 0 260.381 3.138 50 0 CGAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000170605267 346195107 /nfs/dbraw/zinc/19/51/07/346195107.db2.gz ZGDRPWXZVGUTBD-NEPJUHHUSA-N 1 0 254.399 3.137 50 0 CGAARO Cc1cnc(CC[NH2+]C[C@H](C)c2ccccc2)s1 ZINC000194480009 346271402 /nfs/dbraw/zinc/27/14/02/346271402.db2.gz ZCMSROXDPXDXKM-LBPRGKRZSA-N 1 0 260.406 3.387 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@H](C)CCO ZINC000584899761 346723135 /nfs/dbraw/zinc/72/31/35/346723135.db2.gz ZCKQKHBPXSZWKR-SNVBAGLBSA-N 1 0 280.799 3.033 50 0 CGAARO CC(C)CCCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000585136144 346724536 /nfs/dbraw/zinc/72/45/36/346724536.db2.gz SSALGAPGWWHTDL-HNNXBMFYSA-N 1 0 290.455 3.230 50 0 CGAARO Cc1nocc1[C@H](C)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000585134611 346724745 /nfs/dbraw/zinc/72/47/45/346724745.db2.gz BVZVQLBBEINCOC-SWLSCSKDSA-N 1 0 289.379 3.064 50 0 CGAARO C[C@H](c1ccccn1)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000091702247 180230522 /nfs/dbraw/zinc/23/05/22/180230522.db2.gz YUCGHCYDTWLXLD-NPCAHTBFSA-N 1 0 262.397 3.016 50 0 CGAARO c1cncc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2C=CCCC2)c1 ZINC000106853130 186143207 /nfs/dbraw/zinc/14/32/07/186143207.db2.gz IEIIRLWYNDDPRA-SJORKVTESA-N 1 0 272.392 3.171 50 0 CGAARO CC[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC ZINC000107061464 186158208 /nfs/dbraw/zinc/15/82/08/186158208.db2.gz WGKLLQXRKXICDK-WBVHZDCISA-N 1 0 288.435 3.156 50 0 CGAARO CS[C@@H]1CCC[C@H]1[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000107145217 186160752 /nfs/dbraw/zinc/16/07/52/186160752.db2.gz UWIPTTVWJDUJIV-HZPDHXFCSA-N 1 0 292.448 3.361 50 0 CGAARO C[C@H](CCc1ccco1)[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000271476129 191161183 /nfs/dbraw/zinc/16/11/83/191161183.db2.gz MPOXFVOQCGDZGW-MLGOLLRUSA-N 1 0 277.339 3.063 50 0 CGAARO Cc1cc(CC[NH2+]C2CC(C)(c3ccc(F)cc3)C2)on1 ZINC000367593520 234231442 /nfs/dbraw/zinc/23/14/42/234231442.db2.gz HNSXGZGYASEPMB-UHFFFAOYSA-N 1 0 288.366 3.375 50 0 CGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154888066 188168513 /nfs/dbraw/zinc/16/85/13/188168513.db2.gz SFLMJOHTRIIIBP-QGZVFWFLSA-N 1 0 298.434 3.113 50 0 CGAARO COc1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183971389 189373113 /nfs/dbraw/zinc/37/31/13/189373113.db2.gz GQRXTOPJHGCZHP-LBPRGKRZSA-N 1 0 276.405 3.387 50 0 CGAARO COCc1cc(C[NH+]2CCCCCC2)ccc1OC ZINC000218889349 376191195 /nfs/dbraw/zinc/19/11/95/376191195.db2.gz ATCZBGZTGIFIBN-UHFFFAOYSA-N 1 0 263.381 3.218 50 0 CGAARO CC1(C)C[C@](CC[NH3+])(c2ccc(F)cc2)CCO1 ZINC000000235301 368320466 /nfs/dbraw/zinc/32/04/66/368320466.db2.gz LHTXAUZHTWDXMN-OAHLLOKOSA-N 1 0 251.345 3.001 50 0 CGAARO CCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)C)c1C ZINC000000104420 368290338 /nfs/dbraw/zinc/29/03/38/368290338.db2.gz POJSGMLAGQPKRR-UHFFFAOYSA-N 1 0 285.391 3.042 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000176643 368309689 /nfs/dbraw/zinc/30/96/89/368309689.db2.gz SZRQXUGRQPIDLF-BETUJISGSA-N 1 0 278.371 3.132 50 0 CGAARO C[C@@H](C[N@H+](C)CCc1ccccn1)c1ccccc1 ZINC000000183100 368310246 /nfs/dbraw/zinc/31/02/46/368310246.db2.gz JMUPJFPFAHYZEU-HNNXBMFYSA-N 1 0 254.377 3.360 50 0 CGAARO Nc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000184014 368311739 /nfs/dbraw/zinc/31/17/39/368311739.db2.gz HKBJSDNECZUKSR-UHFFFAOYSA-N 1 0 257.724 3.320 50 0 CGAARO COc1ccccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000000277734 368330251 /nfs/dbraw/zinc/33/02/51/368330251.db2.gz YGZVUAJDWIUHIO-UHFFFAOYSA-N 1 0 288.435 3.398 50 0 CGAARO Cc1ccc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000000277218 368330727 /nfs/dbraw/zinc/33/07/27/368330727.db2.gz NZUSZLCOODYIFO-QGZVFWFLSA-N 1 0 270.420 3.473 50 0 CGAARO [NH3+]CC[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287389 368333506 /nfs/dbraw/zinc/33/35/06/368333506.db2.gz VOIZDQSLTVNUIJ-HNNXBMFYSA-N 1 0 269.344 3.090 50 0 biogenic CGAARO O=C(OCC[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000000808179 368396243 /nfs/dbraw/zinc/39/62/43/368396243.db2.gz RQFJVHRHAIKAOP-UHFFFAOYSA-N 1 0 273.332 3.076 50 0 CGAARO Cc1cc(OCC[NH+]2CCCCC2)nc2ccccc12 ZINC000000544553 368385441 /nfs/dbraw/zinc/38/54/41/368385441.db2.gz HBPJBJXTCJMPOQ-UHFFFAOYSA-N 1 0 270.376 3.408 50 0 CGAARO C[N@H+](CCc1ccccn1)[C@@H]1CCc2ccccc2C1 ZINC000000757795 368393405 /nfs/dbraw/zinc/39/34/05/368393405.db2.gz UGTTZLWFRZDNMP-GOSISDBHSA-N 1 0 266.388 3.113 50 0 CGAARO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)cc(OC)c1 ZINC000000758807 368394753 /nfs/dbraw/zinc/39/47/53/368394753.db2.gz DRSYBUUGHBYGHZ-WBMJQRKESA-N 1 0 263.381 3.372 50 0 CGAARO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000001462636 368416033 /nfs/dbraw/zinc/41/60/33/368416033.db2.gz RRXRGGDXVXFXRD-BBWFWOEESA-N 1 0 291.435 3.306 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000001188189 368404545 /nfs/dbraw/zinc/40/45/45/368404545.db2.gz UHWJPVZFBUZSSG-CYBMUJFWSA-N 1 0 279.424 3.112 50 0 CGAARO O[C@@]1(c2ccccc2)Cc2cccc[n+]2[C@@H]1c1ccccc1 ZINC000001293936 368406689 /nfs/dbraw/zinc/40/66/89/368406689.db2.gz VFMVDWUMTCHNKD-WOJBJXKFSA-N 1 0 288.370 3.007 50 0 CGAARO CC[NH+](CC)CCCCCOC(=O)c1ccccc1 ZINC000001649110 368426372 /nfs/dbraw/zinc/42/63/72/368426372.db2.gz AHXVVPBUBCAOTR-UHFFFAOYSA-N 1 0 263.381 3.356 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)/C=C/c1ccccc1 ZINC000001776677 368438016 /nfs/dbraw/zinc/43/80/16/368438016.db2.gz CWYIKQNGWIEZGZ-AUECHBEKSA-N 1 0 273.376 3.117 50 0 CGAARO [NH3+]CCCCc1nnc(SCc2ccccc2Cl)o1 ZINC000001874262 368439874 /nfs/dbraw/zinc/43/98/74/368439874.db2.gz GYMVITJQZHHMPR-UHFFFAOYSA-N 1 0 297.811 3.297 50 0 CGAARO C[NH+](C)C[C@](C)(Oc1ccccc1)C(=O)c1ccccc1 ZINC000001843230 368440475 /nfs/dbraw/zinc/44/04/75/368440475.db2.gz CVYKYMGNMPBBKM-SFHVURJKSA-N 1 0 283.371 3.269 50 0 CGAARO CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000002655779 368472931 /nfs/dbraw/zinc/47/29/31/368472931.db2.gz NDOMXUNDXMPPMQ-SECBINFHSA-N 1 0 274.286 3.032 50 0 CGAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000002694440 368473065 /nfs/dbraw/zinc/47/30/65/368473065.db2.gz WYQXVDHCELLOBL-ZIAGYGMSSA-N 1 0 279.424 3.328 50 0 CGAARO C[NH+](C)C/C=C/CC(O)(c1ccccc1)c1ccccc1 ZINC000002288603 368451616 /nfs/dbraw/zinc/45/16/16/368451616.db2.gz FCBWZHSHIBUKKP-MDZDMXLPSA-N 1 0 281.399 3.430 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCCCC2)c(C)c1 ZINC000002895562 368484696 /nfs/dbraw/zinc/48/46/96/368484696.db2.gz BZLSRWKFFZZVLO-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO Cc1cccc(OCCOCC[NH+]2CCC(C)CC2)c1C ZINC000002953119 368486011 /nfs/dbraw/zinc/48/60/11/368486011.db2.gz XLKOHHQMEZLQEC-UHFFFAOYSA-N 1 0 291.435 3.431 50 0 CGAARO CCC(=O)c1ccccc1OCC[NH+]1CCCCC1 ZINC000003621501 368516153 /nfs/dbraw/zinc/51/61/53/368516153.db2.gz JPFNFBBOBIUQNO-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000004205200 368536316 /nfs/dbraw/zinc/53/63/16/368536316.db2.gz XONKIXFAXIPUTB-UHFFFAOYSA-N 1 0 269.373 3.320 50 0 CGAARO Nc1[nH+]c2ccccc2n1CCCOc1ccc(F)cc1 ZINC000004386078 368544692 /nfs/dbraw/zinc/54/46/92/368544692.db2.gz MLWASOHZCMLSTE-UHFFFAOYSA-N 1 0 285.322 3.227 50 0 CGAARO COc1ccc(Nc2cc(N3CCCCC3)ncn2)cc1 ZINC000006792962 368569606 /nfs/dbraw/zinc/56/96/06/368569606.db2.gz MFDKSARDEQXUHX-UHFFFAOYSA-N 1 0 284.363 3.219 50 0 CGAARO CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)[NH+](C)C ZINC000012223545 368606618 /nfs/dbraw/zinc/60/66/18/368606618.db2.gz KLZGSFQMKREQMW-CYBMUJFWSA-N 1 0 283.803 3.048 50 0 CGAARO Cc1ccccc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000012348353 368608307 /nfs/dbraw/zinc/60/83/07/368608307.db2.gz ZGCPUZVEEQEHTG-OAHLLOKOSA-N 1 0 288.416 3.089 50 0 CGAARO Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013667772 368661234 /nfs/dbraw/zinc/66/12/34/368661234.db2.gz QVJDCHHVMNDZOX-IYBDPMFKSA-N 1 0 288.435 3.093 50 0 CGAARO CCC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015356899 368693428 /nfs/dbraw/zinc/69/34/28/368693428.db2.gz XDOCICKIOQVSCQ-UHFFFAOYSA-N 1 0 299.370 3.494 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000015831614 368703682 /nfs/dbraw/zinc/70/36/82/368703682.db2.gz ZITJIBGGXVVJLA-INIZCTEOSA-N 1 0 298.386 3.155 50 0 CGAARO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+](C)C)cc1Cl ZINC000013965079 368671100 /nfs/dbraw/zinc/67/11/00/368671100.db2.gz BMSBDZJSFBDHLL-CQSZACIVSA-N 1 0 297.830 3.356 50 0 CGAARO CC(C)[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000014076208 368674404 /nfs/dbraw/zinc/67/44/04/368674404.db2.gz MZCZYLCUVVETPB-IAGOWNOFSA-N 1 0 282.387 3.200 50 0 CGAARO Cc1cccc(OCCSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000014189223 368676610 /nfs/dbraw/zinc/67/66/10/368676610.db2.gz YAHGBFVTHNZBSN-HUUCEWRRSA-N 1 0 290.432 3.377 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000016994377 368725269 /nfs/dbraw/zinc/72/52/69/368725269.db2.gz VYFIGFSVSVWBNN-CXAGYDPISA-N 1 0 291.435 3.083 50 0 CGAARO Cc1ccc(OCCSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000014199278 368678455 /nfs/dbraw/zinc/67/84/55/368678455.db2.gz ALZPZPGFHOZDCE-GASCZTMLSA-N 1 0 290.432 3.377 50 0 CGAARO Cc1cc(C)c(C)c(OCCCC[NH+]2CCOCC2)c1 ZINC000019607373 368758453 /nfs/dbraw/zinc/75/84/53/368758453.db2.gz SCZZMRSXERCOKF-UHFFFAOYSA-N 1 0 277.408 3.103 50 0 CGAARO Clc1ccccc1OCCCCC[NH+]1CCOCC1 ZINC000019607496 368758532 /nfs/dbraw/zinc/75/85/32/368758532.db2.gz NRGXKRCNOFHLKT-UHFFFAOYSA-N 1 0 283.799 3.221 50 0 CGAARO CN1CC[NH+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019609102 368758872 /nfs/dbraw/zinc/75/88/72/368758872.db2.gz KZKJQUPAQBXKNF-UHFFFAOYSA-N 1 0 278.399 3.005 50 0 CGAARO COc1cccc(CC[NH2+]Cc2ccc(F)cc2)c1 ZINC000019642855 368759941 /nfs/dbraw/zinc/75/99/41/368759941.db2.gz FOWWCIZNDIHWSF-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CCN(CC)CC[NH2+]C[C@H](C)Oc1cc(C)ccc1C ZINC000019737644 368762525 /nfs/dbraw/zinc/76/25/25/368762525.db2.gz XFFDBPXJHRLHFP-INIZCTEOSA-N 1 0 278.440 3.002 50 0 CGAARO Cc1cccc(Cc2noc(CCC[NH+]3CCCCC3)n2)c1 ZINC000019334614 368748762 /nfs/dbraw/zinc/74/87/62/368748762.db2.gz MYYWMTLMKZZXGX-UHFFFAOYSA-N 1 0 299.418 3.387 50 0 CGAARO CCC(CC)[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000019361717 368750171 /nfs/dbraw/zinc/75/01/71/368750171.db2.gz UHENSTMIZUUONR-UHFFFAOYSA-N 1 0 260.425 3.301 50 0 CGAARO CCOc1ccc(CN2CC[NH+]([C@@H](C)CC)CC2)cc1 ZINC000019499937 368755706 /nfs/dbraw/zinc/75/57/06/368755706.db2.gz WFGJOMJMGKTLPT-HNNXBMFYSA-N 1 0 276.424 3.001 50 0 CGAARO C[NH+]1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019536788 368756674 /nfs/dbraw/zinc/75/66/74/368756674.db2.gz BTWXNZQCFPKMKW-UHFFFAOYSA-N 1 0 282.387 3.226 50 0 CGAARO CC[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000019594975 368757949 /nfs/dbraw/zinc/75/79/49/368757949.db2.gz XXZTURWMDMNVQX-QGZVFWFLSA-N 1 0 297.402 3.024 50 0 CGAARO c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000022925187 368814571 /nfs/dbraw/zinc/81/45/71/368814571.db2.gz LLWQHVHWKHCUIO-UHFFFAOYSA-N 1 0 272.436 3.385 50 0 CGAARO OC[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000023280716 368818777 /nfs/dbraw/zinc/81/87/77/368818777.db2.gz MLBNDXLLJFHQEK-GOSISDBHSA-N 1 0 297.398 3.222 50 0 CGAARO c1nn(-c2ccccc2)cc1C[NH2+]CCc1ccccc1 ZINC000019919766 368784806 /nfs/dbraw/zinc/78/48/06/368784806.db2.gz SDBZDYRFROHOCT-UHFFFAOYSA-N 1 0 277.371 3.205 50 0 CGAARO OC1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000019918831 368784921 /nfs/dbraw/zinc/78/49/21/368784921.db2.gz IKEZGOHSKNXYJM-YIZWMMSDSA-N 1 0 263.406 3.117 50 0 CGAARO FC(F)(F)C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019958085 368788798 /nfs/dbraw/zinc/78/87/98/368788798.db2.gz MSBSOKRUKVOFIK-NSHDSACASA-N 1 0 254.255 3.307 50 0 CGAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000030640847 368904625 /nfs/dbraw/zinc/90/46/25/368904625.db2.gz NIQFYLJPIJCWAQ-ZDUSSCGKSA-N 1 0 283.375 3.281 50 0 CGAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000030908811 368909060 /nfs/dbraw/zinc/90/90/60/368909060.db2.gz MJLYDEIZPRCETK-OAHLLOKOSA-N 1 0 281.359 3.334 50 0 CGAARO CC(C)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000032131959 368926653 /nfs/dbraw/zinc/92/66/53/368926653.db2.gz SOOVNYDDWBGALR-SFHVURJKSA-N 1 0 285.387 3.297 50 0 CGAARO c1cn(CCC[NH2+]Cc2cccc3ccccc32)cn1 ZINC000035104210 368997892 /nfs/dbraw/zinc/99/78/92/368997892.db2.gz AJVAOGMXEVDCMW-UHFFFAOYSA-N 1 0 265.360 3.216 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000036997469 369048959 /nfs/dbraw/zinc/04/89/59/369048959.db2.gz FVAMITZZLBQCFJ-GFCCVEGCSA-N 1 0 273.380 3.356 50 0 CGAARO COc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000034980758 368985788 /nfs/dbraw/zinc/98/57/88/368985788.db2.gz STNFXQPHLANMTL-GFCCVEGCSA-N 1 0 261.365 3.130 50 0 CGAARO Cc1ccc(COc2ccc(C[C@@H](C)[NH3+])cc2)cc1 ZINC000037723606 369102378 /nfs/dbraw/zinc/10/23/78/369102378.db2.gz SVYLWCUPMNLACC-CQSZACIVSA-N 1 0 255.361 3.464 50 0 CGAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000042775728 369232521 /nfs/dbraw/zinc/23/25/21/369232521.db2.gz KYNBRVJEMYUGBC-NSHDSACASA-N 1 0 276.767 3.267 50 0 CGAARO Clc1ccccc1COCC[C@@H]1CCC[NH2+]C1 ZINC000042771805 369230858 /nfs/dbraw/zinc/23/08/58/369230858.db2.gz IRTIRHABJTZGMF-LBPRGKRZSA-N 1 0 253.773 3.246 50 0 CGAARO CCc1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774383 369232084 /nfs/dbraw/zinc/23/20/84/369232084.db2.gz GQTZSRIZWTVMNR-LLVKDONJSA-N 1 0 298.224 3.390 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000048288898 369339648 /nfs/dbraw/zinc/33/96/48/369339648.db2.gz DSEYULQGXJHJHQ-ZIAGYGMSSA-N 1 0 292.448 3.144 50 0 CGAARO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048314547 369341543 /nfs/dbraw/zinc/34/15/43/369341543.db2.gz AYZXFWMKKOGQDQ-CYBMUJFWSA-N 1 0 294.445 3.117 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053899175 369489614 /nfs/dbraw/zinc/48/96/14/369489614.db2.gz UOZHVPGIAKPRFZ-AWEZNQCLSA-N 1 0 261.365 3.251 50 0 CGAARO C[NH+](C)CCCNCc1ccc(Cl)cc1Cl ZINC000057364355 369536444 /nfs/dbraw/zinc/53/64/44/369536444.db2.gz UFXGLSFIBBLIIK-UHFFFAOYSA-N 1 0 261.196 3.035 50 0 CGAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000057392086 369537249 /nfs/dbraw/zinc/53/72/49/369537249.db2.gz ZFHXZHJKHYIVBA-ZIAGYGMSSA-N 1 0 298.386 3.373 50 0 CGAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(C)cc1 ZINC000057463261 369537990 /nfs/dbraw/zinc/53/79/90/369537990.db2.gz HRLPPQJLPKZYTD-SJLPKXTDSA-N 1 0 283.371 3.153 50 0 CGAARO CCn1cc(C[N@H+](CC)Cc2ccc(O)c(Cl)c2)cn1 ZINC000055108660 369510518 /nfs/dbraw/zinc/51/05/18/369510518.db2.gz KEGMAMGXIUITQI-UHFFFAOYSA-N 1 0 293.798 3.284 50 0 CGAARO Cc1nc2sccc2c(NCC[C@H](C)[NH+]2CCCC2)n1 ZINC000055368632 369515071 /nfs/dbraw/zinc/51/50/71/369515071.db2.gz CTASQJQVGKWWMF-NSHDSACASA-N 1 0 290.436 3.286 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283.375 3.325 50 0 CGAARO CSc1ccc(-c2ccc3c(c2)C[C@@H](C[NH3+])O3)cc1 ZINC000299784957 373612536 /nfs/dbraw/zinc/61/25/36/373612536.db2.gz PWAGQRHYRNAFHT-AWEZNQCLSA-N 1 0 271.385 3.338 50 0 CGAARO O=C1NC(=O)[C@@]2(CCC[C@H]2C[NH2+]C2CCCCCCC2)N1 ZINC000328595655 374368784 /nfs/dbraw/zinc/36/87/84/374368784.db2.gz ZVORMGMLWQCCHT-LRDDRELGSA-N 1 0 293.411 3.112 50 0 CGAARO CN(C)c1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000084241070 541932968 /nfs/dbraw/zinc/93/29/68/541932968.db2.gz XDWFXNDCHRIGAL-UHFFFAOYSA-N 1 0 286.423 3.063 50 0 CGAARO CCCN(CC[NH+](C)C)c1ncnc2sc(C)c(C)c21 ZINC000084755202 541934764 /nfs/dbraw/zinc/93/47/64/541934764.db2.gz KDUIZIUBMWEMLE-UHFFFAOYSA-N 1 0 292.452 3.086 50 0 CGAARO COc1ccc2oc(C[N@H+](C)Cc3ccncc3)cc2c1 ZINC000183743811 374448732 /nfs/dbraw/zinc/44/87/32/374448732.db2.gz WUDVRDPVURTSRI-UHFFFAOYSA-N 1 0 282.343 3.468 50 0 CGAARO CO[C@H](C[NH2+][C@@H](C)c1cnccn1)c1ccccc1Cl ZINC000090453515 541962530 /nfs/dbraw/zinc/96/25/30/541962530.db2.gz 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/nfs/dbraw/zinc/15/46/81/376154681.db2.gz ZFNIOWFUTAXNKD-GFCCVEGCSA-N 1 0 275.396 3.256 50 0 CGAARO CN(CC[NH2+][C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000225402922 376307375 /nfs/dbraw/zinc/30/73/75/376307375.db2.gz DVLSRRXJIIBOQD-SFHVURJKSA-N 1 0 296.414 3.496 50 0 CGAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000225462749 376310852 /nfs/dbraw/zinc/31/08/52/376310852.db2.gz WPZFNHLQWOVUMX-OUAUKWLOSA-N 1 0 285.334 3.203 50 0 CGAARO FCCCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000225469149 376312920 /nfs/dbraw/zinc/31/29/20/376312920.db2.gz YGEONEUKDZITOO-KBPBESRZSA-N 1 0 253.365 3.096 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000225545271 376317215 /nfs/dbraw/zinc/31/72/15/376317215.db2.gz SCGKRADTAJMBLS-INIZCTEOSA-N 1 0 285.391 3.338 50 0 CGAARO CC[NH+](CC)Cc1ccc(Br)c(F)c1 ZINC000230532833 376521609 /nfs/dbraw/zinc/52/16/09/376521609.db2.gz DWYUCDHRIPUSBZ-UHFFFAOYSA-N 1 0 260.150 3.430 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000230109189 376483416 /nfs/dbraw/zinc/48/34/16/376483416.db2.gz VBHNHRNINAVSQL-JFIYKMOQSA-N 1 0 291.435 3.211 50 0 CGAARO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000233993855 376607738 /nfs/dbraw/zinc/60/77/38/376607738.db2.gz UKNJYLILQHCCMR-WDEREUQCSA-N 1 0 256.440 3.215 50 0 CGAARO CC1(C)CCC(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000241644444 376778833 /nfs/dbraw/zinc/77/88/33/376778833.db2.gz PQUMBGKWJDRNOT-UHFFFAOYSA-N 1 0 292.467 3.195 50 0 CGAARO Clc1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000241720888 376778877 /nfs/dbraw/zinc/77/88/77/376778877.db2.gz QTDNSORQSBXOCW-AWEZNQCLSA-N 1 0 264.800 3.010 50 0 CGAARO COc1ccc(OCC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000244773763 376797066 /nfs/dbraw/zinc/79/70/66/376797066.db2.gz PFZZYWVEOKFIJJ-UHFFFAOYSA-N 1 0 275.392 3.340 50 0 CGAARO Cn1c(C[N@H+](C)CCCc2cccnc2)nc2ccccc21 ZINC000244858654 376798572 /nfs/dbraw/zinc/79/85/72/376798572.db2.gz VPLVSLPAZATQPZ-UHFFFAOYSA-N 1 0 294.402 3.033 50 0 CGAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cnc2ccccc2c1 ZINC000244595028 376793800 /nfs/dbraw/zinc/79/38/00/376793800.db2.gz DNEOLNVKPBIGQG-MAUKXSAKSA-N 1 0 295.430 3.151 50 0 CGAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245492703 376830441 /nfs/dbraw/zinc/83/04/41/376830441.db2.gz JZTOUSNJJMRQCO-SWLSCSKDSA-N 1 0 293.386 3.020 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1 ZINC000252480510 377628307 /nfs/dbraw/zinc/62/83/07/377628307.db2.gz CBFYAQLVRRKBGK-KRWDZBQOSA-N 1 0 277.408 3.068 50 0 CGAARO C[C@H](c1cccs1)[N@H+](C)CCc1cscn1 ZINC000253415715 377689752 /nfs/dbraw/zinc/68/97/52/377689752.db2.gz LOXVOZWALZBTHP-SNVBAGLBSA-N 1 0 252.408 3.440 50 0 CGAARO C[NH+](C)[C@@H]1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1 ZINC000253370914 377687370 /nfs/dbraw/zinc/68/73/70/377687370.db2.gz XYLYTZVLICOVEU-ZHALLVOQSA-N 1 0 295.430 3.243 50 0 CGAARO [NH3+]Cc1c(Cl)cc(OCC(F)F)cc1Cl ZINC000575442497 377912410 /nfs/dbraw/zinc/91/24/10/377912410.db2.gz XGNLTMAEIKZRBU-UHFFFAOYSA-N 1 0 256.079 3.096 50 0 CGAARO C[C@H](c1nc(-c2cscn2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000278747924 194136168 /nfs/dbraw/zinc/13/61/68/194136168.db2.gz QWGXLZPBLVVKRZ-OPRDCNLKSA-N 1 0 278.381 3.127 50 0 CGAARO CC(C)[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000408519123 380016494 /nfs/dbraw/zinc/01/64/94/380016494.db2.gz AFPJFODFZUXUKY-OIISXLGYSA-N 1 0 288.435 3.155 50 0 CGAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000409421132 380031642 /nfs/dbraw/zinc/03/16/42/380031642.db2.gz MIRAVWJGAMSXAF-MRXNPFEDSA-N 1 0 289.423 3.244 50 0 CGAARO CCOC1CC2(C1)CC[N@H+](Cc1sc(C)nc1C)C2 ZINC000353021774 380079979 /nfs/dbraw/zinc/07/99/79/380079979.db2.gz CPKVFGQDSGSDCN-UHFFFAOYSA-N 1 0 280.437 3.151 50 0 CGAARO COc1ccc([C@@H]([NH2+]CCC[C@@H](C)O)C(C)C)cc1 ZINC000279202663 194330422 /nfs/dbraw/zinc/33/04/22/194330422.db2.gz XMJGCFHMGDDDCE-CJNGLKHVSA-N 1 0 265.397 3.143 50 0 CGAARO Cc1cccn2c(C[N@@H+]3CCCC34CCC4)cnc12 ZINC000365833095 382296507 /nfs/dbraw/zinc/29/65/07/382296507.db2.gz MKZUIOPZRFNOMD-UHFFFAOYSA-N 1 0 255.365 3.161 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH2+]C1CCCC1 ZINC000244734901 256867701 /nfs/dbraw/zinc/86/77/01/256867701.db2.gz NNSJFMSDVCESAL-BZZMCLGOSA-N 1 0 297.483 3.357 50 0 CGAARO Clc1ccccc1CSc1nnc([C@H]2CCC[NH2+]2)o1 ZINC000001277765 169693766 /nfs/dbraw/zinc/69/37/66/169693766.db2.gz OHZPWJQFNQRAMR-LLVKDONJSA-N 1 0 295.795 3.440 50 0 CGAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000006007997 391925573 /nfs/dbraw/zinc/92/55/73/391925573.db2.gz VRDRSBLNJHENCL-MAUKXSAKSA-N 1 0 299.414 3.454 50 0 CGAARO Cc1n[nH]cc1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000097159248 392260998 /nfs/dbraw/zinc/26/09/98/392260998.db2.gz BDTPBMGMFJWCGS-UHFFFAOYSA-N 1 0 283.297 3.069 50 0 CGAARO CC[C@H]([NH3+])c1ccc(OCC(F)(F)F)c(F)c1 ZINC000575436298 542763579 /nfs/dbraw/zinc/76/35/79/542763579.db2.gz DNBDUCJAIMBXRH-VIFPVBQESA-N 1 0 251.223 3.177 50 0 CGAARO CCCCc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC)C2)s1 ZINC000216533791 392991092 /nfs/dbraw/zinc/99/10/92/392991092.db2.gz GBSHVGXZPGHPHY-ZDUSSCGKSA-N 1 0 294.464 3.049 50 0 CGAARO C[C@H]([NH3+])c1cc(OCC(F)(F)F)ccc1Br ZINC000575436553 393198989 /nfs/dbraw/zinc/19/89/89/393198989.db2.gz LDKLBAIETXFXFN-LURJTMIESA-N 1 0 298.102 3.410 50 0 CGAARO Cc1ncsc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773484 393581864 /nfs/dbraw/zinc/58/18/64/393581864.db2.gz UUUIGJUXQHGKIH-UHFFFAOYSA-N 1 0 258.337 3.073 50 0 CGAARO C[N@@H+]1CCCCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000670437726 543154033 /nfs/dbraw/zinc/15/40/33/543154033.db2.gz RHHXSNSYEBFKJC-ZDUSSCGKSA-N 1 0 256.353 3.019 50 0 CGAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1 ZINC000670441164 543154354 /nfs/dbraw/zinc/15/43/54/543154354.db2.gz HWPAANSQSXDMSX-XKBUDEHLSA-N 1 0 257.377 3.342 50 0 CGAARO O[C@H]1/C(=C/c2ccc(C(F)(F)F)cc2)[NH+]2CCC1CC2 ZINC000012957331 296583639 /nfs/dbraw/zinc/58/36/39/296583639.db2.gz WPCZJSSIEMUSDD-RNQWEJQRSA-N 1 0 283.293 3.133 50 0 CGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CCCC1 ZINC000000526079 292355142 /nfs/dbraw/zinc/35/51/42/292355142.db2.gz PLXBGSAVISPBTP-FUHWJXTLSA-N 1 0 298.430 3.320 50 0 CGAARO C[C@@H](c1ccccc1[C@H](O)c1ccccc1)[NH+](C)C ZINC000002904897 169843829 /nfs/dbraw/zinc/84/38/29/169843829.db2.gz LISUDWGNQOAYJR-SUMWQHHRSA-N 1 0 255.361 3.391 50 0 CGAARO COc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000003003195 169848782 /nfs/dbraw/zinc/84/87/82/169848782.db2.gz CTJUFJUWNLQQGI-CQSZACIVSA-N 1 0 263.381 3.196 50 0 CGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCC2)c2ccccc12 ZINC000004189292 169942611 /nfs/dbraw/zinc/94/26/11/169942611.db2.gz OBSQAWMJVSVVPQ-MRXNPFEDSA-N 1 0 286.419 3.151 50 0 CGAARO Cc1ccc(C)c(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004743740 170009671 /nfs/dbraw/zinc/00/96/71/170009671.db2.gz RWRVDPGNLOVBNQ-CQSZACIVSA-N 1 0 274.408 3.364 50 0 CGAARO CC(C)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004841779 170028507 /nfs/dbraw/zinc/02/85/07/170028507.db2.gz HBMBPOJOTSTGJZ-UHFFFAOYSA-N 1 0 263.381 3.339 50 0 CGAARO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000004844483 170029816 /nfs/dbraw/zinc/02/98/16/170029816.db2.gz KAEKDAGXGBKJLT-LBPRGKRZSA-N 1 0 270.376 3.391 50 0 CGAARO C[C@H](NC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000006566718 170214201 /nfs/dbraw/zinc/21/42/01/170214201.db2.gz JTEZTGWSTKDUGH-AWEZNQCLSA-N 1 0 274.408 3.128 50 0 CGAARO CCOc1ccccc1OCCC[NH+](CC)CC ZINC000009261499 170369544 /nfs/dbraw/zinc/36/95/44/170369544.db2.gz SOBBUQNCQPRSHJ-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CCC1 ZINC000012297716 170475348 /nfs/dbraw/zinc/47/53/48/170475348.db2.gz HYFYLLCFGPZXTA-HNNXBMFYSA-N 1 0 278.440 3.090 50 0 CGAARO CC(C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020468319 171210251 /nfs/dbraw/zinc/21/02/51/171210251.db2.gz GIQZSJCJAQZBJF-UHFFFAOYSA-N 1 0 296.414 3.140 50 0 CGAARO [NH3+]CCc1ccccc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020599538 171266502 /nfs/dbraw/zinc/26/65/02/171266502.db2.gz ATLKQULAPWQOBY-UHFFFAOYSA-N 1 0 263.344 3.245 50 0 CGAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000020782044 171272854 /nfs/dbraw/zinc/27/28/54/171272854.db2.gz BDUZKCROPIGEHM-KVMOOHLOSA-N 1 0 284.447 3.475 50 0 CGAARO Fc1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000021475810 171304152 /nfs/dbraw/zinc/30/41/52/171304152.db2.gz XDMOZHOFYLZVHM-UHFFFAOYSA-N 1 0 281.371 3.097 50 0 CGAARO CC1CC[NH+](CCCNc2nc3ccccc3o2)CC1 ZINC000022760084 171397771 /nfs/dbraw/zinc/39/77/71/171397771.db2.gz YHULGSCAIZOERK-UHFFFAOYSA-N 1 0 273.380 3.362 50 0 CGAARO Cc1noc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)n1 ZINC000285274285 196238649 /nfs/dbraw/zinc/23/86/49/196238649.db2.gz DZUVTPNGCQGHNT-QGZVFWFLSA-N 1 0 285.391 3.322 50 0 CGAARO Cc1ccc2cc(C[NH2+]C3(CCO)CCCC3)ccc2n1 ZINC000285517595 196312357 /nfs/dbraw/zinc/31/23/57/196312357.db2.gz OBDYEVRMIFBNRV-UHFFFAOYSA-N 1 0 284.403 3.328 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037317990 173118464 /nfs/dbraw/zinc/11/84/64/173118464.db2.gz DBMFFYZXXMSIGE-SNVBAGLBSA-N 1 0 298.789 3.141 50 0 CGAARO CC[NH+](CC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000040463449 174273017 /nfs/dbraw/zinc/27/30/17/174273017.db2.gz DZEDSAGSTMPGKL-UHFFFAOYSA-N 1 0 268.788 3.237 50 0 CGAARO NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000046089135 175392900 /nfs/dbraw/zinc/39/29/00/175392900.db2.gz HPZAWGQRFNSPDC-HNNXBMFYSA-N 1 0 286.400 3.184 50 0 CGAARO Cc1nc(N(C)C[C@@H](C)C[NH+]2CCCC2)nc2ccccc12 ZINC000067955822 175804454 /nfs/dbraw/zinc/80/44/54/175804454.db2.gz WFEPLLIWKXTTTJ-CQSZACIVSA-N 1 0 298.434 3.106 50 0 CGAARO CC(=O)c1sccc1-c1cccc2c1CC[NH2+]C2 ZINC000071551713 176196725 /nfs/dbraw/zinc/19/67/25/176196725.db2.gz WMZBJAZOUHTAEO-UHFFFAOYSA-N 1 0 257.358 3.263 50 0 CGAARO CC[N@@H+]1CCC[C@@H](c2nccn2CCOc2ccccc2)C1 ZINC000071749720 176259614 /nfs/dbraw/zinc/25/96/14/176259614.db2.gz NPXRJRVUCAQFQW-MRXNPFEDSA-N 1 0 299.418 3.161 50 0 CGAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000071765104 176261723 /nfs/dbraw/zinc/26/17/23/176261723.db2.gz NOJAAVJKIBGVNP-OAHLLOKOSA-N 1 0 287.382 3.394 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(F)c3cccnc23)c1 ZINC000071874924 176284689 /nfs/dbraw/zinc/28/46/89/176284689.db2.gz SLBPCKLROUSDRY-ZDUSSCGKSA-N 1 0 298.365 3.057 50 0 CGAARO Nc1ncccc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000072156336 176328415 /nfs/dbraw/zinc/32/84/15/176328415.db2.gz KCTIYNWBFYQEBB-CQSZACIVSA-N 1 0 271.364 3.374 50 0 CGAARO Cc1cccc(OCC[NH+]2CC(c3cccnc3)C2)c1C ZINC000072171343 176333193 /nfs/dbraw/zinc/33/31/93/176333193.db2.gz MPFAEFOQVJQMNV-UHFFFAOYSA-N 1 0 282.387 3.177 50 0 CGAARO Cc1ccc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nn1 ZINC000072469949 176406374 /nfs/dbraw/zinc/40/63/74/176406374.db2.gz LRCLFOLHCKRFIL-MRXNPFEDSA-N 1 0 288.439 3.242 50 0 CGAARO O=C(Nc1cccc(C[NH2+]Cc2ccsc2)c1)C1CC1 ZINC000048340889 416448477 /nfs/dbraw/zinc/44/84/77/416448477.db2.gz FMFXQLPXXUHNDY-UHFFFAOYSA-N 1 0 286.400 3.386 50 0 CGAARO Cc1ccc(O)c(C[NH2+]C[C@H](Nc2ccccc2)C(C)C)n1 ZINC000118449154 416498909 /nfs/dbraw/zinc/49/89/09/416498909.db2.gz GKUJUJRGHBKVQJ-INIZCTEOSA-N 1 0 299.418 3.322 50 0 CGAARO CCN(C)c1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1 ZINC000725264783 544114194 /nfs/dbraw/zinc/11/41/94/544114194.db2.gz WVZOWXOHZUTNKE-UHFFFAOYSA-N 1 0 272.396 3.031 50 0 CGAARO CC[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576959 260189159 /nfs/dbraw/zinc/18/91/59/260189159.db2.gz UBKKWOVEKSDLMR-QMMMGPOBSA-N 1 0 260.150 3.476 50 0 CGAARO C[NH+](C)C[C@H]1CCc2c3ccccc3ccc2C1=O ZINC000005700715 273801137 /nfs/dbraw/zinc/80/11/37/273801137.db2.gz XUVNFCHKOLMOIG-CYBMUJFWSA-N 1 0 253.345 3.147 50 0 CGAARO COc1c(C[NH2+][C@@H]2CCc3ccccc32)c(C(C)C)nn1C ZINC000058392202 274089709 /nfs/dbraw/zinc/08/97/09/274089709.db2.gz KDNKPCHTSVHUJQ-MRXNPFEDSA-N 1 0 299.418 3.329 50 0 CGAARO C[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(Cl)cc1 ZINC000004845373 274224791 /nfs/dbraw/zinc/22/47/91/274224791.db2.gz RVHYXQDPSBHFRM-WFASDCNBSA-N 1 0 283.799 3.124 50 0 CGAARO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)[C@H](C)n1cccn1 ZINC000071882125 274251833 /nfs/dbraw/zinc/25/18/33/274251833.db2.gz AOBRIIQFHBLWKP-OLZOCXBDSA-N 1 0 298.365 3.310 50 0 CGAARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069703416 274274790 /nfs/dbraw/zinc/27/47/90/274274790.db2.gz PHSYIYILYOJWGI-MLGOLLRUSA-N 1 0 288.366 3.109 50 0 CGAARO C[C@@H](c1ccccn1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000095434327 274278655 /nfs/dbraw/zinc/27/86/55/274278655.db2.gz RSZJGSVHJSLDTO-AWEZNQCLSA-N 1 0 274.408 3.281 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)[C@H]1CCc2cc3ccccc3nc21 ZINC000071771784 275516873 /nfs/dbraw/zinc/51/68/73/275516873.db2.gz AERLBXXSNSSCBZ-GDBMZVCRSA-N 1 0 284.403 3.014 50 0 CGAARO CC[N@@H+]1CCCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000252532944 276165060 /nfs/dbraw/zinc/16/50/60/276165060.db2.gz FMMRWUFINWJQEN-KRWDZBQOSA-N 1 0 276.399 3.231 50 0 CGAARO COc1c(-c2ccccc2)sc2nc(C)cc(C)[n+]21 ZINC000000128007 277779661 /nfs/dbraw/zinc/77/96/61/277779661.db2.gz SOEYZPAQBVBQRJ-UHFFFAOYSA-N 1 0 271.365 3.174 50 0 CGAARO C[C@@H](C1CC1)[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000071856515 278218925 /nfs/dbraw/zinc/21/89/25/278218925.db2.gz HAMUDUVFCGIMRM-DJJJIMSYSA-N 1 0 277.433 3.057 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000097165638 278270572 /nfs/dbraw/zinc/27/05/72/278270572.db2.gz ZXTJZFVDUSQHNH-TUKIKUTGSA-N 1 0 294.826 3.425 50 0 CGAARO CCn1nncc1C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000459541578 288095971 /nfs/dbraw/zinc/09/59/71/288095971.db2.gz WTZQBIWFCIEOQJ-LBPRGKRZSA-N 1 0 298.365 3.441 50 0 CGAARO C[C@H](c1ccc(-c2cnsn2)cc1)[NH+]1CCCC1 ZINC000426518343 279595184 /nfs/dbraw/zinc/59/51/84/279595184.db2.gz PNPDZBPLTHGWMX-LLVKDONJSA-N 1 0 259.378 3.362 50 0 CGAARO CC[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ccccn1 ZINC000534589094 328317340 /nfs/dbraw/zinc/31/73/40/328317340.db2.gz IMXALGAWDATVSU-QGZVFWFLSA-N 1 0 299.418 3.380 50 0 CGAARO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558584 336056194 /nfs/dbraw/zinc/05/61/94/336056194.db2.gz PCOHFNDJPIMCGN-AYDFFVQHSA-N 1 0 257.377 3.070 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013302845 518758505 /nfs/dbraw/zinc/75/85/05/518758505.db2.gz JDRMHRUCDHAVRN-SHARSMKWSA-N 1 0 285.472 3.357 50 0 CGAARO C[C@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000096443346 533948723 /nfs/dbraw/zinc/94/87/23/533948723.db2.gz UQMWDOLXPCVXEC-JTQLQIEISA-N 1 0 277.343 3.400 50 0 CGAARO C[C@H]([NH2+]C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000014134543 525277382 /nfs/dbraw/zinc/27/73/82/525277382.db2.gz NUOHCZRMUBMBQP-VIFPVBQESA-N 1 0 288.313 3.421 50 0 CGAARO COc1cccc(N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000061707505 526155835 /nfs/dbraw/zinc/15/58/35/526155835.db2.gz UBONHTOGHWGNGM-UHFFFAOYSA-N 1 0 288.416 3.079 50 0 CGAARO C[C@H](C[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12)c1ccccc1 ZINC000299872770 567888957 /nfs/dbraw/zinc/88/89/57/567888957.db2.gz HIYCDSVCTRYFJH-NRSFXHEJSA-N 1 0 273.420 3.463 50 0 CGAARO CC(C)C[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C ZINC000299872870 567889033 /nfs/dbraw/zinc/88/90/33/567889033.db2.gz XQQQNSXVHJHKJP-UXLLHSPISA-N 1 0 261.409 3.261 50 0 CGAARO C[C@H](C[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12)c1ccccc1 ZINC000299872768 567889125 /nfs/dbraw/zinc/88/91/25/567889125.db2.gz HIYCDSVCTRYFJH-BGTYHANMSA-N 1 0 273.420 3.463 50 0 CGAARO CCCSc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000952967618 614971035 /nfs/dbraw/zinc/97/10/35/614971035.db2.gz BEOGGIISAKFGIL-HNNXBMFYSA-N 1 0 278.421 3.269 50 0 CGAARO CCSCCNC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000952970896 615360921 /nfs/dbraw/zinc/36/09/21/615360921.db2.gz DVTSDIPLFYDOSC-UHFFFAOYSA-N 1 0 298.496 3.045 50 0 CGAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000003154185 618768332 /nfs/dbraw/zinc/76/83/32/618768332.db2.gz ZYXBLRKPGWIWAU-MRXNPFEDSA-N 1 0 278.440 3.232 50 0 CGAARO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cnc[nH]1 ZINC000112343576 618961858 /nfs/dbraw/zinc/96/18/58/618961858.db2.gz ZXAIAMNHGGFSLE-ZDUSSCGKSA-N 1 0 257.381 3.256 50 0 CGAARO [NH3+][C@@H](c1ccc(F)cc1)C1(O)CCCCCCC1 ZINC000958528202 640826917 /nfs/dbraw/zinc/82/69/17/640826917.db2.gz NXJVBTQXUCLXSU-AWEZNQCLSA-N 1 0 251.345 3.301 50 0 CGAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000098009491 640890310 /nfs/dbraw/zinc/89/03/10/640890310.db2.gz CGGIHWNBIZSMDI-BIRHUZIMSA-N 1 0 269.392 3.401 50 0 CGAARO CC/C(=C\C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccc(C)cc1 ZINC000585086680 799675749 /nfs/dbraw/zinc/67/57/49/799675749.db2.gz TZEUOOXRENWJPS-NZFOCEBUSA-N 1 0 286.419 3.127 50 0 CGAARO Cn1cnnc1C[NH2+]CC1CCC2(CCCCC2)CC1 ZINC000585118253 799678123 /nfs/dbraw/zinc/67/81/23/799678123.db2.gz IGTWNMQIHCYQHM-UHFFFAOYSA-N 1 0 276.428 3.045 50 0 CGAARO CCN(CC)C[C@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000823076028 800465161 /nfs/dbraw/zinc/46/51/61/800465161.db2.gz LXIBBZUOSYLDLU-HZPDHXFCSA-N 1 0 250.430 3.149 50 0 CGAARO CN1CC[N@H+](CCCCOCc2ccccc2)CC1(C)C ZINC000823783576 800468931 /nfs/dbraw/zinc/46/89/31/800468931.db2.gz HAZUHNBQTXKEQE-UHFFFAOYSA-N 1 0 290.451 3.009 50 0 CGAARO COc1cc(C[NH+]2CC=CC2)ccc1OCC=C(C)C ZINC000824609403 800471345 /nfs/dbraw/zinc/47/13/45/800471345.db2.gz RBZVHVRVDYWXGT-UHFFFAOYSA-N 1 0 273.376 3.412 50 0 CGAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(Cc1cc(Cl)ccc1F)C2 ZINC000825512874 800474712 /nfs/dbraw/zinc/47/47/12/800474712.db2.gz SIVWXJFWQHFUAN-WFASDCNBSA-N 1 0 296.817 3.395 50 0 CGAARO C[C@@H]([NH2+]Cc1cccc2nonc21)C1=CCCCC1 ZINC000952863882 800684601 /nfs/dbraw/zinc/68/46/01/800684601.db2.gz XDBDJGDMVBVFGV-LLVKDONJSA-N 1 0 257.337 3.201 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000409421082 932025692 /nfs/dbraw/zinc/02/56/92/932025692.db2.gz FWFMWDVEHHPBKX-AWEZNQCLSA-N 1 0 299.374 3.139 50 0 CGAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000409420849 932026521 /nfs/dbraw/zinc/02/65/21/932026521.db2.gz VKHNVXNFMLRSID-KRWDZBQOSA-N 1 0 297.402 3.286 50 0 CGAARO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc2ccc(F)cc12 ZINC001506395800 937989459 /nfs/dbraw/zinc/98/94/59/937989459.db2.gz HJQFURXFGWMREF-ZDUSSCGKSA-N 1 0 287.382 3.070 50 0 CGAARO CC[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC001506405217 937989701 /nfs/dbraw/zinc/98/97/01/937989701.db2.gz MBKXKUSBFDJGMF-SFHVURJKSA-N 1 0 299.418 3.380 50 0 CGAARO CCc1nc(C)c(C[NH2+]Cc2cc3cc(OC)ccc3[nH]2)[nH]1 ZINC001506429627 937990136 /nfs/dbraw/zinc/99/01/36/937990136.db2.gz SKBLHDJTIKSKLE-UHFFFAOYSA-N 1 0 298.390 3.060 50 0 CGAARO CCc1cnc(C)nc1NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001529145270 938071274 /nfs/dbraw/zinc/07/12/74/938071274.db2.gz GCHLYXXSYFBNEX-KRWDZBQOSA-N 1 0 298.434 3.371 50 0 CGAARO c1cc(C[NH2+][C@H]2CCSC2)cc(N2CCCCCC2)n1 ZINC000096477323 230379682 /nfs/dbraw/zinc/37/96/82/230379682.db2.gz NUPDSLZKQSLXGM-HNNXBMFYSA-N 1 0 291.464 3.057 50 0 CGAARO C[C@H](c1ccc(-c2nc(CO)cs2)cc1)[NH+]1CCCC1 ZINC000426534481 230422235 /nfs/dbraw/zinc/42/22/35/230422235.db2.gz PMXYAMFPVGBDPF-GFCCVEGCSA-N 1 0 288.416 3.459 50 0 CGAARO COC(=O)CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000095707322 185018000 /nfs/dbraw/zinc/01/80/00/185018000.db2.gz YKGUTIOZGWBZNC-UHFFFAOYSA-N 1 0 295.382 3.271 50 0 CGAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000095962409 185044348 /nfs/dbraw/zinc/04/43/48/185044348.db2.gz SRZBKDSJHLCOTP-ZDUSSCGKSA-N 1 0 271.408 3.239 50 0 CGAARO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000095967489 185047085 /nfs/dbraw/zinc/04/70/85/185047085.db2.gz VTYBVPSWJLWKPT-SJORKVTESA-N 1 0 288.435 3.107 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(SC(F)F)cc1 ZINC000095968677 185047602 /nfs/dbraw/zinc/04/76/02/185047602.db2.gz NCPNPNNHBYPELA-DTWKUNHWSA-N 1 0 261.337 3.033 50 0 CGAARO OCC[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000095984409 185055138 /nfs/dbraw/zinc/05/51/38/185055138.db2.gz HJHVKDRSKBFZBA-MRXNPFEDSA-N 1 0 277.314 3.178 50 0 CGAARO C[C@H]([NH2+]CCn1ccnc1)c1ccc(-c2cccnc2)cc1 ZINC000095985865 185055744 /nfs/dbraw/zinc/05/57/44/185055744.db2.gz MPZDCPFQIFFWDX-HNNXBMFYSA-N 1 0 292.386 3.296 50 0 CGAARO Cc1cc(-c2ccc(-c3c[nH]c(N)[nH+]3)cc2)ccn1 ZINC000096132163 185104937 /nfs/dbraw/zinc/10/49/37/185104937.db2.gz QOKACWPTIKCYCK-UHFFFAOYSA-N 1 0 250.305 3.029 50 0 CGAARO CCc1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2)on1 ZINC000096478218 529528334 /nfs/dbraw/zinc/52/83/34/529528334.db2.gz CXWJVDWMQDASFS-NSHDSACASA-N 1 0 262.328 3.097 50 0 CGAARO C[NH2+]CCCOc1ccc(Br)cc1Cl ZINC000002845311 529971879 /nfs/dbraw/zinc/97/18/79/529971879.db2.gz UTTFWSIKTIHQLM-UHFFFAOYSA-N 1 0 278.577 3.091 50 0 CGAARO COc1ccc(Sc2ccccc2C[NH3+])c(OC)c1 ZINC000033902178 344937212 /nfs/dbraw/zinc/93/72/12/344937212.db2.gz UBIKDHMTSYKIRG-UHFFFAOYSA-N 1 0 275.373 3.314 50 0 CGAARO C[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCN1[C@H]1C=CCCC1 ZINC000071907859 345405617 /nfs/dbraw/zinc/40/56/17/345405617.db2.gz WMMCZZMVJCNODN-ULQDDVLXSA-N 1 0 260.425 3.210 50 0 CGAARO CCCOC(=O)[C@@H](c1ccccc1)N1CCCCC1 ZINC000096026357 345901227 /nfs/dbraw/zinc/90/12/27/345901227.db2.gz LBCDCBMJWMCPNG-OAHLLOKOSA-N 1 0 261.365 3.167 50 0 CGAARO CCOC(=O)[C@@]1(c2ccccc2)CCC=C(C)[C@@H]1[NH+](C)C ZINC000096028032 345901687 /nfs/dbraw/zinc/90/16/87/345901687.db2.gz ACMGZYOBXCPVDH-FUHWJXTLSA-N 1 0 287.403 3.158 50 0 CGAARO O=C(CCC[NH2+]CCOc1ccccc1)c1ccccc1 ZINC000096027273 345901797 /nfs/dbraw/zinc/90/17/97/345901797.db2.gz XYFUVBGHONENFM-UHFFFAOYSA-N 1 0 283.371 3.318 50 0 CGAARO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CCC(=O)c1ccccc1 ZINC000096026511 345901976 /nfs/dbraw/zinc/90/19/76/345901976.db2.gz ZKLHFLNDKHNOSE-KXBFYZLASA-N 1 0 297.398 3.313 50 0 CGAARO CCC[N@@H+]1CCCC[C@H]1c1nncn1-c1ccccc1 ZINC000097941592 345909409 /nfs/dbraw/zinc/90/94/09/345909409.db2.gz PNNDZLVQHDTLID-HNNXBMFYSA-N 1 0 270.380 3.204 50 0 CGAARO COC1(C[NH2+]C2CC(c3cccc(C)c3)C2)CCOCC1 ZINC000154273684 346148440 /nfs/dbraw/zinc/14/84/40/346148440.db2.gz OTYWMTBCBXBBCU-UHFFFAOYSA-N 1 0 289.419 3.026 50 0 CGAARO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170607485 346194895 /nfs/dbraw/zinc/19/48/95/346194895.db2.gz UHVIJHIHMJUMTK-JJXSEGSLSA-N 1 0 293.451 3.224 50 0 CGAARO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1O ZINC000194992256 346272016 /nfs/dbraw/zinc/27/20/16/346272016.db2.gz JGRMUGFLDRYDSS-XJKSGUPXSA-N 1 0 298.386 3.379 50 0 CGAARO c1cc(N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)cc[nH+]1 ZINC000220569710 346295927 /nfs/dbraw/zinc/29/59/27/346295927.db2.gz UOBJAZONZSRDIK-JJXSEGSLSA-N 1 0 258.365 3.087 50 0 CGAARO O=C(CCC[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000085388652 179047195 /nfs/dbraw/zinc/04/71/95/179047195.db2.gz UVKSISHVBLZHKC-UHFFFAOYSA-N 1 0 253.292 3.024 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248163741 346374397 /nfs/dbraw/zinc/37/43/97/346374397.db2.gz SOMIQBUNLJYMMR-FDYHWXHSSA-N 1 0 271.470 3.310 50 0 CGAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000085630489 179107751 /nfs/dbraw/zinc/10/77/51/179107751.db2.gz GYUUXNKKYVEWHG-FPCVCCKLSA-N 1 0 257.377 3.077 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000409421161 346605309 /nfs/dbraw/zinc/60/53/09/346605309.db2.gz SHUFMBUPNLKXQB-INIZCTEOSA-N 1 0 299.418 3.199 50 0 CGAARO Cc1nccn1C[C@@H](C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 ZINC000584895426 346722763 /nfs/dbraw/zinc/72/27/63/346722763.db2.gz XXFYMVOLHGLWMH-LLVKDONJSA-N 1 0 291.345 3.137 50 0 CGAARO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccnc2CO)c1 ZINC000585133977 346724182 /nfs/dbraw/zinc/72/41/82/346724182.db2.gz PMMGLYWSKCTJPT-AWEZNQCLSA-N 1 0 282.387 3.225 50 0 CGAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000086279098 179263045 /nfs/dbraw/zinc/26/30/45/179263045.db2.gz GUGVXXYYIJHZKB-CQSZACIVSA-N 1 0 292.386 3.427 50 0 CGAARO c1ccc(CO[C@@H]2CCCC[C@@H]2[NH2+]C2CCOCC2)cc1 ZINC000090602991 180011093 /nfs/dbraw/zinc/01/10/93/180011093.db2.gz KFMLOWQHEPPZAR-ZWKOTPCHSA-N 1 0 289.419 3.283 50 0 CGAARO CC1(C)CCC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090660281 180019742 /nfs/dbraw/zinc/01/97/42/180019742.db2.gz UUWAALNXEXWHDW-CQSZACIVSA-N 1 0 285.391 3.447 50 0 CGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(F)cc1Cl)C2 ZINC000091848721 180271041 /nfs/dbraw/zinc/27/10/41/180271041.db2.gz TXSZOFFSZCDFMZ-SMDDNHRTSA-N 1 0 282.790 3.005 50 0 CGAARO Cc1nc(C)c(C)c(N(C)Cc2cccc(C[NH+](C)C)c2)n1 ZINC000091997315 180302841 /nfs/dbraw/zinc/30/28/41/180302841.db2.gz LDRYCCSCLIYIEM-UHFFFAOYSA-N 1 0 298.434 3.100 50 0 CGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420940968 235776674 /nfs/dbraw/zinc/77/66/74/235776674.db2.gz FAUVIRFFLISGMS-GFCCVEGCSA-N 1 0 289.345 3.201 50 0 CGAARO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000182784360 189334806 /nfs/dbraw/zinc/33/48/06/189334806.db2.gz JEQRKGAZQHWRDD-WBVHZDCISA-N 1 0 269.392 3.151 50 0 CGAARO CCc1ccc([C@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000000140546 368301329 /nfs/dbraw/zinc/30/13/29/368301329.db2.gz WYZSWNVETMWLSL-LJQANCHMSA-N 1 0 295.382 3.255 50 0 CGAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc(F)c(F)c1 ZINC000000176248 368309201 /nfs/dbraw/zinc/30/92/01/368309201.db2.gz XCUBYUZDGKBPOH-UHFFFAOYSA-N 1 0 282.334 3.169 50 0 CGAARO Cc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000000277331 368330303 /nfs/dbraw/zinc/33/03/03/368330303.db2.gz IUBPKAQOGIZZMD-UHFFFAOYSA-N 1 0 280.415 3.360 50 0 CGAARO Brc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000431502 368363906 /nfs/dbraw/zinc/36/39/06/368363906.db2.gz PDUKJODPFIFHNK-UHFFFAOYSA-N 1 0 284.197 3.314 50 0 CGAARO CC[NH+]1CCC(Nc2ccc(SC)cc2)CC1 ZINC000000758151 368394635 /nfs/dbraw/zinc/39/46/35/368394635.db2.gz LAOBCHGUMNEHNS-UHFFFAOYSA-N 1 0 250.411 3.305 50 0 CGAARO Cc1cc2oc(=O)cc(C[N@H+]3CCCC[C@H]3C)c2cc1O ZINC000002123702 368447007 /nfs/dbraw/zinc/44/70/07/368447007.db2.gz RQUGNXHNRZZRAX-GFCCVEGCSA-N 1 0 287.359 3.181 50 0 biogenic CGAARO CC(C)CCC[C@@H](C)N(C)C(=O)C[NH+]1CCCCC1 ZINC000002168165 368448346 /nfs/dbraw/zinc/44/83/46/368448346.db2.gz MOKJCTAYBPCUOP-OAHLLOKOSA-N 1 0 268.445 3.146 50 0 CGAARO CCCOc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000002191184 368449717 /nfs/dbraw/zinc/44/97/17/368449717.db2.gz DMYZPOWDKWCBMC-UHFFFAOYSA-N 1 0 263.381 3.386 50 0 CGAARO O[C@@H](C[NH2+]C1CCCCCCC1)COc1ccccc1F ZINC000002638955 368470652 /nfs/dbraw/zinc/47/06/52/368470652.db2.gz RCJDGFYKBIFNTN-HNNXBMFYSA-N 1 0 295.398 3.268 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000002650477 368470836 /nfs/dbraw/zinc/47/08/36/368470836.db2.gz LZHKJGDGNDVNAT-QGZVFWFLSA-N 1 0 291.435 3.083 50 0 CGAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000002686911 368473084 /nfs/dbraw/zinc/47/30/84/368473084.db2.gz CUDWOFARGHVODJ-WMZOPIPTSA-N 1 0 299.414 3.394 50 0 CGAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)c1ccccc1 ZINC000002756172 368475003 /nfs/dbraw/zinc/47/50/03/368475003.db2.gz DDTCBXVTEDGSHI-INIZCTEOSA-N 1 0 276.424 3.028 50 0 CGAARO C[NH+](C)CCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000002310873 368451511 /nfs/dbraw/zinc/45/15/11/368451511.db2.gz SVZDHOZKTJDULF-UHFFFAOYSA-N 1 0 298.386 3.160 50 0 CGAARO OCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002846209 368481018 /nfs/dbraw/zinc/48/10/18/368481018.db2.gz GKTWLVRDKNIZAP-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO CC(C)(C)[NH2+]CCOc1ccccc1Br ZINC000002932018 368486142 /nfs/dbraw/zinc/48/61/42/368486142.db2.gz YCLPIZMPEFFMHT-UHFFFAOYSA-N 1 0 272.186 3.216 50 0 CGAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000004525060 368549874 /nfs/dbraw/zinc/54/98/74/368549874.db2.gz OCFLFQDQCLZABG-FMKPAKJESA-N 1 0 275.392 3.351 50 0 CGAARO C[C@@H](CC(=O)Nc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000004579029 368551463 /nfs/dbraw/zinc/55/14/63/368551463.db2.gz ZJMPXXSPWMRTMS-KGLIPLIRSA-N 1 0 260.381 3.278 50 0 CGAARO Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000007811608 368572012 /nfs/dbraw/zinc/57/20/12/368572012.db2.gz PENUHVRODHXGRI-OKILXGFUSA-N 1 0 274.408 3.220 50 0 CGAARO CC[NH+]1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000011006432 368587592 /nfs/dbraw/zinc/58/75/92/368587592.db2.gz ODYZIEXMBWUGGU-UHFFFAOYSA-N 1 0 297.402 3.446 50 0 CGAARO CCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731550 368664481 /nfs/dbraw/zinc/66/44/81/368664481.db2.gz UJFPOERADWQARH-UHFFFAOYSA-N 1 0 257.337 3.159 50 0 CGAARO Fc1cccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000011936596 368601354 /nfs/dbraw/zinc/60/13/54/368601354.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 1 0 287.382 3.394 50 0 CGAARO O=C(NCCC[NH+]1CCCCCC1)Nc1ccccc1 ZINC000013670708 368660778 /nfs/dbraw/zinc/66/07/78/368660778.db2.gz WZQPKQXHNNYUDC-UHFFFAOYSA-N 1 0 275.396 3.074 50 0 CGAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000014631240 368683240 /nfs/dbraw/zinc/68/32/40/368683240.db2.gz DPVFPTSVZDUJOZ-GFCCVEGCSA-N 1 0 253.773 3.335 50 0 CGAARO c1ccc(Cc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631768 368683719 /nfs/dbraw/zinc/68/37/19/368683719.db2.gz OIWXGWDXIVFCBN-GOSISDBHSA-N 1 0 267.372 3.408 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000017319504 368731287 /nfs/dbraw/zinc/73/12/87/368731287.db2.gz JHAOPKAYAKFOTI-GFCCVEGCSA-N 1 0 272.348 3.397 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000017317852 368731394 /nfs/dbraw/zinc/73/13/94/368731394.db2.gz PXAQBVXTVOBUKF-UHFFFAOYSA-N 1 0 286.350 3.116 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1ccc(F)cc1 ZINC000019720780 368762062 /nfs/dbraw/zinc/76/20/62/368762062.db2.gz RNVFOGYAMYRGIN-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(SC)cc2)CC1 ZINC000019842556 368771917 /nfs/dbraw/zinc/77/19/17/368771917.db2.gz FJCBWLTZZOTKPY-CQSZACIVSA-N 1 0 278.465 3.325 50 0 CGAARO C(C1CCCCC1)[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000020906899 368808528 /nfs/dbraw/zinc/80/85/28/368808528.db2.gz QTVQBXQKRJVCNJ-INIZCTEOSA-N 1 0 250.430 3.127 50 0 CGAARO Cc1n[nH]c(C)c1C[N@H+](C)CCCCc1ccccc1 ZINC000019958411 368789378 /nfs/dbraw/zinc/78/93/78/368789378.db2.gz DBBQBIMDNKIAGN-UHFFFAOYSA-N 1 0 271.408 3.481 50 0 CGAARO [NH3+][C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000019972334 368792454 /nfs/dbraw/zinc/79/24/54/368792454.db2.gz UXJHXOOPEBTWIY-LBPRGKRZSA-N 1 0 252.239 3.149 50 0 CGAARO COc1ccc2[nH]cc([C@H](C[NH3+])c3ccccc3)c2c1 ZINC000026512779 368861575 /nfs/dbraw/zinc/86/15/75/368861575.db2.gz XIXHVFMEHBEOCF-OAHLLOKOSA-N 1 0 266.344 3.267 50 0 CGAARO Clc1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000028522182 368886010 /nfs/dbraw/zinc/88/60/10/368886010.db2.gz OYHVVJJVWJBNCQ-CQSZACIVSA-N 1 0 253.773 3.389 50 0 CGAARO C[NH+](C)Cc1cccc(CNc2ncnc3ccsc32)c1 ZINC000025568187 368848902 /nfs/dbraw/zinc/84/89/02/368848902.db2.gz BSZXNYYYKOKUSR-UHFFFAOYSA-N 1 0 298.415 3.365 50 0 CGAARO Cc1cc(C)c(OCC[NH2+][C@H]2CCSC2)c(C)c1 ZINC000032507918 368934757 /nfs/dbraw/zinc/93/47/57/368934757.db2.gz GYGQQUHHPYSTQD-AWEZNQCLSA-N 1 0 265.422 3.086 50 0 CGAARO C[C@H](NC(=O)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000035587964 369003045 /nfs/dbraw/zinc/00/30/45/369003045.db2.gz BSEBOXRPIWDTLS-YOEHRIQHSA-N 1 0 282.387 3.108 50 0 CGAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036096871 369008731 /nfs/dbraw/zinc/00/87/31/369008731.db2.gz QMMDUSWCLCHSAN-GOSISDBHSA-N 1 0 299.414 3.337 50 0 CGAARO Brc1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042772148 369231390 /nfs/dbraw/zinc/23/13/90/369231390.db2.gz FVTOXVDXDYWZDL-NSHDSACASA-N 1 0 284.197 3.218 50 0 CGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049590123 369411248 /nfs/dbraw/zinc/41/12/48/369411248.db2.gz ZSIJQKNFGDQLHE-QGZVFWFLSA-N 1 0 282.387 3.054 50 0 CGAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000057392083 369537801 /nfs/dbraw/zinc/53/78/01/369537801.db2.gz ZFHXZHJKHYIVBA-KGLIPLIRSA-N 1 0 298.386 3.373 50 0 CGAARO CC(C)C[N@H+](Cc1ccccn1)Cc1cccc2c1OCO2 ZINC000055282439 369513444 /nfs/dbraw/zinc/51/34/44/369513444.db2.gz IFECZKWFGZNKIJ-UHFFFAOYSA-N 1 0 298.386 3.469 50 0 CGAARO CCOc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543138 369519367 /nfs/dbraw/zinc/51/93/67/369519367.db2.gz LFGVHFWKWUFZHO-UHFFFAOYSA-N 1 0 296.414 3.408 50 0 CGAARO Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000055544012 369520249 /nfs/dbraw/zinc/52/02/49/369520249.db2.gz YLMMCVGUYQFJAU-UHFFFAOYSA-N 1 0 266.388 3.317 50 0 CGAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000056503213 369526211 /nfs/dbraw/zinc/52/62/11/369526211.db2.gz WVXBPBROOHOSGF-CHWSQXEVSA-N 1 0 293.386 3.068 50 0 CGAARO Clc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000058405009 369567631 /nfs/dbraw/zinc/56/76/31/369567631.db2.gz ZAFQJTKCXQAWKZ-UHFFFAOYSA-N 1 0 264.800 3.010 50 0 CGAARO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000058439744 369568521 /nfs/dbraw/zinc/56/85/21/369568521.db2.gz YIJWSZWBPQDDMI-SFHVURJKSA-N 1 0 299.418 3.252 50 0 CGAARO CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065286097 369666949 /nfs/dbraw/zinc/66/69/49/369666949.db2.gz VPFYNEJUYJGGPQ-CYBMUJFWSA-N 1 0 272.352 3.069 50 0 CGAARO Cc1nc[nH]c1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000065394110 369672600 /nfs/dbraw/zinc/67/26/00/369672600.db2.gz GYPMIWKMSKYVTA-MRXNPFEDSA-N 1 0 255.365 3.228 50 0 CGAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2cccs2)C1 ZINC000065396794 369672808 /nfs/dbraw/zinc/67/28/08/369672808.db2.gz DOWUFGIJFJKUBL-MRXNPFEDSA-N 1 0 273.401 3.150 50 0 CGAARO C[C@H](Cc1ccccn1)[N@H+](C)C1Cc2ccccc2C1 ZINC000065399352 369674714 /nfs/dbraw/zinc/67/47/14/369674714.db2.gz PLGDCVKNZAHKTK-CQSZACIVSA-N 1 0 266.388 3.112 50 0 CGAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000065426605 369676074 /nfs/dbraw/zinc/67/60/74/369676074.db2.gz JTVRTOVYXHMNBA-HNNXBMFYSA-N 1 0 292.386 3.460 50 0 CGAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1ccc2nonc2c1 ZINC000067741552 369727296 /nfs/dbraw/zinc/72/72/96/369727296.db2.gz ZKSUFQVTJRBUCO-INIZCTEOSA-N 1 0 282.347 3.201 50 0 CGAARO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000067725259 369727349 /nfs/dbraw/zinc/72/73/49/369727349.db2.gz CXEIKQRAZVDNSY-MRXNPFEDSA-N 1 0 268.360 3.123 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1nncn1C1CCCCC1 ZINC000067804136 369730447 /nfs/dbraw/zinc/73/04/47/369730447.db2.gz POHGTHVIJIKIJP-GFCCVEGCSA-N 1 0 282.457 3.015 50 0 CGAARO Cc1ccccc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000072422030 369819362 /nfs/dbraw/zinc/81/93/62/369819362.db2.gz LIUXJUZOXASSOV-UHFFFAOYSA-N 1 0 282.387 3.433 50 0 CGAARO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C1CCOCC1 ZINC000072480856 369822713 /nfs/dbraw/zinc/82/27/13/369822713.db2.gz NVACEOUAYLHDIQ-UHFFFAOYSA-N 1 0 291.435 3.001 50 0 CGAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2nc3ccccc3s2)c1 ZINC000069949273 369775158 /nfs/dbraw/zinc/77/51/58/369775158.db2.gz XLDHBXVYYCUHFG-CYBMUJFWSA-N 1 0 298.415 3.157 50 0 CGAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)cc1OC ZINC000069972260 369776760 /nfs/dbraw/zinc/77/67/60/369776760.db2.gz RNTAAVPULSORQC-INIZCTEOSA-N 1 0 298.386 3.436 50 0 CGAARO FC(F)(F)c1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000070458763 369801330 /nfs/dbraw/zinc/80/13/30/369801330.db2.gz PULOKOXWPGSBCU-SNVBAGLBSA-N 1 0 283.253 3.180 50 0 CGAARO CCSC[C@H](C)[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000072903151 369843735 /nfs/dbraw/zinc/84/37/35/369843735.db2.gz CGWKFRGVUTXPRL-LBPRGKRZSA-N 1 0 280.437 3.218 50 0 CGAARO CCSc1ccccc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000072995828 369848040 /nfs/dbraw/zinc/84/80/40/369848040.db2.gz RXPNXIBTFHWNMR-LBPRGKRZSA-N 1 0 278.421 3.079 50 0 CGAARO O[C@H]1CCC12C[NH+](C(c1ccccc1)c1ccccc1)C2 ZINC000074938391 369891295 /nfs/dbraw/zinc/89/12/95/369891295.db2.gz JMBMIGJCORKXEN-KRWDZBQOSA-N 1 0 279.383 3.233 50 0 CGAARO Fc1cccc(Cl)c1C[NH2+]C[C@@H]1CSCCS1 ZINC000075109937 369895761 /nfs/dbraw/zinc/89/57/61/369895761.db2.gz ILLBBQAPQFDGDK-SECBINFHSA-N 1 0 291.844 3.417 50 0 CGAARO CC(C)[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCC1 ZINC000075145345 369896396 /nfs/dbraw/zinc/89/63/96/369896396.db2.gz RLVBPOGKTKLESS-UHFFFAOYSA-N 1 0 271.364 3.500 50 0 CGAARO CC(C)(C)CC(C)(C)NC1=[NH+]CCN[C@H]1C(C)(C)C ZINC000075567186 369914260 /nfs/dbraw/zinc/91/42/60/369914260.db2.gz MMRQJPPZSJKHDC-GFCCVEGCSA-N 1 0 267.461 3.207 50 0 CGAARO CC[C@H](C[NH2+]Cc1cscn1)Oc1cccc(F)c1 ZINC000084674769 370015169 /nfs/dbraw/zinc/01/51/69/370015169.db2.gz FAPWANHAJAXOSI-CYBMUJFWSA-N 1 0 280.368 3.229 50 0 CGAARO CN1CC[C@@H]([NH2+]Cc2cc[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089808462 370047833 /nfs/dbraw/zinc/04/78/33/370047833.db2.gz BSYMGZQRIWDMRZ-CVEARBPZSA-N 1 0 289.810 3.203 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCCCO1 ZINC000080068330 369982925 /nfs/dbraw/zinc/98/29/25/369982925.db2.gz XQMJHFSANGEEAP-CQSZACIVSA-N 1 0 259.349 3.434 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1F ZINC000090533769 370062256 /nfs/dbraw/zinc/06/22/56/370062256.db2.gz JHGUKCNLFFSJRP-CMPLNLGQSA-N 1 0 291.370 3.148 50 0 CGAARO c1cnn(CCC[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000089857812 370049409 /nfs/dbraw/zinc/04/94/09/370049409.db2.gz OUACBJQTLMHQGV-CQSZACIVSA-N 1 0 273.405 3.100 50 0 CGAARO COc1cccc(F)c1[C@H](C)[NH2+]CCc1ccccn1 ZINC000095419137 370186370 /nfs/dbraw/zinc/18/63/70/370186370.db2.gz GJGCPAMCHVGZJP-LBPRGKRZSA-N 1 0 274.339 3.123 50 0 CGAARO Cc1ccnc(NC[C@H](c2ccccc2)[NH+]2CCCCC2)n1 ZINC000095382320 370181494 /nfs/dbraw/zinc/18/14/94/370181494.db2.gz SVMDTWRFIITMMJ-QGZVFWFLSA-N 1 0 296.418 3.424 50 0 CGAARO Cc1nnc(C[N@@H+](C)[C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000097047210 370218500 /nfs/dbraw/zinc/21/85/00/370218500.db2.gz VHNIUVFRQOXMAI-CVEARBPZSA-N 1 0 285.391 3.221 50 0 CGAARO COCc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000097113661 370227935 /nfs/dbraw/zinc/22/79/35/370227935.db2.gz ADPHFKJUEUQNHG-AWEZNQCLSA-N 1 0 270.376 3.421 50 0 CGAARO CCn1nccc1C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000097146841 370231081 /nfs/dbraw/zinc/23/10/81/370231081.db2.gz TYLUGPVPNLGXHA-LBPRGKRZSA-N 1 0 289.427 3.014 50 0 CGAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202885 370233061 /nfs/dbraw/zinc/23/30/61/370233061.db2.gz RHGGOWAYYWFRHB-LBPRGKRZSA-N 1 0 273.355 3.489 50 0 CGAARO CC(C)[NH+]1CCC(Nc2cccc(OCCF)c2)CC1 ZINC000097238231 370236892 /nfs/dbraw/zinc/23/68/92/370236892.db2.gz VHXFLFLSSCILID-UHFFFAOYSA-N 1 0 280.387 3.320 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000097514277 370245917 /nfs/dbraw/zinc/24/59/17/370245917.db2.gz PXOGUCSQBTZAAW-CYBMUJFWSA-N 1 0 285.334 3.289 50 0 CGAARO CCc1nc(C)c(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)[nH]1 ZINC000097694686 370251161 /nfs/dbraw/zinc/25/11/61/370251161.db2.gz RQYIKZBFMWXZCL-CYBMUJFWSA-N 1 0 286.423 3.047 50 0 CGAARO COC[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C1CC1 ZINC000095419307 370187055 /nfs/dbraw/zinc/18/70/55/370187055.db2.gz HGJFAVVCRMVBFC-ROUUACIJSA-N 1 0 282.387 3.186 50 0 CGAARO CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1OC(F)F ZINC000095419521 370187242 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CO[C@H](C)c1noc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000095466597 370198574 /nfs/dbraw/zinc/19/85/74/370198574.db2.gz XRPWXTUCVVCVCM-YIYPIFLZSA-N 1 0 295.427 3.327 50 0 CGAARO CSc1cccc(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000097756395 370251969 /nfs/dbraw/zinc/25/19/69/370251969.db2.gz UISIJOPYLHAIKN-OAHLLOKOSA-N 1 0 278.465 3.325 50 0 CGAARO COc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000101771954 370294909 /nfs/dbraw/zinc/29/49/09/370294909.db2.gz QTEPPUOVUCXBTM-UONOGXRCSA-N 1 0 263.381 3.052 50 0 CGAARO Cn1c(C=CNc2ccccc2)[o+]c2ccccc21 ZINC000102310675 370301380 /nfs/dbraw/zinc/30/13/80/370301380.db2.gz PKXLNYFVPPQIKL-UHFFFAOYSA-O 1 0 251.309 3.340 50 0 CGAARO CC(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000135590230 371438378 /nfs/dbraw/zinc/43/83/78/371438378.db2.gz YRZIRTYVZPSPFE-UHFFFAOYSA-N 1 0 289.419 3.191 50 0 CGAARO CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000149774040 371529356 /nfs/dbraw/zinc/52/93/56/371529356.db2.gz NCEDUXLAFWXGSE-GFCCVEGCSA-N 1 0 297.240 3.148 50 0 CGAARO COc1ccc([C@@H]([NH2+]Cc2snnc2C)C(C)C)cc1 ZINC000293352027 372362246 /nfs/dbraw/zinc/36/22/46/372362246.db2.gz HAQPPFVDPSVLNU-HNNXBMFYSA-N 1 0 291.420 3.342 50 0 CGAARO COc1ccc(CCC[N@H+](C)[C@H](C)c2cnccn2)cc1 ZINC000170596949 372642184 /nfs/dbraw/zinc/64/21/84/372642184.db2.gz PHOIPROARKMBRT-CQSZACIVSA-N 1 0 285.391 3.111 50 0 CGAARO c1cc([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)n[nH]1 ZINC000182250808 374246326 /nfs/dbraw/zinc/24/63/26/374246326.db2.gz XLJFWSCUZCLSPO-QGZVFWFLSA-N 1 0 299.418 3.196 50 0 CGAARO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000081599722 541926584 /nfs/dbraw/zinc/92/65/84/541926584.db2.gz UXDOHWFSWHTFBK-JTQLQIEISA-N 1 0 264.394 3.416 50 0 CGAARO O=C1NC(=O)[C@@]2(CCC[C@@H]2C[NH2+]C2CCCCCCC2)N1 ZINC000328595657 374368497 /nfs/dbraw/zinc/36/84/97/374368497.db2.gz ZVORMGMLWQCCHT-WBMJQRKESA-N 1 0 293.411 3.112 50 0 CGAARO [NH3+]Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000082699670 541929429 /nfs/dbraw/zinc/92/94/29/541929429.db2.gz XNTNFSWPTFKKAV-UHFFFAOYSA-N 1 0 283.356 3.007 50 0 CGAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc2ccccc2s1 ZINC000084721139 541935244 /nfs/dbraw/zinc/93/52/44/541935244.db2.gz DOLRFKDSMVBTSP-HNNXBMFYSA-N 1 0 292.404 3.118 50 0 CGAARO C[C@H](CN1CCCCCC1)[NH2+]Cc1cccs1 ZINC000187564677 375042047 /nfs/dbraw/zinc/04/20/47/375042047.db2.gz KOYGMWGMEZNVGF-CYBMUJFWSA-N 1 0 252.427 3.102 50 0 CGAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000195541247 376111982 /nfs/dbraw/zinc/11/19/82/376111982.db2.gz SYMRUWXBFXIQDV-MCIONIFRSA-N 1 0 276.428 3.234 50 0 CGAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558630 376112103 /nfs/dbraw/zinc/11/21/03/376112103.db2.gz IJEUWPKURIVJEB-KGYLQXTDSA-N 1 0 280.437 3.163 50 0 CGAARO COc1c(N)cc[nH+]c1-c1ccc([C@H](C)OC)cc1 ZINC000215974622 376154960 /nfs/dbraw/zinc/15/49/60/376154960.db2.gz TWTFAXLQCHLUQC-JTQLQIEISA-N 1 0 258.321 3.047 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000215972163 376155196 /nfs/dbraw/zinc/15/51/96/376155196.db2.gz 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[NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000250198298 377556028 /nfs/dbraw/zinc/55/60/28/377556028.db2.gz PCDWLXFOBVIDMN-JMSVASOKSA-N 1 0 292.810 3.131 50 0 CGAARO C[N@H+](CCCc1cccnc1)[C@@H](c1ccccn1)C1CC1 ZINC000252485491 377628576 /nfs/dbraw/zinc/62/85/76/377628576.db2.gz GWPATNHGZGWJRT-GOSISDBHSA-N 1 0 281.403 3.492 50 0 CGAARO C/C(=C/C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000252678946 377650546 /nfs/dbraw/zinc/65/05/46/377650546.db2.gz HWQJCNPTLBXAGG-VMHZXUCRSA-N 1 0 290.451 3.207 50 0 CGAARO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000252586094 377638790 /nfs/dbraw/zinc/63/87/90/377638790.db2.gz NLUYFOAOKMAEJI-BFYDXBDKSA-N 1 0 294.483 3.438 50 0 CGAARO COCC[C@H]1CCCC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000253432218 377693059 /nfs/dbraw/zinc/69/30/59/377693059.db2.gz XDGQXGMXYAEHSB-MRXNPFEDSA-N 1 0 293.455 3.411 50 0 CGAARO c1cc(C[NH2+][C@H]2CCCC23CCOCC3)cc2c1COC2 ZINC000253397444 377688651 /nfs/dbraw/zinc/68/86/51/377688651.db2.gz 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ZINC000670437704 543154812 /nfs/dbraw/zinc/15/48/12/543154812.db2.gz UXCAGNLIPBMEBC-CQSZACIVSA-N 1 0 275.396 3.300 50 0 CGAARO Cc1ccc([C@@H]2C[N@@H+](CC3CCC3)C[C@H]2N(C)C)cc1 ZINC000077554192 292219771 /nfs/dbraw/zinc/21/97/71/292219771.db2.gz HKILTNIYKPANBE-ZWKOTPCHSA-N 1 0 272.436 3.125 50 0 CGAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000245289686 286698219 /nfs/dbraw/zinc/69/82/19/286698219.db2.gz DLQYWZAKCHXTPJ-MRTXSQPYSA-N 1 0 269.454 3.064 50 0 CGAARO Clc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000004700884 170001366 /nfs/dbraw/zinc/00/13/66/170001366.db2.gz DGBYCDGLPOVSMD-SNVBAGLBSA-N 1 0 260.164 3.262 50 0 CGAARO CCCC[NH2+]CC(=O)Nc1ccc(OCCCC)cc1 ZINC000004772970 170014705 /nfs/dbraw/zinc/01/47/05/170014705.db2.gz KSWMMYOEKPWQTO-UHFFFAOYSA-N 1 0 278.396 3.194 50 0 CGAARO CC(=O)c1cccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000004841739 170028578 /nfs/dbraw/zinc/02/85/78/170028578.db2.gz VVYNWWQREPVHQQ-OKILXGFUSA-N 1 0 275.392 3.246 50 0 CGAARO 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O=C(NCc1ccco1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009114224 170363968 /nfs/dbraw/zinc/36/39/68/170363968.db2.gz BIUGUBACHIKOJR-UHFFFAOYSA-N 1 0 298.386 3.196 50 0 CGAARO Cc1cc(NC(=O)C[NH2+]C(C)(C)C)ccc1Br ZINC000009484287 170378801 /nfs/dbraw/zinc/37/88/01/170378801.db2.gz OSLQDUYCZHBBQX-UHFFFAOYSA-N 1 0 299.212 3.084 50 0 CGAARO Cc1cc(OCCCC[NH+]2CCOCC2)ccc1Cl ZINC000019770525 170856324 /nfs/dbraw/zinc/85/63/24/170856324.db2.gz YWQNYBTWAYPKDJ-UHFFFAOYSA-N 1 0 283.799 3.140 50 0 CGAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccnc1 ZINC000020122496 171002862 /nfs/dbraw/zinc/00/28/62/171002862.db2.gz DQXLGSQWUKXLST-CYBMUJFWSA-N 1 0 265.360 3.456 50 0 CGAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020148995 171037400 /nfs/dbraw/zinc/03/74/00/171037400.db2.gz ICKFFNBDFNZJSX-UHFFFAOYSA-N 1 0 289.810 3.303 50 0 world CGAARO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000020186097 171049513 /nfs/dbraw/zinc/04/95/13/171049513.db2.gz LLZOFMNCXKVRDA-UHFFFAOYSA-N 1 0 296.292 3.399 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(OC)c1 ZINC000020203874 171068308 /nfs/dbraw/zinc/06/83/08/171068308.db2.gz UTEKKGICBPXJQW-OAHLLOKOSA-N 1 0 287.359 3.464 50 0 CGAARO Cc1ccc(-c2noc(CCC[NH+]3CCCCC3)n2)cc1 ZINC000020234049 171095553 /nfs/dbraw/zinc/09/55/53/171095553.db2.gz HCWNMMWWXBTTHH-UHFFFAOYSA-N 1 0 285.391 3.464 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)CC2CC2)ccc1Cl ZINC000020388350 171177221 /nfs/dbraw/zinc/17/72/21/171177221.db2.gz DTVSXZBIZMYVOZ-GXTWGEPZSA-N 1 0 297.826 3.166 50 0 CGAARO Cc1ccn(CC[NH+]2CCC(Oc3ccccc3C)CC2)n1 ZINC000020995836 171283547 /nfs/dbraw/zinc/28/35/47/171283547.db2.gz ILWZAQLRRPCPMT-UHFFFAOYSA-N 1 0 299.418 3.043 50 0 CGAARO c1csc([C@H]2CCCC[N@H+]2CCCc2cn[nH]c2)n1 ZINC000020998798 171284369 /nfs/dbraw/zinc/28/43/69/171284369.db2.gz NBQDPWPLQDAYJY-CYBMUJFWSA-N 1 0 276.409 3.026 50 0 CGAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000021720906 171321128 /nfs/dbraw/zinc/32/11/28/171321128.db2.gz ZFGVKPTUNHOIDW-CQSZACIVSA-N 1 0 271.364 3.278 50 0 CGAARO C[N@H+](Cn1c2ccccc2oc1=O)[C@@H]1CCc2ccccc21 ZINC000022758224 171397589 /nfs/dbraw/zinc/39/75/89/171397589.db2.gz ICRNLWRAKYDDLI-OAHLLOKOSA-N 1 0 294.354 3.171 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+]CCCn1ccnc1 ZINC000035268950 172091965 /nfs/dbraw/zinc/09/19/65/172091965.db2.gz CADGLOHJQMXCEJ-UHFFFAOYSA-N 1 0 295.386 3.225 50 0 CGAARO Fc1ccc([C@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 ZINC000035285264 172103791 /nfs/dbraw/zinc/10/37/91/172103791.db2.gz ARMWCMRIECSWLI-JKSUJKDBSA-N 1 0 257.308 3.228 50 0 CGAARO CC(C)[C@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1 ZINC000037235866 173054422 /nfs/dbraw/zinc/05/44/22/173054422.db2.gz SNWUGVVPWOJRBO-KRWDZBQOSA-N 1 0 280.375 3.216 50 0 CGAARO c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000039209899 174165559 /nfs/dbraw/zinc/16/55/59/174165559.db2.gz XKECCEPWUCILIL-QGZVFWFLSA-N 1 0 253.345 3.260 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000046855485 175399992 /nfs/dbraw/zinc/39/99/92/175399992.db2.gz VAVWQPFJHHSBRH-UHFFFAOYSA-N 1 0 288.416 3.117 50 0 CGAARO Cc1noc(C)c1CN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000071886752 176290448 /nfs/dbraw/zinc/29/04/48/176290448.db2.gz JTWLAWHZLCKESN-INIZCTEOSA-N 1 0 291.439 3.132 50 0 CGAARO CS[C@H](C)CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000072133848 176321841 /nfs/dbraw/zinc/32/18/41/176321841.db2.gz GKXUXOVOQLYNSB-CQSZACIVSA-N 1 0 296.455 3.085 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccnc3ccccc23)C1 ZINC000072167434 176331465 /nfs/dbraw/zinc/33/14/65/176331465.db2.gz JPIQRWVZXGDMEP-OAHLLOKOSA-N 1 0 295.430 3.293 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](Cc2nccnc2Cl)CC1 ZINC000072343852 176371978 /nfs/dbraw/zinc/37/19/78/176371978.db2.gz IDBDUZCSPKGXML-GFCCVEGCSA-N 1 0 267.804 3.183 50 0 CGAARO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cccnc1 ZINC000072409038 176398243 /nfs/dbraw/zinc/39/82/43/176398243.db2.gz FICPNLRJHBZZDH-UHFFFAOYSA-N 1 0 298.430 3.417 50 0 CGAARO CC(C)[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000725243713 544112095 /nfs/dbraw/zinc/11/20/95/544112095.db2.gz DPFDNYCLKLLIIF-BETUJISGSA-N 1 0 270.417 3.068 50 0 CGAARO Cc1cc(CN(C)Cc2cc(C[NH+](C)C)cs2)ccn1 ZINC000215007793 262338399 /nfs/dbraw/zinc/33/83/99/262338399.db2.gz PYXLCHHWKJXKNK-UHFFFAOYSA-N 1 0 289.448 3.145 50 0 CGAARO CC(C)C[NH2+]C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000012420096 273515003 /nfs/dbraw/zinc/51/50/03/273515003.db2.gz RIULEDKMOKRDPC-KRWDZBQOSA-N 1 0 299.414 3.339 50 0 CGAARO C[C@@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CCO1 ZINC000048562214 274345184 /nfs/dbraw/zinc/34/51/84/274345184.db2.gz CTWWDEGUTRLWKZ-CYBMUJFWSA-N 1 0 265.356 3.477 50 0 CGAARO Brc1ccc(-c2cc3c(o2)CC[NH2+]C3)cc1 ZINC000034318197 275368543 /nfs/dbraw/zinc/36/85/43/275368543.db2.gz IHTFBATWBOWMCE-UHFFFAOYSA-N 1 0 278.149 3.355 50 0 CGAARO CCC(CC)C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000095434134 275956118 /nfs/dbraw/zinc/95/61/18/275956118.db2.gz AEJFJMXWPAQKSA-KGLIPLIRSA-N 1 0 257.443 3.067 50 0 CGAARO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037031595 276043287 /nfs/dbraw/zinc/04/32/87/276043287.db2.gz ZHISISWWPBYLEY-NWDGAFQWSA-N 1 0 298.839 3.121 50 0 CGAARO CCN1CCC[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000032565269 276176026 /nfs/dbraw/zinc/17/60/26/276176026.db2.gz JODIUSQJXNIDLQ-SJORKVTESA-N 1 0 264.457 3.373 50 0 CGAARO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000395323871 288008247 /nfs/dbraw/zinc/00/82/47/288008247.db2.gz NTHLHBFDYGWJRA-CYBMUJFWSA-N 1 0 285.790 3.462 50 0 CGAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983771 278352282 /nfs/dbraw/zinc/35/22/82/278352282.db2.gz JSQPDEFUONEKJH-IUODEOHRSA-N 1 0 279.355 3.162 50 0 CGAARO CCc1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1 ZINC000000140544 281421687 /nfs/dbraw/zinc/42/16/87/281421687.db2.gz WYZSWNVETMWLSL-IBGZPJMESA-N 1 0 295.382 3.255 50 0 CGAARO CC1=CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000560533321 289602098 /nfs/dbraw/zinc/60/20/98/289602098.db2.gz BZXRFTDSLGRHTB-ZIAGYGMSSA-N 1 0 288.366 3.019 50 0 CGAARO Fc1ccccc1C1([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000157322550 303136913 /nfs/dbraw/zinc/13/69/13/303136913.db2.gz IRIXIFUYQLYBQO-UHFFFAOYSA-N 1 0 291.366 3.090 50 0 CGAARO Cc1n[nH]c(C)c1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000534654505 328339048 /nfs/dbraw/zinc/33/90/48/328339048.db2.gz HPFNECHUDIWLNL-AWEZNQCLSA-N 1 0 285.391 3.087 50 0 CGAARO Clc1cccc(C2([NH2+][C@H]3CCSC3)CC2)c1 ZINC000390772750 328450551 /nfs/dbraw/zinc/45/05/51/328450551.db2.gz XKUSVHHGPXAUPG-LBPRGKRZSA-N 1 0 253.798 3.424 50 0 CGAARO Cc1ccccc1C[C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000096477854 329526961 /nfs/dbraw/zinc/52/69/61/329526961.db2.gz RCTAZDWZYHPTQR-KUHUBIRLSA-N 1 0 281.465 3.063 50 0 CGAARO CCSc1ccccc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558657 336056098 /nfs/dbraw/zinc/05/60/98/336056098.db2.gz RUAIRCCOJHJFKW-MELADBBJSA-N 1 0 277.433 3.386 50 0 CGAARO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C1 ZINC000096441606 534110496 /nfs/dbraw/zinc/11/04/96/534110496.db2.gz RZHVIKWGYOJOCS-CVEARBPZSA-N 1 0 292.448 3.361 50 0 CGAARO CCOc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000035268970 521003028 /nfs/dbraw/zinc/00/30/28/521003028.db2.gz LNLFKVRIBYBVAL-UHFFFAOYSA-N 1 0 293.798 3.115 50 0 CGAARO CC(=O)CCc1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000002844585 526428737 /nfs/dbraw/zinc/42/87/37/526428737.db2.gz MICJLTWAELBXRC-UHFFFAOYSA-N 1 0 275.392 3.119 50 0 CGAARO CC(=O)Nc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000757558 526973617 /nfs/dbraw/zinc/97/36/17/526973617.db2.gz ZSGCUQCCWBAKED-STQMWFEESA-N 1 0 260.381 3.123 50 0 CGAARO OCCC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000052685556 527541385 /nfs/dbraw/zinc/54/13/85/527541385.db2.gz SPGMUQVYNVHRCW-MRXNPFEDSA-N 1 0 273.401 3.078 50 0 CGAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccn2)C1 ZINC000096441698 529221631 /nfs/dbraw/zinc/22/16/31/529221631.db2.gz BONGIWSGQOJMKQ-UONOGXRCSA-N 1 0 250.411 3.188 50 0 CGAARO Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1C ZINC000299740269 567148942 /nfs/dbraw/zinc/14/89/42/567148942.db2.gz XTLSKIRQUHFMDD-ULQDDVLXSA-N 1 0 286.419 3.094 50 0 CGAARO CC[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)[N@H+](C)CC ZINC000952967887 615379972 /nfs/dbraw/zinc/37/99/72/615379972.db2.gz DCMULIKBRROZNG-AWEZNQCLSA-N 1 0 294.826 3.176 50 0 CGAARO CC[C@H]1C=CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000952971208 615877376 /nfs/dbraw/zinc/87/73/76/615877376.db2.gz IWCTXVNJYVHHOC-NSHDSACASA-N 1 0 265.740 3.219 50 0 CGAARO O=C1c2ccccc2[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000019939291 618973853 /nfs/dbraw/zinc/97/38/53/618973853.db2.gz SSZYQCXXLLYBFN-QZTJIDSGSA-N 1 0 277.367 3.489 50 0 CGAARO CCOCC[NH2+][C@@H](C)c1cnc(-c2ccccc2)o1 ZINC000888099160 619261062 /nfs/dbraw/zinc/26/10/62/619261062.db2.gz WVGANDGOWNOHDJ-LBPRGKRZSA-N 1 0 260.337 3.029 50 0 CGAARO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093642890 619448681 /nfs/dbraw/zinc/44/86/81/619448681.db2.gz MATBPUPCOXWMJM-ZDUSSCGKSA-N 1 0 280.437 3.248 50 0 CGAARO COc1cc(OC)cc([C@@H]2CC[N@@H+](C3CCC3)C2)c1 ZINC000179583524 624665710 /nfs/dbraw/zinc/66/57/10/624665710.db2.gz LFPIRUBMYZTWNQ-GFCCVEGCSA-N 1 0 261.365 3.046 50 0 CGAARO C[C@H]([NH2+]C1CCN(C)CC1)c1coc2ccccc12 ZINC000863982334 629721496 /nfs/dbraw/zinc/72/14/96/629721496.db2.gz CYQGGROKARMHHU-LBPRGKRZSA-N 1 0 258.365 3.178 50 0 CGAARO C[C@H](Cc1ccccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000863982433 629721957 /nfs/dbraw/zinc/72/19/57/629721957.db2.gz KEUNNBAZTSBHPZ-WBVHZDCISA-N 1 0 299.418 3.032 50 0 CGAARO CCC[C@]1(CO)CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000808796802 630679051 /nfs/dbraw/zinc/67/90/51/630679051.db2.gz RHWZFDQJMCYPQA-SFHVURJKSA-N 1 0 291.435 3.167 50 0 CGAARO CC(C)(C)C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccnc1 ZINC000952970960 636775377 /nfs/dbraw/zinc/77/53/77/636775377.db2.gz WPMGMRGCJANJTN-CQSZACIVSA-N 1 0 258.369 3.072 50 0 CGAARO C(=C\c1ccco1)\C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000886009065 637357362 /nfs/dbraw/zinc/35/73/62/637357362.db2.gz WTYXUARGCFYTMV-JHAQOBCDSA-N 1 0 269.344 3.134 50 0 CGAARO COCCC1(C[NH2+]Cc2cncc(C)c2)CCCCC1 ZINC000189367818 640188574 /nfs/dbraw/zinc/18/85/74/640188574.db2.gz XJQLHSBALFZOBU-UHFFFAOYSA-N 1 0 276.424 3.467 50 0 CGAARO COc1ccc(/C=C(/C)C[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000095988348 640818029 /nfs/dbraw/zinc/81/80/29/640818029.db2.gz IAICAUNHVKJFBH-RNQWEJQRSA-N 1 0 285.391 3.183 50 0 CGAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000019836620 641039017 /nfs/dbraw/zinc/03/90/17/641039017.db2.gz IVRFGYWMQUIAST-INIZCTEOSA-N 1 0 288.366 3.173 50 0 CGAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH+]1CCCC1 ZINC000023549831 798838677 /nfs/dbraw/zinc/83/86/77/798838677.db2.gz LVZXKICVTZNPIF-UHFFFAOYSA-N 1 0 297.826 3.448 50 0 CGAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)C(C)C)CC1 ZINC000581817151 799675021 /nfs/dbraw/zinc/67/50/21/799675021.db2.gz UBHOBBMJMIOUNI-UHFFFAOYSA-N 1 0 291.439 3.039 50 0 CGAARO CC[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000822655560 800463199 /nfs/dbraw/zinc/46/31/99/800463199.db2.gz ZLYOVKVYCIEFNQ-MRXNPFEDSA-N 1 0 292.398 3.269 50 0 CGAARO CCCSc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000822995973 800465370 /nfs/dbraw/zinc/46/53/70/800465370.db2.gz DRZNHAHGMYKNRE-GFCCVEGCSA-N 1 0 278.421 3.079 50 0 CGAARO CC(C)Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)s1 ZINC000823709246 800468548 /nfs/dbraw/zinc/46/85/48/800468548.db2.gz QMRYJNBOBUTNSR-ZDUSSCGKSA-N 1 0 267.438 3.415 50 0 CGAARO CC(C)[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccnc2)c2ccccc21 ZINC000952879482 800686297 /nfs/dbraw/zinc/68/62/97/800686297.db2.gz ITYDTUAFQNACFK-YJBOKZPZSA-N 1 0 295.386 3.018 50 0 CGAARO CC(C)(C)[N@@H+]1CC[C@H](CNc2nncc3ccccc32)C1 ZINC000821740599 928076199 /nfs/dbraw/zinc/07/61/99/928076199.db2.gz VQLVZJMCNNPAEZ-CYBMUJFWSA-N 1 0 284.407 3.162 50 0 CGAARO CC(C)[N@H+](C)C[C@@H](C)N(C)Cc1cccc2cnccc21 ZINC001506400648 937989520 /nfs/dbraw/zinc/98/95/20/937989520.db2.gz GHVMLHXEGLTLBA-OAHLLOKOSA-N 1 0 285.435 3.395 50 0 CGAARO O=C1CC[C@@H]([N@@H+]2CCC3(CCCC3)C2)CCN1CC1CC1 ZINC001506398998 937989710 /nfs/dbraw/zinc/98/97/10/937989710.db2.gz VKLUDNPRJYVMOO-MRXNPFEDSA-N 1 0 290.451 3.044 50 0 CGAARO CC(C)n1cc(NC(=O)C[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001529191478 938071536 /nfs/dbraw/zinc/07/15/36/938071536.db2.gz ZWACKTORXXANSE-CQSZACIVSA-N 1 0 292.427 3.057 50 0 CGAARO OCC[C@H]1CCC[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000097743389 230387497 /nfs/dbraw/zinc/38/74/97/230387497.db2.gz AABQBUNFYDJPBT-MRXNPFEDSA-N 1 0 289.419 3.355 50 0 CGAARO [NH3+]C1CC(c2cc(NC3CCCCCCC3)ncn2)C1 ZINC000222576688 230397931 /nfs/dbraw/zinc/39/79/31/230397931.db2.gz UEWAVNUQFPRDJL-UHFFFAOYSA-N 1 0 274.412 3.206 50 0 CGAARO CC[NH+](CC)CCOC(=O)c1sccc1-n1cccc1 ZINC000095947462 185038130 /nfs/dbraw/zinc/03/81/30/185038130.db2.gz HTYZBAOYUOOSPW-UHFFFAOYSA-N 1 0 292.404 3.037 50 0 CGAARO CCc1ccc([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000095967599 185046243 /nfs/dbraw/zinc/04/62/43/185046243.db2.gz DECBQQUUXOAGBZ-TZYSRNFLSA-N 1 0 288.435 3.347 50 0 CGAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000095969004 185048006 /nfs/dbraw/zinc/04/80/06/185048006.db2.gz PFVNGQUHKHSHBC-ZFWWWQNUSA-N 1 0 290.432 3.360 50 0 CGAARO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000095975529 185050656 /nfs/dbraw/zinc/05/06/56/185050656.db2.gz DDTLBJOMCAUTPK-KZULUSFZSA-N 1 0 287.856 3.204 50 0 CGAARO Cc1nc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cs1 ZINC000095978236 185051883 /nfs/dbraw/zinc/05/18/83/185051883.db2.gz NGAIPXGIYJYBHN-JOYOIKCWSA-N 1 0 282.434 3.115 50 0 CGAARO c1csc([C@@H]2CCC[N@H+]2CCCn2ccnc2)c1 ZINC000095987162 185056686 /nfs/dbraw/zinc/05/66/86/185056686.db2.gz PWEXFJIRCZXTJQ-ZDUSSCGKSA-N 1 0 261.394 3.172 50 0 CGAARO COc1ccccc1OC[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000095987602 185056900 /nfs/dbraw/zinc/05/69/00/185056900.db2.gz OJYPVIJEDFAYFR-IHRRRGAJSA-N 1 0 293.407 3.008 50 0 CGAARO CC[C@@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccncc1 ZINC000096012823 185066044 /nfs/dbraw/zinc/06/60/44/185066044.db2.gz QGQWQRNNWWKSCQ-QGZVFWFLSA-N 1 0 297.402 3.175 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2OC)cc1F ZINC000096981322 185145213 /nfs/dbraw/zinc/14/52/13/185145213.db2.gz VBXWUECBGYIWPR-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CCc1ncc(C[NH2+]CC2(CC(C)C)CCC2)cn1 ZINC000414380888 529755249 /nfs/dbraw/zinc/75/52/49/529755249.db2.gz PHICHKREHRTRPS-UHFFFAOYSA-N 1 0 261.413 3.345 50 0 CGAARO Cc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000002901248 344858167 /nfs/dbraw/zinc/85/81/67/344858167.db2.gz XQHRBLSOIDNKIR-UHFFFAOYSA-N 1 0 269.344 3.056 50 0 CGAARO CC(C)C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012382261 344879706 /nfs/dbraw/zinc/87/97/06/344879706.db2.gz ISDYEVLJIMCCQK-HNNXBMFYSA-N 1 0 288.435 3.232 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257794 344941934 /nfs/dbraw/zinc/94/19/34/344941934.db2.gz ZSECNMBCGSHNHK-NEPJUHHUSA-N 1 0 289.345 3.248 50 0 CGAARO CCCC[N@@H+]1CCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286674 345271429 /nfs/dbraw/zinc/27/14/29/345271429.db2.gz VUZDNUYNQJWJBK-ZDUSSCGKSA-N 1 0 272.352 3.069 50 0 CGAARO COc1ccc(C2([NH2+][C@@H]3C=CCCC3)CCOCC2)cc1 ZINC000066539886 345299216 /nfs/dbraw/zinc/29/92/16/345299216.db2.gz MKXMDFZYCWQCSL-MRXNPFEDSA-N 1 0 287.403 3.399 50 0 CGAARO Fc1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000072979912 345425267 /nfs/dbraw/zinc/42/52/67/345425267.db2.gz JWTWZKIHSCMLKF-UHFFFAOYSA-N 1 0 256.324 3.385 50 0 CGAARO Cc1ncsc1C[N@H+](C)C[C@@H](O)c1cc(C)ccc1C ZINC000075719550 345520485 /nfs/dbraw/zinc/52/04/85/345520485.db2.gz IZQVRKKWGSZNTR-OAHLLOKOSA-N 1 0 290.432 3.234 50 0 CGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2sccc2C)C1 ZINC000079020716 345627923 /nfs/dbraw/zinc/62/79/23/345627923.db2.gz PXHIJGJIGSDJGA-JCGVRSQUSA-N 1 0 285.478 3.226 50 0 CGAARO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000081197930 345701177 /nfs/dbraw/zinc/70/11/77/345701177.db2.gz YPXSQHUOJXMENA-ROUUACIJSA-N 1 0 282.387 3.400 50 0 CGAARO COc1ccc([C@H]([NH2+]CCn2ccnc2C)C(C)C)cc1 ZINC000091313893 345810510 /nfs/dbraw/zinc/81/05/10/345810510.db2.gz KQFOOTOUUWQKHB-QGZVFWFLSA-N 1 0 287.407 3.187 50 0 CGAARO CCOC(=O)[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000096026370 345901256 /nfs/dbraw/zinc/90/12/56/345901256.db2.gz SRKMITJNJVQFPE-CQSZACIVSA-N 1 0 281.783 3.430 50 0 CGAARO C[C@H](SCCC[NH+]1CCN(C)CC1)c1cccs1 ZINC000097098679 345906629 /nfs/dbraw/zinc/90/66/29/345906629.db2.gz QVULEHJDUBSLRZ-ZDUSSCGKSA-N 1 0 284.494 3.180 50 0 CGAARO [NH3+]CCCOc1ccccc1CCc1ccccc1 ZINC000150066804 346132369 /nfs/dbraw/zinc/13/23/69/346132369.db2.gz ANGFQVCFIHRMQD-UHFFFAOYSA-N 1 0 255.361 3.199 50 0 CGAARO COC[C@@](C)([NH2+]Cc1cccnc1C)c1ccccc1 ZINC000154635365 346149879 /nfs/dbraw/zinc/14/98/79/346149879.db2.gz FVAPGITYGKSRPT-QGZVFWFLSA-N 1 0 270.376 3.041 50 0 CGAARO CC(C)[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCC1 ZINC000170637222 346195980 /nfs/dbraw/zinc/19/59/80/346195980.db2.gz WAIXOCPFCUJNSN-IIAWOOMASA-N 1 0 280.456 3.190 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000217907120 346292016 /nfs/dbraw/zinc/29/20/16/346292016.db2.gz DXORHDLHFIBRBN-UONOGXRCSA-N 1 0 282.428 3.355 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1cccc2cc[nH]c21 ZINC000584887301 346721571 /nfs/dbraw/zinc/72/15/71/346721571.db2.gz CRJIFKOTVCJXQV-UHFFFAOYSA-N 1 0 299.418 3.114 50 0 CGAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000090887941 180053748 /nfs/dbraw/zinc/05/37/48/180053748.db2.gz DFRWWAXACNANAN-JTQLQIEISA-N 1 0 292.452 3.468 50 0 CGAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000091326905 180135216 /nfs/dbraw/zinc/13/52/16/180135216.db2.gz LCTVBLVZZCHFHP-GOSISDBHSA-N 1 0 299.389 3.383 50 0 CGAARO Cc1nc(NCCCSC2CCCCC2)cc(N)[nH+]1 ZINC000091713073 180230714 /nfs/dbraw/zinc/23/07/14/180230714.db2.gz GWZGUUIGWLESES-UHFFFAOYSA-N 1 0 280.441 3.235 50 0 CGAARO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000091856201 180274495 /nfs/dbraw/zinc/27/44/95/180274495.db2.gz OXMGINMYWNIOCD-DSRCVFDASA-N 1 0 293.432 3.109 50 0 CGAARO Fc1cccc(C=C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000408523421 283013360 /nfs/dbraw/zinc/01/33/60/283013360.db2.gz RMYTUHDMOIINBI-MRXNPFEDSA-N 1 0 261.340 3.094 50 0 CGAARO CCn1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000179787209 189220183 /nfs/dbraw/zinc/22/01/83/189220183.db2.gz AEXCBVHRZSWYMT-UHFFFAOYSA-N 1 0 285.366 3.331 50 0 CGAARO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000182955345 189340474 /nfs/dbraw/zinc/34/04/74/189340474.db2.gz FALNEBSWWCHARB-GHMZBOCLSA-N 1 0 296.361 3.318 50 0 CGAARO c1cc(-c2ccc(C[NH2+]CC3=CCCCC3)o2)n[nH]1 ZINC000449375675 239361412 /nfs/dbraw/zinc/36/14/12/239361412.db2.gz IJDYCYCPPKBJSN-UHFFFAOYSA-N 1 0 257.337 3.260 50 0 CGAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218910400 376191560 /nfs/dbraw/zinc/19/15/60/376191560.db2.gz AKUVIHRINPRMML-NQBHXWOUSA-N 1 0 296.361 3.002 50 0 CGAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000000240891 368322934 /nfs/dbraw/zinc/32/29/34/368322934.db2.gz DJNUOWBCMFAIHY-VQIMIIECSA-N 1 0 281.399 3.416 50 0 CGAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000243780 368323144 /nfs/dbraw/zinc/32/31/44/368323144.db2.gz IZWISBNYITYHDT-UHFFFAOYSA-N 1 0 288.435 3.146 50 0 CGAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000000176315 368309480 /nfs/dbraw/zinc/30/94/80/368309480.db2.gz IJWYWOWSWPMWFQ-UHFFFAOYSA-N 1 0 260.381 3.118 50 0 CGAARO Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000000176409 368309493 /nfs/dbraw/zinc/30/94/93/368309493.db2.gz CBARPLBGFMDFLQ-GASCZTMLSA-N 1 0 274.408 3.302 50 0 CGAARO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2)cc1 ZINC000000453923 368369579 /nfs/dbraw/zinc/36/95/79/368369579.db2.gz DWIDPPSNAFYUTM-UHFFFAOYSA-N 1 0 298.386 3.156 50 0 CGAARO CC(C)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000299283 368335602 /nfs/dbraw/zinc/33/56/02/368335602.db2.gz ZGLMXQKRTGEOCS-UHFFFAOYSA-N 1 0 288.435 3.061 50 0 CGAARO CC[C@]1(C)N(O)C(C)(C)C(c2ccc(Cl)cc2)[N+]1=O ZINC000000305535 368336835 /nfs/dbraw/zinc/33/68/35/368336835.db2.gz YHUXXGFYUWQWHG-AWEZNQCLSA-N 1 0 282.771 3.249 50 0 CGAARO c1ccc2c3c(c(C[NH+]4CCCC4)cc2c1)COC3 ZINC000000340374 368343455 /nfs/dbraw/zinc/34/34/55/368343455.db2.gz VQYOWZJUFOFYJJ-UHFFFAOYSA-N 1 0 253.345 3.466 50 0 biogenic CGAARO CCOc1ccc(C(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000375684 368352116 /nfs/dbraw/zinc/35/21/16/368352116.db2.gz MMLUVUAFMNHMLL-CQSZACIVSA-N 1 0 291.391 3.117 50 0 CGAARO C[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000389689 368355507 /nfs/dbraw/zinc/35/55/07/368355507.db2.gz IEEFFKXJADVWJO-HNNXBMFYSA-N 1 0 255.361 3.070 50 0 CGAARO Cc1sc(C)c([C@H]2C=CNC=[NH+]2)c1Br ZINC000000480759 368376530 /nfs/dbraw/zinc/37/65/30/368376530.db2.gz OWUQSWALHFJKCS-MRVPVSSYSA-N 1 0 271.183 3.314 50 0 CGAARO CCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000002178147 368448477 /nfs/dbraw/zinc/44/84/77/368448477.db2.gz MIKXKRRARYXENU-UHFFFAOYSA-N 1 0 257.761 3.247 50 0 CGAARO CC[C@H](C(=O)OCC[NH+](CC)CC)c1ccccc1 ZINC000001718577 368433783 /nfs/dbraw/zinc/43/37/83/368433783.db2.gz CKWHSYRZDLWQFV-HNNXBMFYSA-N 1 0 263.381 3.065 50 0 in-man CGAARO COc1ccc(CC[NH2+]Cc2cccc(C)c2)cc1OC ZINC000002388692 368452544 /nfs/dbraw/zinc/45/25/44/368452544.db2.gz WNAXZTIJDZFQLU-UHFFFAOYSA-N 1 0 285.387 3.345 50 0 biogenic CGAARO Cc1ccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004152809 368533597 /nfs/dbraw/zinc/53/35/97/368533597.db2.gz CBARPLBGFMDFLQ-HUUCEWRRSA-N 1 0 274.408 3.302 50 0 CGAARO CCOc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000003429156 368507517 /nfs/dbraw/zinc/50/75/17/368507517.db2.gz MUHFDSZPOCRTKV-UHFFFAOYSA-N 1 0 290.407 3.288 50 0 CGAARO C(=C/c1ccccc1)\C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004488517 368547470 /nfs/dbraw/zinc/54/74/70/368547470.db2.gz XTUIUIDTYOEITB-QPJJXVBHSA-N 1 0 267.328 3.218 50 0 CGAARO CC[C@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000004525102 368549485 /nfs/dbraw/zinc/54/94/85/368549485.db2.gz NKBPLOQRMUVJTN-VBQJREDUSA-N 1 0 275.392 3.352 50 0 CGAARO Cc1cccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000007811365 368572671 /nfs/dbraw/zinc/57/26/71/368572671.db2.gz PVCICENBYIVPQH-BETUJISGSA-N 1 0 274.408 3.220 50 0 CGAARO COc1ccccc1CSC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000010218367 368578086 /nfs/dbraw/zinc/57/80/86/368578086.db2.gz INBHCEUZFICUKM-BETUJISGSA-N 1 0 276.405 3.199 50 0 CGAARO CCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000012035588 368603476 /nfs/dbraw/zinc/60/34/76/368603476.db2.gz VWTHJIVEELCZNU-INIZCTEOSA-N 1 0 292.398 3.097 50 0 CGAARO CCOc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000013720356 368663288 /nfs/dbraw/zinc/66/32/88/368663288.db2.gz NJLFSXAUONKDFA-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO CCCc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000016602831 368716419 /nfs/dbraw/zinc/71/64/19/368716419.db2.gz CSSBLDPUIGOJSM-UHFFFAOYSA-N 1 0 294.464 3.303 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)o1 ZINC000016662658 368719913 /nfs/dbraw/zinc/71/99/13/368719913.db2.gz CLHSRJATFSAGOO-UHFFFAOYSA-N 1 0 270.376 3.219 50 0 CGAARO c1ccc(CCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000019595426 368758472 /nfs/dbraw/zinc/75/84/72/368758472.db2.gz GRRWYYDCSBCBKJ-SFHVURJKSA-N 1 0 272.436 3.179 50 0 CGAARO C[N@@H+]1CCCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019633520 368758858 /nfs/dbraw/zinc/75/88/58/368758858.db2.gz CYYNOFPULKEZMR-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO CCN(CC[NH+](C)C)Cc1c(Cl)cccc1Cl ZINC000019633758 368758900 /nfs/dbraw/zinc/75/89/00/368758900.db2.gz BJUWGDLRKSESAZ-UHFFFAOYSA-N 1 0 275.223 3.377 50 0 CGAARO Cc1onc(-c2ccccc2)c1C[N@H+](C)CCc1cn[nH]c1 ZINC000019741391 368763234 /nfs/dbraw/zinc/76/32/34/368763234.db2.gz WJRQQLLMUJGITM-UHFFFAOYSA-N 1 0 296.374 3.048 50 0 CGAARO Cc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019367348 368750561 /nfs/dbraw/zinc/75/05/61/368750561.db2.gz MVPMLALCYAYESJ-UHFFFAOYSA-N 1 0 266.388 3.317 50 0 CGAARO CCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581897 368872292 /nfs/dbraw/zinc/87/22/92/368872292.db2.gz KGCRIDIDLXCDKN-QGZVFWFLSA-N 1 0 288.435 3.438 50 0 CGAARO Cc1ccc([C@H](CNC(=O)CC(C)C)[NH+]2CCCC2)cc1 ZINC000027992452 368879351 /nfs/dbraw/zinc/87/93/51/368879351.db2.gz GGYZCSXWBAKOCB-KRWDZBQOSA-N 1 0 288.435 3.294 50 0 CGAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000036096869 369009286 /nfs/dbraw/zinc/00/92/86/369009286.db2.gz QMMDUSWCLCHSAN-SFHVURJKSA-N 1 0 299.414 3.337 50 0 CGAARO CC[C@H](C(=O)OCC[NH+](CC)CC)C1CCCCC1 ZINC000036378854 369017766 /nfs/dbraw/zinc/01/77/66/369017766.db2.gz HCBIRCILKYQAPU-HNNXBMFYSA-N 1 0 269.429 3.478 50 0 CGAARO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000036396572 369021510 /nfs/dbraw/zinc/02/15/10/369021510.db2.gz DTDXSQVVORIFMG-GFCCVEGCSA-N 1 0 290.794 3.232 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000037893447 369124179 /nfs/dbraw/zinc/12/41/79/369124179.db2.gz DTTZBRLOOMSTLC-LLVKDONJSA-N 1 0 255.321 3.315 50 0 CGAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1c(C)noc1C ZINC000037778635 369110645 /nfs/dbraw/zinc/11/06/45/369110645.db2.gz UCEYJPSLVMLNKX-LLVKDONJSA-N 1 0 274.364 3.021 50 0 CGAARO CSc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000042364958 369217766 /nfs/dbraw/zinc/21/77/66/369217766.db2.gz OMQAFWHSPRMESA-AWEZNQCLSA-N 1 0 265.422 3.409 50 0 CGAARO CC(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774729 369232162 /nfs/dbraw/zinc/23/21/62/369232162.db2.gz CUEBRGNSWLTONS-NSHDSACASA-N 1 0 284.197 3.313 50 0 CGAARO Clc1cc(Cl)c(O[C@@H]2CC[NH2+]C2)cc1Cl ZINC000042776174 369232226 /nfs/dbraw/zinc/23/22/26/369232226.db2.gz UUHZIJOIBJFGLQ-ZCFIWIBFSA-N 1 0 266.555 3.388 50 0 CGAARO Cc1cc(OCC2CC[NH2+]CC2)ccc1Br ZINC000042774848 369232301 /nfs/dbraw/zinc/23/23/01/369232301.db2.gz LDNGRKRVOISUSV-UHFFFAOYSA-N 1 0 284.197 3.136 50 0 CGAARO C[C@H](CNC(=O)Nc1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000047324101 369312255 /nfs/dbraw/zinc/31/22/55/369312255.db2.gz XYACPQNMJSZUIE-GFCCVEGCSA-N 1 0 295.814 3.193 50 0 CGAARO c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000048364704 369343849 /nfs/dbraw/zinc/34/38/49/369343849.db2.gz HQOGVFCWIZFFLM-UHFFFAOYSA-N 1 0 280.415 3.395 50 0 CGAARO C[NH2+]Cc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000053294151 369481862 /nfs/dbraw/zinc/48/18/62/369481862.db2.gz KQDKRIXPBUSNLD-UHFFFAOYSA-N 1 0 270.304 3.131 50 0 CGAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000053814075 369489649 /nfs/dbraw/zinc/48/96/49/369489649.db2.gz PXNJNWKOCHIKCO-LLVKDONJSA-N 1 0 274.389 3.040 50 0 CGAARO CNc1ncccc1C[N@H+](C)CCOc1cc(C)ccc1C ZINC000055242893 369513112 /nfs/dbraw/zinc/51/31/12/369513112.db2.gz AZNFXHOQLREMOQ-UHFFFAOYSA-N 1 0 299.418 3.251 50 0 CGAARO CCN(CC[NH+]1CCCCCC1)Cc1cccc(O)c1 ZINC000055327359 369514861 /nfs/dbraw/zinc/51/48/61/369514861.db2.gz XAITYMMBWMFJRG-UHFFFAOYSA-N 1 0 276.424 3.090 50 0 CGAARO C[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)Cn1ccnc1 ZINC000129542294 370991494 /nfs/dbraw/zinc/99/14/94/370991494.db2.gz OUPKWFSLEXWTCY-AGIUHOORSA-N 1 0 289.345 3.230 50 0 CGAARO Clc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000058393727 369567616 /nfs/dbraw/zinc/56/76/16/369567616.db2.gz JJRCASWKEQSCET-OAHLLOKOSA-N 1 0 264.800 3.010 50 0 CGAARO Cc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1F ZINC000064845571 369661279 /nfs/dbraw/zinc/66/12/79/369661279.db2.gz GXXNWPFUTZSKHB-UHFFFAOYSA-N 1 0 299.393 3.288 50 0 CGAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000067172266 369713379 /nfs/dbraw/zinc/71/33/79/369713379.db2.gz CBOILEULVFQPKE-QZTJIDSGSA-N 1 0 295.382 3.075 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000065409117 369674479 /nfs/dbraw/zinc/67/44/79/369674479.db2.gz AWYQLAPEAXGYHH-CYBMUJFWSA-N 1 0 275.421 3.104 50 0 CGAARO CCC[N@H+](Cc1cccc(OC)c1)C1CCOCC1 ZINC000065467736 369677480 /nfs/dbraw/zinc/67/74/80/369677480.db2.gz ZUVRCCBWCCZDAS-UHFFFAOYSA-N 1 0 263.381 3.086 50 0 CGAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000069415008 369758915 /nfs/dbraw/zinc/75/89/15/369758915.db2.gz NHSIQUUXDPPHDU-ZDUSSCGKSA-N 1 0 292.404 3.058 50 0 CGAARO C[C@@H](c1cccc(-c2cnc3n[nH]nc3c2)c1)[NH+]1CCCC1 ZINC000067690784 369725344 /nfs/dbraw/zinc/72/53/44/369725344.db2.gz SYEWMXWEDVFEBR-LBPRGKRZSA-N 1 0 293.374 3.177 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1nn(C)c2ccc(C)cc12 ZINC000067756163 369727526 /nfs/dbraw/zinc/72/75/26/369727526.db2.gz JRIPTHPGDVJVOR-LBPRGKRZSA-N 1 0 277.437 3.113 50 0 CGAARO [NH3+]C[C@H]1Cc2cccc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000067872857 369733994 /nfs/dbraw/zinc/73/39/94/369733994.db2.gz FJJVPHHQYJTRAZ-CQSZACIVSA-N 1 0 264.328 3.097 50 0 CGAARO CC[N@@H+]1CCC[C@@H](CNc2nc(C)cc(C3CCC3)n2)C1 ZINC000071763293 369810626 /nfs/dbraw/zinc/81/06/26/369810626.db2.gz PNVABEPCGMLLSV-AWEZNQCLSA-N 1 0 288.439 3.196 50 0 CGAARO C[N@@H+](Cc1csc(-c2cccs2)n1)C[C@@H]1CCOC1 ZINC000072478640 369822940 /nfs/dbraw/zinc/82/29/40/369822940.db2.gz CBWPHBJRVYHWFX-NSHDSACASA-N 1 0 294.445 3.340 50 0 CGAARO C[N@H+](CCc1cccs1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000075145407 369896701 /nfs/dbraw/zinc/89/67/01/369896701.db2.gz SNUSJZDXGBPEMR-MJBXVCDLSA-N 1 0 265.422 3.036 50 0 CGAARO Cc1cc(C)c(CCCc2c(C)[nH+]c(N)nc2N)cc1C ZINC000075285972 369900621 /nfs/dbraw/zinc/90/06/21/369900621.db2.gz INGMERNHEAWFCU-UHFFFAOYSA-N 1 0 284.407 3.050 50 0 CGAARO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC000076108336 369930405 /nfs/dbraw/zinc/93/04/05/369930405.db2.gz SETVYWFEEWSKOM-ZWKOTPCHSA-N 1 0 282.387 3.170 50 0 CGAARO C1=C(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000082099168 370000161 /nfs/dbraw/zinc/00/01/61/370000161.db2.gz PASYKMPXOJSWBX-MRXNPFEDSA-N 1 0 279.424 3.195 50 0 CGAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(Cl)o1)CCC2 ZINC000089702127 370045837 /nfs/dbraw/zinc/04/58/37/370045837.db2.gz QUNJXDJNQZHLNB-LLVKDONJSA-N 1 0 279.771 3.105 50 0 CGAARO Cc1nc(C[C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)no1 ZINC000089718253 370046237 /nfs/dbraw/zinc/04/62/37/370046237.db2.gz QFWLICKWOVASDL-MPNRVQBSSA-N 1 0 297.402 3.346 50 0 CGAARO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@@H]1CCCO1 ZINC000084651579 370014096 /nfs/dbraw/zinc/01/40/96/370014096.db2.gz DMFDEQFBQXPCAZ-FZMZJTMJSA-N 1 0 285.334 3.460 50 0 CGAARO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000090801371 370070150 /nfs/dbraw/zinc/07/01/50/370070150.db2.gz IFTSSXOLONOSKT-KBPBESRZSA-N 1 0 293.480 3.170 50 0 CGAARO C[C@@H]1C[NH+](Cc2ccc(N3CCCC3)nc2)C[C@@H](C)S1 ZINC000092540670 370097849 /nfs/dbraw/zinc/09/78/49/370097849.db2.gz DBOHCLYFDDABPE-ZIAGYGMSSA-N 1 0 291.464 3.008 50 0 CGAARO C1=CC[C@@H](C[NH+]2CCC(OC3CCOCC3)CC2)CC1 ZINC000093140127 370112474 /nfs/dbraw/zinc/11/24/74/370112474.db2.gz OOVOHGXROCMPFW-OAHLLOKOSA-N 1 0 279.424 3.003 50 0 CGAARO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccsc2)c1 ZINC000089913467 370050928 /nfs/dbraw/zinc/05/09/28/370050928.db2.gz PDEROXNMUPNULT-ABAIWWIYSA-N 1 0 277.389 3.141 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1F)c1cnn(C)c1 ZINC000097228398 370235481 /nfs/dbraw/zinc/23/54/81/370235481.db2.gz XWHPWLKJFAEIKY-QWHCGFSZSA-N 1 0 275.371 3.231 50 0 CGAARO C[N@H+](Cc1cccc(-n2cccn2)c1)C1CCSCC1 ZINC000097475417 370243247 /nfs/dbraw/zinc/24/32/47/370243247.db2.gz WSMXAYVAMIJUCH-UHFFFAOYSA-N 1 0 287.432 3.200 50 0 CGAARO C[C@H](CO)[NH2+][C@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000095420761 370188158 /nfs/dbraw/zinc/18/81/58/370188158.db2.gz NOFKTQNGMCQLSG-RPVQJOFSSA-N 1 0 283.371 3.222 50 0 CGAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccs2)nc1 ZINC000095422399 370190069 /nfs/dbraw/zinc/19/00/69/370190069.db2.gz IVQNVTGEKRHTJG-GFCCVEGCSA-N 1 0 289.404 3.131 50 0 CGAARO COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1NC(C)=O ZINC000095433935 370192795 /nfs/dbraw/zinc/19/27/95/370192795.db2.gz VBSONMZXBDEMSS-CQSZACIVSA-N 1 0 288.391 3.100 50 0 CGAARO Cc1ccsc1C[N@H+]1C[C@@H](C(C)C)[C@H](N(C)C)C1 ZINC000095496928 370199453 /nfs/dbraw/zinc/19/94/53/370199453.db2.gz JFTVEPAYRQIBGE-UONOGXRCSA-N 1 0 266.454 3.075 50 0 CGAARO CCCC[C@H]([NH2+]C)c1nc(C2CCOCC2)nn1CCC ZINC000097711621 370251931 /nfs/dbraw/zinc/25/19/31/370251931.db2.gz UDWCBFBNFRBPTQ-AWEZNQCLSA-N 1 0 294.443 3.033 50 0 CGAARO c1ccc2[nH]c(SCCC3CC[NH2+]CC3)nc2c1 ZINC000095908652 370201908 /nfs/dbraw/zinc/20/19/08/370201908.db2.gz JKJBNGMDRIJWLM-UHFFFAOYSA-N 1 0 261.394 3.045 50 0 CGAARO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccco2)cc1F ZINC000095988570 370203183 /nfs/dbraw/zinc/20/31/83/370203183.db2.gz MJRNPBAVZQHANV-CABCVRRESA-N 1 0 279.286 3.178 50 0 CGAARO Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988200 370203351 /nfs/dbraw/zinc/20/33/51/370203351.db2.gz XBOHKELHVGUCTL-HUUCEWRRSA-N 1 0 290.407 3.116 50 0 CGAARO C[C@H]1C[N@H+](Cc2ccc(O)cc2)Cc2ccccc2O1 ZINC000012099637 541851446 /nfs/dbraw/zinc/85/14/46/541851446.db2.gz WMEFXYQHXISYKL-ZDUSSCGKSA-N 1 0 269.344 3.175 50 0 CGAARO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc2ccccc2o1 ZINC000151234611 371585476 /nfs/dbraw/zinc/58/54/76/371585476.db2.gz JGNTWLNSFUWWTM-QPUJVOFHSA-N 1 0 273.254 3.007 50 0 CGAARO COC1([C@H](C)[NH2+]Cc2scnc2C)CCCCC1 ZINC000421832777 371658164 /nfs/dbraw/zinc/65/81/64/371658164.db2.gz NAZMYXCIRKOUFH-LBPRGKRZSA-N 1 0 268.426 3.279 50 0 CGAARO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(F)c1 ZINC000344316357 217146787 /nfs/dbraw/zinc/14/67/87/217146787.db2.gz JXIDLMMPBUWDHH-INIZCTEOSA-N 1 0 298.361 3.000 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000170086557 372634015 /nfs/dbraw/zinc/63/40/15/372634015.db2.gz HKJFZBVAZDROLR-VIFPVBQESA-N 1 0 281.705 3.219 50 0 CGAARO O=C(Nc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069221219 284365816 /nfs/dbraw/zinc/36/58/16/284365816.db2.gz NHEVIOPCNBYGLC-MRXNPFEDSA-N 1 0 287.407 3.169 50 0 CGAARO Cc1ccc(Cl)c(NC(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000299790824 373614302 /nfs/dbraw/zinc/61/43/02/373614302.db2.gz CNWBYZQBVFKZDG-GFCCVEGCSA-N 1 0 295.814 3.302 50 0 CGAARO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000076040420 541910671 /nfs/dbraw/zinc/91/06/71/541910671.db2.gz YWJGGVQKLNIVAZ-RWMBFGLXSA-N 1 0 261.369 3.152 50 0 CGAARO c1ccc(N2CCC[C@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000089845615 541956240 /nfs/dbraw/zinc/95/62/40/541956240.db2.gz HSSFHLPEMNRDMB-HNNXBMFYSA-N 1 0 276.449 3.141 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H]2C[C@@H]3CCCc4cccc2c43)CC1 ZINC000090974642 541964525 /nfs/dbraw/zinc/96/45/25/541964525.db2.gz YZWGFWZTMLVDSN-YJBOKZPZSA-N 1 0 298.430 3.152 50 0 CGAARO Cc1[nH+]c2cc(NCc3cccc(O)c3)ccc2n1C ZINC000095429313 541991600 /nfs/dbraw/zinc/99/16/00/541991600.db2.gz HQGAFMHDPGLZOM-UHFFFAOYSA-N 1 0 267.332 3.199 50 0 CGAARO Clc1ccc(CC[N@@H+]2CCCSCC2)cc1 ZINC000253427715 189992053 /nfs/dbraw/zinc/99/20/53/189992053.db2.gz AMOOHZSDUUTGMN-UHFFFAOYSA-N 1 0 255.814 3.321 50 0 CGAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000195541249 376111539 /nfs/dbraw/zinc/11/15/39/376111539.db2.gz SYMRUWXBFXIQDV-RDBSUJKOSA-N 1 0 276.428 3.234 50 0 CGAARO CCc1nccc(C[N@H+](C)CCn2ccc3ccccc32)n1 ZINC000216017828 376157259 /nfs/dbraw/zinc/15/72/59/376157259.db2.gz AJMNDYZFTLNLHG-UHFFFAOYSA-N 1 0 294.402 3.126 50 0 CGAARO CC[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[C@H](O)C1 ZINC000223838524 376264601 /nfs/dbraw/zinc/26/46/01/376264601.db2.gz FXCCEKPJTXIRRN-SCRDCRAPSA-N 1 0 256.349 3.196 50 0 CGAARO CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000225462896 376311522 /nfs/dbraw/zinc/31/15/22/376311522.db2.gz CYWIIDSXQUVSQH-HNNXBMFYSA-N 1 0 274.408 3.186 50 0 CGAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2sccc2C)C1 ZINC000229857475 376473483 /nfs/dbraw/zinc/47/34/83/376473483.db2.gz PXHIJGJIGSDJGA-VBHSOAQHSA-N 1 0 285.478 3.226 50 0 CGAARO Clc1ccc(CC[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000241316953 376779240 /nfs/dbraw/zinc/77/92/40/376779240.db2.gz LWJQCZZRRJJSKL-MRXNPFEDSA-N 1 0 289.810 3.244 50 0 CGAARO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000241961404 376781513 /nfs/dbraw/zinc/78/15/13/376781513.db2.gz USFDSBFMULHJCR-QEJZJMRPSA-N 1 0 263.381 3.039 50 0 CGAARO CC(C)Cn1cncc1C[N@H+](C)CCc1ccccc1 ZINC000244718839 376795723 /nfs/dbraw/zinc/79/57/23/376795723.db2.gz LRUGRPVDUKDDRH-UHFFFAOYSA-N 1 0 271.408 3.214 50 0 CGAARO c1n[nH]cc1CC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000244778615 376795810 /nfs/dbraw/zinc/79/58/10/376795810.db2.gz PTSUPUNRQBOYRT-QGZVFWFLSA-N 1 0 269.392 3.049 50 0 CGAARO CN1CCCC[C@H]1C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC000244734413 376795904 /nfs/dbraw/zinc/79/59/04/376795904.db2.gz NFBNIMCPDAILAX-KRWDZBQOSA-N 1 0 288.435 3.056 50 0 CGAARO C[N@H+](CCc1ccccn1)C[C@H]1CCN(c2ccccc2)C1 ZINC000244852963 376799267 /nfs/dbraw/zinc/79/92/67/376799267.db2.gz VCSHSPWDGBIPOC-QGZVFWFLSA-N 1 0 295.430 3.082 50 0 CGAARO CCC[N@H+](Cc1cc(C2CC2)on1)[C@@H]1CCCC[C@H]1O ZINC000244646971 376793816 /nfs/dbraw/zinc/79/38/16/376793816.db2.gz GSODLJXLLIJENB-HUUCEWRRSA-N 1 0 278.396 3.068 50 0 CGAARO O=C(c1cccc(Cl)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058401325 296249546 /nfs/dbraw/zinc/24/95/46/296249546.db2.gz LNBZLJUFUSHZEQ-OAHLLOKOSA-N 1 0 292.810 3.040 50 0 CGAARO C[C@@H]1CC[N@H+](CCCn2ccnc2)[C@@H](c2ccco2)C1 ZINC000245882288 376924883 /nfs/dbraw/zinc/92/48/83/376924883.db2.gz NUNDUXKGDUPTGV-HUUCEWRRSA-N 1 0 273.380 3.339 50 0 CGAARO c1ncn(C[C@@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)n1 ZINC000247381290 377199201 /nfs/dbraw/zinc/19/92/01/377199201.db2.gz VWPVAXNWDSIRGT-QAPCUYQASA-N 1 0 296.418 3.068 50 0 CGAARO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@H]1CCCC[C@H]1C ZINC000249315254 377490895 /nfs/dbraw/zinc/49/08/95/377490895.db2.gz FHYGIPMNOAOINR-DOMZBBRYSA-N 1 0 276.428 3.322 50 0 CGAARO CCC[C@@H]([NH2+]Cc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000252481850 377628903 /nfs/dbraw/zinc/62/89/03/377628903.db2.gz CTWCNSGZSLXMFS-QGZVFWFLSA-N 1 0 298.434 3.482 50 0 CGAARO CC(C)COCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000252497697 377633163 /nfs/dbraw/zinc/63/31/63/377633163.db2.gz QNIDFRMAMIWJPX-UHFFFAOYSA-N 1 0 269.429 3.083 50 0 CGAARO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)CC(F)(F)F)C2)c1 ZINC000252537209 377637994 /nfs/dbraw/zinc/63/79/94/377637994.db2.gz KRGRTWXJMAWMNM-ZIAGYGMSSA-N 1 0 287.325 3.098 50 0 CGAARO CCC(O)(CC)C[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194873860 542277563 /nfs/dbraw/zinc/27/75/63/542277563.db2.gz RNTNMNYECCXHJI-HNNXBMFYSA-N 1 0 277.408 3.213 50 0 CGAARO CC1(C)C[C@@H]([C@@H](CC[NH3+])Cc2ccccc2)CCO1 ZINC000000244185 169584934 /nfs/dbraw/zinc/58/49/34/169584934.db2.gz IGPXGEIGHLYILV-HOTGVXAUSA-N 1 0 261.409 3.399 50 0 CGAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000000453371 169644356 /nfs/dbraw/zinc/64/43/56/169644356.db2.gz MYSPDBXFHBKHMI-UHFFFAOYSA-N 1 0 266.772 3.155 50 0 CGAARO CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000251738378 542347755 /nfs/dbraw/zinc/34/77/55/542347755.db2.gz SYOZACZHKPMCKL-BLNMRFBMSA-N 1 0 250.430 3.170 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000238852859 256869191 /nfs/dbraw/zinc/86/91/91/256869191.db2.gz HLJWXVNLMPURGL-MBNYWOFBSA-N 1 0 261.365 3.330 50 0 CGAARO Cc1ccsc1[C@H](C)[NH2+]CCCCn1ccccc1=O ZINC000095421235 184976523 /nfs/dbraw/zinc/97/65/23/184976523.db2.gz MNFZPZHMSMHKNP-AWEZNQCLSA-N 1 0 290.432 3.349 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000095466596 184995108 /nfs/dbraw/zinc/99/51/08/184995108.db2.gz XRPWXTUCVVCVCM-REWJHTLYSA-N 1 0 295.427 3.327 50 0 CGAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000019902100 391937691 /nfs/dbraw/zinc/93/76/91/391937691.db2.gz POVLRUJMWLEJER-CQSZACIVSA-N 1 0 288.416 3.089 50 0 CGAARO CC1=CCC2(CC1)COC(C(C)(C)C[NH+](C)C)OC2 ZINC000000517536 391910426 /nfs/dbraw/zinc/91/04/26/391910426.db2.gz VSLOIWINQDQAPA-UHFFFAOYSA-N 1 0 267.413 3.064 50 0 biogenic CGAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC3CCOCC3)nc2c1 ZINC000020862607 391942823 /nfs/dbraw/zinc/94/28/23/391942823.db2.gz PSHPIFMQIRHZBN-QGZVFWFLSA-N 1 0 299.418 3.435 50 0 CGAARO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(O)CC1)CCCO2 ZINC000090800544 392229633 /nfs/dbraw/zinc/22/96/33/392229633.db2.gz YMMAWKIFMTWHJD-XUJLQICISA-N 1 0 275.392 3.102 50 0 CGAARO c1csc(-c2nc(C[NH2+]C3CCOCC3)cs2)c1 ZINC000096403968 392248968 /nfs/dbraw/zinc/24/89/68/392248968.db2.gz NWDMJRIHGKSUOZ-UHFFFAOYSA-N 1 0 280.418 3.140 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)s1 ZINC000194388547 392917955 /nfs/dbraw/zinc/91/79/55/392917955.db2.gz VSDRCZSYBJXAPG-CYBMUJFWSA-N 1 0 275.421 3.468 50 0 CGAARO CC[C@@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1 ZINC000390834729 392927632 /nfs/dbraw/zinc/92/76/32/392927632.db2.gz UTPMXSORHJOBCX-RDJZCZTQSA-N 1 0 284.407 3.109 50 0 CGAARO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000390833382 392927817 /nfs/dbraw/zinc/92/78/17/392927817.db2.gz GTTKPWOTVYUTGG-HUBLWGQQSA-N 1 0 283.799 3.042 50 0 CGAARO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C1CCOCC1 ZINC000500403439 393827008 /nfs/dbraw/zinc/82/70/08/393827008.db2.gz ORNKNFKGGWUOKE-ZSMUJPCHSA-N 1 0 259.393 3.495 50 0 CGAARO Cc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1 ZINC000103655064 292029476 /nfs/dbraw/zinc/02/94/76/292029476.db2.gz SYYHNIKJAMACSC-UHFFFAOYSA-N 1 0 285.367 3.193 50 0 CGAARO COc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC1(F)F)C2 ZINC000670458310 543156802 /nfs/dbraw/zinc/15/68/02/543156802.db2.gz UGLCBRONMNBTNE-ZDUSSCGKSA-N 1 0 267.319 3.099 50 0 CGAARO C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)CC(C)(C)CO ZINC000670473587 543157570 /nfs/dbraw/zinc/15/75/70/543157570.db2.gz PQLMWFJSXDPZTD-UHFFFAOYSA-N 1 0 293.304 3.295 50 0 CGAARO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000216339426 296564325 /nfs/dbraw/zinc/56/43/25/296564325.db2.gz KDJZTQPBTVVZLA-FRRDWIJNSA-N 1 0 251.395 3.019 50 0 CGAARO CC(C)(C)[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1O ZINC000108173825 397653000 /nfs/dbraw/zinc/65/30/00/397653000.db2.gz MGJZOEVWELQRCB-UONOGXRCSA-N 1 0 294.464 3.249 50 0 CGAARO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000002663402 169819494 /nfs/dbraw/zinc/81/94/94/169819494.db2.gz AMORGMKKSNTPCK-KRWDZBQOSA-N 1 0 297.402 3.419 50 0 CGAARO Cc1ccc(OCCC[NH+](C)C)c(Br)c1 ZINC000002825524 169835494 /nfs/dbraw/zinc/83/54/94/169835494.db2.gz VBHISHATJKYSOP-UHFFFAOYSA-N 1 0 272.186 3.088 50 0 CGAARO Cc1cc(C)c(OCCOCC[NH+]2CCCC2)c(C)c1 ZINC000002895650 169842562 /nfs/dbraw/zinc/84/25/62/169842562.db2.gz WHKRSXBOKNUYHB-UHFFFAOYSA-N 1 0 277.408 3.103 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000004802435 170019175 /nfs/dbraw/zinc/01/91/75/170019175.db2.gz LOMXUTDFOIOUKC-GFCCVEGCSA-N 1 0 256.349 3.225 50 0 CGAARO CC(=O)CCc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004843187 170029046 /nfs/dbraw/zinc/02/90/46/170029046.db2.gz PLEVRBSOFBZOET-UHFFFAOYSA-N 1 0 275.392 3.073 50 0 CGAARO COc1cc(OC)c(OC)cc1C[NH2+]C1CCCCC1 ZINC000004997057 170052296 /nfs/dbraw/zinc/05/22/96/170052296.db2.gz LVQRIVYOTUIEAI-UHFFFAOYSA-N 1 0 279.380 3.135 50 0 CGAARO Clc1ccccc1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005557466 170113221 /nfs/dbraw/zinc/11/32/21/170113221.db2.gz OHZPWJQFNQRAMR-NSHDSACASA-N 1 0 295.795 3.440 50 0 CGAARO O=c1oc2ccccc2c(Cl)c1C[NH+]1CCCC1 ZINC000005669090 170126038 /nfs/dbraw/zinc/12/60/38/170126038.db2.gz SJRURPAAESSENI-UHFFFAOYSA-N 1 0 263.724 3.042 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005908186 170153502 /nfs/dbraw/zinc/15/35/02/170153502.db2.gz GRZALUFOYNUEJI-CQSZACIVSA-N 1 0 291.416 3.188 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000005907671 170153906 /nfs/dbraw/zinc/15/39/06/170153906.db2.gz GRZALUFOYNUEJI-AWEZNQCLSA-N 1 0 291.416 3.188 50 0 CGAARO O[C@H](C[NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000006703798 170230729 /nfs/dbraw/zinc/23/07/29/170230729.db2.gz KGVMWXOXZIZYGK-PYUISTEWSA-N 1 0 253.345 3.023 50 0 CGAARO Nc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000008013612 170313614 /nfs/dbraw/zinc/31/36/14/170313614.db2.gz QYVPLFHAOLRMBY-UHFFFAOYSA-N 1 0 281.237 3.279 50 0 CGAARO c1coc(C[NH2+]CCSCc2cccs2)c1 ZINC000008232263 170326085 /nfs/dbraw/zinc/32/60/85/170326085.db2.gz ILDNRZDMRBPQHZ-UHFFFAOYSA-N 1 0 253.392 3.364 50 0 CGAARO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C)CC1 ZINC000008318339 170330609 /nfs/dbraw/zinc/33/06/09/170330609.db2.gz PQDIARDIJNKCPG-CYBMUJFWSA-N 1 0 294.826 3.077 50 0 CGAARO CCOc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000008324493 170330889 /nfs/dbraw/zinc/33/08/89/170330889.db2.gz KWAVDBSKYJYMJB-UHFFFAOYSA-N 1 0 270.170 3.100 50 0 CGAARO [NH3+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012760957 170507957 /nfs/dbraw/zinc/50/79/57/170507957.db2.gz UUQMQEWIHOMHMN-UHFFFAOYSA-N 1 0 271.360 3.383 50 0 CGAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013667765 170575098 /nfs/dbraw/zinc/57/50/98/170575098.db2.gz QVJDCHHVMNDZOX-HZPDHXFCSA-N 1 0 288.435 3.093 50 0 CGAARO COc1cccc(CC[NH2+]Cc2ccc(C)cc2)c1 ZINC000019210411 170754896 /nfs/dbraw/zinc/75/48/96/170754896.db2.gz UFEDDTQMJVOUJC-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cn1 ZINC000020186509 171050758 /nfs/dbraw/zinc/05/07/58/171050758.db2.gz VQULZOPRBDDILJ-UHFFFAOYSA-N 1 0 268.769 3.095 50 0 CGAARO Clc1ccc(SCCCCN2CC[NH2+]CC2)cc1 ZINC000020272555 171127844 /nfs/dbraw/zinc/12/78/44/171127844.db2.gz HTWRVXQXRQFGJO-UHFFFAOYSA-N 1 0 284.856 3.118 50 0 CGAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H](CO)C(C)(C)C ZINC000020455656 171208126 /nfs/dbraw/zinc/20/81/26/171208126.db2.gz XWQVCDRJCNTOBR-SMDDNHRTSA-N 1 0 269.816 3.268 50 0 CGAARO CC[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000020608756 171267378 /nfs/dbraw/zinc/26/73/78/171267378.db2.gz GJRWFGOVGYFRSE-UHFFFAOYSA-N 1 0 288.416 3.115 50 0 CGAARO c1ccc(CC[C@@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000020919280 171279723 /nfs/dbraw/zinc/27/97/23/171279723.db2.gz NJNGOOZMKJJSAC-QGZVFWFLSA-N 1 0 291.460 3.216 50 0 CGAARO C/C=C(\C)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455384 171388247 /nfs/dbraw/zinc/38/82/47/171388247.db2.gz GWDYYIIJGQJYPN-VJOITTNLSA-N 1 0 270.420 3.284 50 0 CGAARO CC(C)c1cc(NC(=O)C[N@H+](C)C2CCCCC2)on1 ZINC000022474432 171388639 /nfs/dbraw/zinc/38/86/39/171388639.db2.gz BFQGYKUGJRSLAT-UHFFFAOYSA-N 1 0 279.384 3.001 50 0 CGAARO CN(CC[NH+](C)C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000022586565 171392895 /nfs/dbraw/zinc/39/28/95/171392895.db2.gz OMKBYZXNRRNTGX-UHFFFAOYSA-N 1 0 280.415 3.251 50 0 CGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C(C)(C)C)c2ccc(C)cc12 ZINC000028297041 171555969 /nfs/dbraw/zinc/55/59/69/171555969.db2.gz PIYLSYWDJPBLGI-OAHLLOKOSA-N 1 0 288.435 3.316 50 0 CGAARO FC(F)(F)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000038580833 174148369 /nfs/dbraw/zinc/14/83/69/174148369.db2.gz KKPUWFLCFQDJIN-SNVBAGLBSA-N 1 0 259.271 3.084 50 0 CGAARO COc1ncc(C)cc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000039961335 174179695 /nfs/dbraw/zinc/17/96/95/174179695.db2.gz AHBXRADRQXAJOS-INIZCTEOSA-N 1 0 282.387 3.388 50 0 CGAARO C[C@@H]1CCC[N@H+](CCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000040145628 174194664 /nfs/dbraw/zinc/19/46/64/174194664.db2.gz SFZZFUJWBJHBSB-GFCCVEGCSA-N 1 0 295.814 3.193 50 0 CGAARO CCc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774808 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CGAARO CCS[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000253369857 346394461 /nfs/dbraw/zinc/39/44/61/346394461.db2.gz IXQHBWYEJKCFHZ-SCRDCRAPSA-N 1 0 279.453 3.061 50 0 CGAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000409421147 346605062 /nfs/dbraw/zinc/60/50/62/346605062.db2.gz PDOGVMSJWCXQFU-MRXNPFEDSA-N 1 0 284.407 3.156 50 0 CGAARO COc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000014195031 136571293 /nfs/dbraw/zinc/57/12/93/136571293.db2.gz XWQDPQPOZOHIPP-UHFFFAOYSA-N 1 0 282.387 3.017 50 0 CGAARO O[C@H]1CC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000601012554 347852203 /nfs/dbraw/zinc/85/22/03/347852203.db2.gz KZHPUOOVICRESI-ROUUACIJSA-N 1 0 267.372 3.212 50 0 CGAARO C[NH+](C)Cc1cccc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000092051254 180313449 /nfs/dbraw/zinc/31/34/49/180313449.db2.gz LWWJFMFUSHKSFA-UHFFFAOYSA-N 1 0 296.370 3.031 50 0 CGAARO C[C@@H]1C[N@H+](CCc2ccncc2)[C@@H](c2ccccc2)CO1 ZINC000110642662 186308737 /nfs/dbraw/zinc/30/87/37/186308737.db2.gz JUOAKKYALIMDJI-CRAIPNDOSA-N 1 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IKKFMIKMRRQBEN-LSDHHAIUSA-N 1 0 267.800 3.430 50 0 CGAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000000360055 368348666 /nfs/dbraw/zinc/34/86/66/368348666.db2.gz SYUVCJPLLLRCOY-NSHDSACASA-N 1 0 290.190 3.271 50 0 CGAARO C[C@@H](C[NH+](C)C)OC(=O)c1ccc(Cl)cc1Cl ZINC000000397026 368357679 /nfs/dbraw/zinc/35/76/79/368357679.db2.gz CVCZHQBRAFHFAW-QMMMGPOBSA-N 1 0 276.163 3.100 50 0 CGAARO CC1=C[C@@H](C)C(=O)N(CCC[NH+]2CCCCC2)C(C)=C1 ZINC000002039335 368444552 /nfs/dbraw/zinc/44/45/52/368444552.db2.gz ZLJVZJCYDIVNIN-OAHLLOKOSA-N 1 0 276.424 3.191 50 0 CGAARO CCN(C(=O)C[NH+](CC)CC)[C@@H](C)CCCC(C)C ZINC000002168034 368448431 /nfs/dbraw/zinc/44/84/31/368448431.db2.gz WSSVAIYTPRFILW-HNNXBMFYSA-N 1 0 270.461 3.392 50 0 CGAARO CC[NH+](CC)CCOC(=O)Nc1cccc(C)c1C ZINC000002172139 368448732 /nfs/dbraw/zinc/44/87/32/368448732.db2.gz GNKFNYRXRSOLBG-UHFFFAOYSA-N 1 0 264.369 3.194 50 0 CGAARO Nc1cccnc1N1CCC(c2ccccc2)CC1 ZINC000001730336 368435664 /nfs/dbraw/zinc/43/56/64/368435664.db2.gz SYNLRHKAAZZRKZ-UHFFFAOYSA-N 1 0 253.349 3.048 50 0 CGAARO c1coc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000002382998 368453656 /nfs/dbraw/zinc/45/36/56/368453656.db2.gz LUDPAPHRXZBKJI-UHFFFAOYSA-N 1 0 270.376 3.034 50 0 CGAARO CN(C)c1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000003277816 368500673 /nfs/dbraw/zinc/50/06/73/368500673.db2.gz DUBXLRJWMBQVJY-MRXNPFEDSA-N 1 0 279.387 3.325 50 0 CGAARO OCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000002845823 368481471 /nfs/dbraw/zinc/48/14/71/368481471.db2.gz AANJUNIAPKHKBE-UHFFFAOYSA-N 1 0 291.778 3.001 50 0 CGAARO CC[NH+](CC)CCCNCc1ccc(F)cc1Cl ZINC000002933157 368485189 /nfs/dbraw/zinc/48/51/89/368485189.db2.gz HRVQJBJPRHXDEA-UHFFFAOYSA-N 1 0 272.795 3.301 50 0 CGAARO CC[C@H](C)c1ccc(OCC[NH2+]CCCOC)cc1 ZINC000003000476 368488196 /nfs/dbraw/zinc/48/81/96/368488196.db2.gz HXRCCKYLNBUNHL-AWEZNQCLSA-N 1 0 265.397 3.205 50 0 CGAARO Ic1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000003734446 368517992 /nfs/dbraw/zinc/51/79/92/368517992.db2.gz ABSDQHSIOHGGIG-LLVKDONJSA-N 1 0 287.144 3.106 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000003865231 368521713 /nfs/dbraw/zinc/52/17/13/368521713.db2.gz QZSYUWQELBNZEE-UXLLHSPISA-N 1 0 291.435 3.021 50 0 CGAARO CCOC1(OCC)CC[NH+](Cc2ccccc2)CC1 ZINC000003882870 368522438 /nfs/dbraw/zinc/52/24/38/368522438.db2.gz BIWIVGCTGYSXRF-UHFFFAOYSA-N 1 0 263.381 3.052 50 0 CGAARO CC1(C)CC(CCOC(=O)c2ccco2)CC(C)(C)[NH2+]1 ZINC000004690187 368557249 /nfs/dbraw/zinc/55/72/49/368557249.db2.gz RJDJLSKCVJHCKG-UHFFFAOYSA-N 1 0 279.380 3.383 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1C ZINC000004173887 368535607 /nfs/dbraw/zinc/53/56/07/368535607.db2.gz UBWDAHBWWAEZLS-SJLPKXTDSA-N 1 0 299.414 3.394 50 0 CGAARO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)O)o2)cc1Cl ZINC000004344243 368543861 /nfs/dbraw/zinc/54/38/61/368543861.db2.gz AWEZFGYWQMKKIQ-JTQLQIEISA-N 1 0 295.766 3.079 50 0 CGAARO CC(C)C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731594 368664332 /nfs/dbraw/zinc/66/43/32/368664332.db2.gz GDISEQNEROCURV-UHFFFAOYSA-N 1 0 257.337 3.015 50 0 CGAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC000011936758 368601381 /nfs/dbraw/zinc/60/13/81/368601381.db2.gz YHDKDDLIBMRPEZ-QGZVFWFLSA-N 1 0 283.419 3.265 50 0 CGAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]CC1CCCCC1)(C3)C2 ZINC000013729425 368664909 /nfs/dbraw/zinc/66/49/09/368664909.db2.gz AJWUXVCGGBOKFY-RYTJFDOTSA-N 1 0 263.425 3.240 50 0 CGAARO C[C@@H](CNC(=O)Nc1cccc(F)c1)[NH+]1CCC(C)CC1 ZINC000012223549 368606203 /nfs/dbraw/zinc/60/62/03/368606203.db2.gz XZVOPYDVTLYHBW-ZDUSSCGKSA-N 1 0 293.386 3.068 50 0 CGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccco2)cc1 ZINC000012529356 368617243 /nfs/dbraw/zinc/61/72/43/368617243.db2.gz RYHCUCCNDDNCIW-UHFFFAOYSA-N 1 0 271.295 3.099 50 0 CGAARO Brc1ccccc1C[NH+]1CCCCC1 ZINC000016123676 368707951 /nfs/dbraw/zinc/70/79/51/368707951.db2.gz YHPWAILJEPQMRO-UHFFFAOYSA-N 1 0 254.171 3.435 50 0 CGAARO C[N@@H+]1CCCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000016189036 368708259 /nfs/dbraw/zinc/70/82/59/368708259.db2.gz OCVDXXDFQKQGRJ-UHFFFAOYSA-N 1 0 283.375 3.009 50 0 CGAARO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000016513627 368713296 /nfs/dbraw/zinc/71/32/96/368713296.db2.gz OLKWDDWGFDGSJI-OKILXGFUSA-N 1 0 255.361 3.449 50 0 CGAARO CC(C)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000016606074 368716822 /nfs/dbraw/zinc/71/68/22/368716822.db2.gz SKYLKYHSGNXGRX-UHFFFAOYSA-N 1 0 274.408 3.026 50 0 CGAARO CSc1cccc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013945051 368670782 /nfs/dbraw/zinc/67/07/82/368670782.db2.gz MLRMXHDSZBUODE-BETUJISGSA-N 1 0 292.448 3.325 50 0 CGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1 ZINC000014159470 368675768 /nfs/dbraw/zinc/67/57/68/368675768.db2.gz VNTHPPUYJWLXER-OAHLLOKOSA-N 1 0 299.374 3.238 50 0 CGAARO c1ccc(Cc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631662 368682803 /nfs/dbraw/zinc/68/28/03/368682803.db2.gz ZDLQOHMCALKCGB-QGZVFWFLSA-N 1 0 267.372 3.408 50 0 CGAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000014915386 368686614 /nfs/dbraw/zinc/68/66/14/368686614.db2.gz TWQWCUKNLWRFAG-CYBMUJFWSA-N 1 0 294.826 3.077 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1ccccc1C ZINC000019720849 368761542 /nfs/dbraw/zinc/76/15/42/368761542.db2.gz XMRDJUIXAMPDCX-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO COc1ccc(OC)c(C[NH2+]CCc2ccccc2)c1 ZINC000019720889 368761859 /nfs/dbraw/zinc/76/18/59/368761859.db2.gz IAEIRIQVUSGNFI-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1 ZINC000019720745 368762022 /nfs/dbraw/zinc/76/20/22/368762022.db2.gz LFRKZBANRVTNOS-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Cc1ccc(C)c(O[C@H](C)C[NH2+]Cc2ccco2)c1 ZINC000019737998 368763339 /nfs/dbraw/zinc/76/33/39/368763339.db2.gz UWECMXAXWQCTNR-CQSZACIVSA-N 1 0 259.349 3.454 50 0 CGAARO CC[C@H](C)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019771308 368764281 /nfs/dbraw/zinc/76/42/81/368764281.db2.gz FLVMORHXRGELLD-CXTNYUCXSA-N 1 0 276.468 3.227 50 0 CGAARO CC[C@@H](C)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019771307 368764684 /nfs/dbraw/zinc/76/46/84/368764684.db2.gz FLVMORHXRGELLD-RGYNNNPXSA-N 1 0 276.468 3.227 50 0 CGAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788138 368765281 /nfs/dbraw/zinc/76/52/81/368765281.db2.gz YENWJFPWRVSWLY-CYBMUJFWSA-N 1 0 266.816 3.256 50 0 CGAARO [NH3+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000019841508 368771788 /nfs/dbraw/zinc/77/17/88/368771788.db2.gz ACOUQABLVLKBMO-HNNXBMFYSA-N 1 0 275.735 3.159 50 0 CGAARO Oc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019376169 368750708 /nfs/dbraw/zinc/75/07/08/368750708.db2.gz QENZPDLDEMHHOC-MRXNPFEDSA-N 1 0 264.328 3.109 50 0 biogenic,in-vitro CGAARO CC[NH+](CC)CCN(C)C/C(C)=C/c1ccccc1 ZINC000019634633 368758138 /nfs/dbraw/zinc/75/81/38/368758138.db2.gz NSDIWGCCBWLDNR-JQIJEIRASA-N 1 0 260.425 3.364 50 0 CGAARO Clc1ccccc1N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000020538913 368808979 /nfs/dbraw/zinc/80/89/79/368808979.db2.gz CZJBWSNIYXTZRG-AWEZNQCLSA-N 1 0 294.826 3.031 50 0 CGAARO CC1CCC2(CC1)NCC[NH+]=C2NC1CCCCCC1 ZINC000022938548 368813626 /nfs/dbraw/zinc/81/36/26/368813626.db2.gz CJGYRIOSTODTKR-UHFFFAOYSA-N 1 0 277.456 3.249 50 0 biogenic CGAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000022936128 368814750 /nfs/dbraw/zinc/81/47/50/368814750.db2.gz XVCWYWQVZDVTBI-AWEZNQCLSA-N 1 0 297.240 3.023 50 0 CGAARO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000023279869 368818865 /nfs/dbraw/zinc/81/88/65/368818865.db2.gz ZKISNMZYDPWJGZ-MAUKXSAKSA-N 1 0 269.388 3.456 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000023282491 368820747 /nfs/dbraw/zinc/82/07/47/368820747.db2.gz UIMYDXHOAZNLNB-CQSZACIVSA-N 1 0 270.376 3.201 50 0 CGAARO CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000024083125 368829489 /nfs/dbraw/zinc/82/94/89/368829489.db2.gz RZHNZKABKZGIEM-QGZVFWFLSA-N 1 0 255.361 3.242 50 0 CGAARO Cc1ccc(Cl)c2sc(NCC[NH+](C)C)nc21 ZINC000026424061 368858238 /nfs/dbraw/zinc/85/82/38/368858238.db2.gz YIZZKDFLRAXXRD-UHFFFAOYSA-N 1 0 269.801 3.232 50 0 CGAARO CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583831 368873185 /nfs/dbraw/zinc/87/31/85/368873185.db2.gz AZMDJVMZHUVNAC-OAHLLOKOSA-N 1 0 294.826 3.393 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)o1)c1cccs1 ZINC000027679195 368875277 /nfs/dbraw/zinc/87/52/77/368875277.db2.gz KQWUGVSXUVYZHZ-SECBINFHSA-N 1 0 298.795 3.027 50 0 CGAARO Clc1cccc(C[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000030900991 368907884 /nfs/dbraw/zinc/90/78/84/368907884.db2.gz PNWLUCBMHVOLJN-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCCCC2)c(C)c1 ZINC000032150600 368927579 /nfs/dbraw/zinc/92/75/79/368927579.db2.gz BBNPKSTYDVSKHD-QGZVFWFLSA-N 1 0 291.435 3.356 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CC2(C)CC2)c(C)c1 ZINC000032578225 368936033 /nfs/dbraw/zinc/93/60/33/368936033.db2.gz NXUOFEBMOXRXAC-HOTGVXAUSA-N 1 0 291.435 3.211 50 0 CGAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099219 369009189 /nfs/dbraw/zinc/00/91/89/369009189.db2.gz QRJIYRZSSSAWNT-HNNXBMFYSA-N 1 0 299.480 3.382 50 0 CGAARO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000036168101 369012405 /nfs/dbraw/zinc/01/24/05/369012405.db2.gz ZYQIREPHLRKKNT-INIZCTEOSA-N 1 0 281.355 3.235 50 0 CGAARO Cc1ccccc1-c1cccc(CN2CC[NH2+]CC2)c1 ZINC000041383835 369182267 /nfs/dbraw/zinc/18/22/67/369182267.db2.gz KPFUGUIFVIUYPR-UHFFFAOYSA-N 1 0 266.388 3.067 50 0 CGAARO FC(F)(F)c1cc([C@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000043513163 369253312 /nfs/dbraw/zinc/25/33/12/369253312.db2.gz YADZLVYDMFXNIX-SNVBAGLBSA-N 1 0 299.214 3.385 50 0 CGAARO C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CCCCO1 ZINC000042977849 369239242 /nfs/dbraw/zinc/23/92/42/369239242.db2.gz IADIMGRZJRUMKN-ZDUSSCGKSA-N 1 0 253.773 3.341 50 0 CGAARO COC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000043763908 369257350 /nfs/dbraw/zinc/25/73/50/369257350.db2.gz CGUGCZSRPDCLBT-QGZVFWFLSA-N 1 0 267.372 3.329 50 0 CGAARO NC(=O)c1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000048374559 369345234 /nfs/dbraw/zinc/34/52/34/369345234.db2.gz ZUJNWPCYMGONAN-UHFFFAOYSA-N 1 0 298.386 3.323 50 0 CGAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)sc1Cl ZINC000227289336 189782747 /nfs/dbraw/zinc/78/27/47/189782747.db2.gz FGXBRLBRRBQTQB-BQBZGAKWSA-N 1 0 293.219 3.007 50 0 CGAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000049801445 369416776 /nfs/dbraw/zinc/41/67/76/369416776.db2.gz SWABMRJFHYYKDQ-HNNXBMFYSA-N 1 0 286.375 3.079 50 0 CGAARO CCC1CCC([N@H+](Cc2nnc(C)o2)C2CC2)CC1 ZINC000052103442 369464858 /nfs/dbraw/zinc/46/48/58/369464858.db2.gz LUEVCFCDKOTADK-UHFFFAOYSA-N 1 0 263.385 3.311 50 0 CGAARO OCC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052820129 369472177 /nfs/dbraw/zinc/47/21/77/369472177.db2.gz QKANWJRWYGNDBF-UHFFFAOYSA-N 1 0 290.794 3.093 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)c1 ZINC000054218688 369498394 /nfs/dbraw/zinc/49/83/94/369498394.db2.gz OODAZHFXYDAPFA-DZGCQCFKSA-N 1 0 298.390 3.144 50 0 CGAARO c1cc(C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000055543790 369520353 /nfs/dbraw/zinc/52/03/53/369520353.db2.gz MZMIWJFZXGSDDG-UHFFFAOYSA-N 1 0 258.390 3.070 50 0 CGAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)[NH+]1CCCCC1 ZINC000055932615 369523479 /nfs/dbraw/zinc/52/34/79/369523479.db2.gz RFEYABKOWIHEJT-ZDUSSCGKSA-N 1 0 286.375 3.037 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000058013694 369553766 /nfs/dbraw/zinc/55/37/66/369553766.db2.gz JHPGPSJPGNDIDC-NSHDSACASA-N 1 0 261.325 3.094 50 0 CGAARO C[NH+](C)C1(CNC(=O)NC2CCCCCCC2)CCCC1 ZINC000060910319 369593409 /nfs/dbraw/zinc/59/34/09/369593409.db2.gz PMFXMDAJKBDPAX-UHFFFAOYSA-N 1 0 295.471 3.273 50 0 CGAARO CCCc1nccn1-c1cccc(C[NH+]2CCCC2)c1 ZINC000065372049 369669497 /nfs/dbraw/zinc/66/94/97/369669497.db2.gz JRPPPNCRYLDDGM-UHFFFAOYSA-N 1 0 269.392 3.421 50 0 CGAARO C1CCC2(CC1)NCCC[NH+]=C2NC1CCCCCC1 ZINC000064761535 369659745 /nfs/dbraw/zinc/65/97/45/369659745.db2.gz XLWKJDIDELIHOE-UHFFFAOYSA-N 1 0 277.456 3.394 50 0 biogenic CGAARO C/C=C(\C)C[N@H+]1CC[C@@H](c2cc(OC)ccc2OC)C1 ZINC000065452939 369677642 /nfs/dbraw/zinc/67/76/42/369677642.db2.gz RYLBOMBMOILHHT-BRRGFWCPSA-N 1 0 275.392 3.459 50 0 CGAARO Fc1cccc([C@@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000069812347 369772631 /nfs/dbraw/zinc/77/26/31/369772631.db2.gz JJMAYSMGRGVODX-OAHLLOKOSA-N 1 0 256.324 3.210 50 0 CGAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccn2)c(OC)c1 ZINC000069375347 369757627 /nfs/dbraw/zinc/75/76/27/369757627.db2.gz DUWVEVGIXIKKFH-QGZVFWFLSA-N 1 0 298.386 3.436 50 0 CGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000069376331 369757775 /nfs/dbraw/zinc/75/77/75/369757775.db2.gz IPGKPLPNCOKNJW-ZDUSSCGKSA-N 1 0 298.415 3.185 50 0 CGAARO c1csc(C[N@@H+](CCc2ccncc2)C2CC2)c1 ZINC000069414805 369759036 /nfs/dbraw/zinc/75/90/36/369759036.db2.gz SFZSWZOZCSIBAQ-UHFFFAOYSA-N 1 0 258.390 3.350 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534839 369763169 /nfs/dbraw/zinc/76/31/69/369763169.db2.gz JYWGIVJNOTYUES-CXAGYDPISA-N 1 0 292.386 3.097 50 0 CGAARO C[NH+]1CCC(Cc2noc(-c3sccc3Cl)n2)CC1 ZINC000067742410 369727676 /nfs/dbraw/zinc/72/76/76/369727676.db2.gz BBTFVKFRFLDGLB-UHFFFAOYSA-N 1 0 297.811 3.336 50 0 CGAARO O[C@H]1C[N@H+](Cc2cc3ccccc3o2)Cc2ccccc21 ZINC000082121621 369999722 /nfs/dbraw/zinc/99/97/22/369999722.db2.gz DMJDNGWYOCVGNS-KRWDZBQOSA-N 1 0 279.339 3.482 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000084023582 370011041 /nfs/dbraw/zinc/01/10/41/370011041.db2.gz ZGWLBOSYTVDHBH-LBPRGKRZSA-N 1 0 296.374 3.328 50 0 CGAARO CO[C@@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1Cl ZINC000090453361 370060266 /nfs/dbraw/zinc/06/02/66/370060266.db2.gz XLFPELFYQJDZDO-LRDDRELGSA-N 1 0 297.826 3.432 50 0 CGAARO COc1ccccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812827 370103493 /nfs/dbraw/zinc/10/34/93/370103493.db2.gz UENOCMMTXXMQKC-OAHLLOKOSA-N 1 0 297.402 3.024 50 0 CGAARO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccsc2)c1 ZINC000089913468 370049929 /nfs/dbraw/zinc/04/99/29/370049929.db2.gz PDEROXNMUPNULT-XHDPSFHLSA-N 1 0 277.389 3.141 50 0 CGAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000089948940 370051859 /nfs/dbraw/zinc/05/18/59/370051859.db2.gz ZHACFUTXNBBPCE-FUHWJXTLSA-N 1 0 288.435 3.040 50 0 CGAARO CC(C)[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1[NH+](C)C ZINC000095362935 370179731 /nfs/dbraw/zinc/17/97/31/370179731.db2.gz XKAQVTBCCHFRTC-GXTWGEPZSA-N 1 0 289.448 3.319 50 0 CGAARO c1ncc(C[N@H+]2CCC[C@H](COc3ccccc3)C2)s1 ZINC000093364664 370120449 /nfs/dbraw/zinc/12/04/49/370120449.db2.gz QPSABQLUWOXZEE-AWEZNQCLSA-N 1 0 288.416 3.434 50 0 CGAARO CO[C@H](C)c1nc(C[NH+]2C[C@H]3CC=CC[C@@H]3C2)cs1 ZINC000095406261 370183541 /nfs/dbraw/zinc/18/35/41/370183541.db2.gz DNAYWIZAHIRSBF-JHJVBQTASA-N 1 0 278.421 3.249 50 0 CGAARO Cc1ncsc1C[N@H+](C[C@@H](O)c1ccccc1)C1CC1 ZINC000093533439 370139057 /nfs/dbraw/zinc/13/90/57/370139057.db2.gz KSRDIFZXMZDCML-OAHLLOKOSA-N 1 0 288.416 3.150 50 0 CGAARO C[C@@H]1C[C@H](N(C)Cc2cc(F)c(F)cc2F)CC[N@@H+]1C ZINC000093644945 370152755 /nfs/dbraw/zinc/15/27/55/370152755.db2.gz NDYDITFXUMLQSD-ZYHUDNBSSA-N 1 0 286.341 3.018 50 0 CGAARO CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2CSC)c1C ZINC000093760674 370155169 /nfs/dbraw/zinc/15/51/69/370155169.db2.gz DJPJPIQNQPHBFC-AWEZNQCLSA-N 1 0 281.469 3.237 50 0 CGAARO Cc1cccc2c(CC[NH2+][C@H](C)CCn3cccn3)c[nH]c21 ZINC000097049309 370219574 /nfs/dbraw/zinc/21/95/74/370219574.db2.gz CSXYKNDNVMLWQM-OAHLLOKOSA-N 1 0 296.418 3.284 50 0 CGAARO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111186 370226192 /nfs/dbraw/zinc/22/61/92/370226192.db2.gz UXFBXLZJJWHSFP-LSDHHAIUSA-N 1 0 292.354 3.205 50 0 CGAARO CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C[NH3+])o1 ZINC000097229057 370235470 /nfs/dbraw/zinc/23/54/70/370235470.db2.gz HXHHJPVRJSAXBH-UHFFFAOYSA-N 1 0 298.386 3.455 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(SC)c1 ZINC000097773087 370254879 /nfs/dbraw/zinc/25/48/79/370254879.db2.gz IYDSJWNQFMGDLE-AWEZNQCLSA-N 1 0 265.422 3.409 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000097797301 370254761 /nfs/dbraw/zinc/25/47/61/370254761.db2.gz CYFOQNMYRIMESV-CYBMUJFWSA-N 1 0 283.799 3.350 50 0 CGAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)CSC(C)(C)C ZINC000095419711 370187220 /nfs/dbraw/zinc/18/72/20/370187220.db2.gz VBBQIFXIZLIJPJ-LLVKDONJSA-N 1 0 283.485 3.089 50 0 CGAARO Cc1cccc([C@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000095421124 370188768 /nfs/dbraw/zinc/18/87/68/370188768.db2.gz XKOMLUHRMNRHFF-HNNXBMFYSA-N 1 0 292.386 3.427 50 0 CGAARO CCOC[C@H](C)[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422678 370189888 /nfs/dbraw/zinc/18/98/88/370189888.db2.gz KGBUUJDQPSLBLY-TVQRCGJNSA-N 1 0 292.206 3.041 50 0 CGAARO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cnn1C ZINC000095440002 370193571 /nfs/dbraw/zinc/19/35/71/370193571.db2.gz BGYSUVLXPBOPGY-LBPRGKRZSA-N 1 0 269.392 3.068 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)o1 ZINC000095448887 370195527 /nfs/dbraw/zinc/19/55/27/370195527.db2.gz XVJPKOXYAVBDCG-MEDUHNTESA-N 1 0 277.339 3.329 50 0 CGAARO C[NH+](C)C[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000095446727 370195847 /nfs/dbraw/zinc/19/58/47/370195847.db2.gz GZOIRMDGMWECGY-LBPRGKRZSA-N 1 0 284.806 3.253 50 0 CGAARO COc1ccc(C(c2ccc(OC)cc2)[NH+](C)C)cc1 ZINC000144803777 371516180 /nfs/dbraw/zinc/51/61/80/371516180.db2.gz PUQHSURPFOSYBS-UHFFFAOYSA-N 1 0 271.360 3.355 50 0 CGAARO CC(C)C[N@H+](Cc1cncnc1)[C@H]1CCCc2cccnc21 ZINC000155223975 371914854 /nfs/dbraw/zinc/91/48/54/371914854.db2.gz VMGBCIJHHWDBGE-KRWDZBQOSA-N 1 0 296.418 3.407 50 0 CGAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000170084449 372634042 /nfs/dbraw/zinc/63/40/42/372634042.db2.gz FROSOABDDFHCFD-ZIAGYGMSSA-N 1 0 280.437 3.194 50 0 CGAARO O=C(Nc1ccccc1)C12CC[NH+](CC1)Cc1ccccc12 ZINC000001891577 284365900 /nfs/dbraw/zinc/36/59/00/284365900.db2.gz ZKFZIRKJGNRVAO-UHFFFAOYSA-N 1 0 292.382 3.173 50 0 CGAARO COC[C@@H](C)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000299759590 373608733 /nfs/dbraw/zinc/60/87/33/373608733.db2.gz VAYMXLAOWARLAI-CYBMUJFWSA-N 1 0 263.381 3.133 50 0 CGAARO [NH3+]C[C@@H]1Cc2c(ccc3cc(-c4cccnc4)ccc23)O1 ZINC000299769516 373612602 /nfs/dbraw/zinc/61/26/02/373612602.db2.gz SDQUJKHLOJUSAT-HNNXBMFYSA-N 1 0 276.339 3.164 50 0 CGAARO [NH3+]C[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1 ZINC000299792639 373614426 /nfs/dbraw/zinc/61/44/26/373614426.db2.gz GPCMUENNGPZOLI-HNNXBMFYSA-N 1 0 294.329 3.303 50 0 CGAARO c1nc(-c2ccccc2)[nH]c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000180026464 373954758 /nfs/dbraw/zinc/95/47/58/373954758.db2.gz LXQIOHCILLTGKQ-CQSZACIVSA-N 1 0 297.402 3.078 50 0 CGAARO OC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000328594056 374367890 /nfs/dbraw/zinc/36/78/90/374367890.db2.gz MGPNVSWYJUHNLV-IHPCNDPISA-N 1 0 293.410 3.382 50 0 CGAARO c1cc2c3c(c1)CCC[C@H]3C[C@@H]2[NH2+]C1CCOCC1 ZINC000090974674 541965263 /nfs/dbraw/zinc/96/52/63/541965263.db2.gz WVOUDZHOURGBPI-BBRMVZONSA-N 1 0 257.377 3.320 50 0 CGAARO Nc1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)ccn1 ZINC000191516642 375636156 /nfs/dbraw/zinc/63/61/56/375636156.db2.gz WBNILSXIOVJCEN-HNNXBMFYSA-N 1 0 299.443 3.278 50 0 CGAARO COc1cc(C[N@H+](Cc2cccnc2C)C2CC2)ccc1O ZINC000191511690 375637090 /nfs/dbraw/zinc/63/70/90/375637090.db2.gz HBXRTCWJNSEYOM-UHFFFAOYSA-N 1 0 298.386 3.269 50 0 CGAARO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccnc(N)c1 ZINC000193349879 375865327 /nfs/dbraw/zinc/86/53/27/375865327.db2.gz CIBPRFHGXLLEAZ-XJKSGUPXSA-N 1 0 267.376 3.042 50 0 CGAARO COC[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000215139755 376146478 /nfs/dbraw/zinc/14/64/78/376146478.db2.gz FMDACJJIDYHXOI-CYBMUJFWSA-N 1 0 288.416 3.278 50 0 CGAARO COc1c(F)cccc1C[N@H+](C)CCC[C@H]1CCCO1 ZINC000215803102 376152189 /nfs/dbraw/zinc/15/21/89/376152189.db2.gz JWBVLIUXKFSMBW-AWEZNQCLSA-N 1 0 281.371 3.225 50 0 CGAARO C[C@@H](C[NH+]1CCC(c2ccnc(N)n2)CC1)c1ccccc1 ZINC000216256690 376160443 /nfs/dbraw/zinc/16/04/43/376160443.db2.gz WVGKRSWVYALIED-AWEZNQCLSA-N 1 0 296.418 3.042 50 0 CGAARO COCCn1ccnc1CN(C)[C@H]1CCCc2ccccc21 ZINC000216404408 376163759 /nfs/dbraw/zinc/16/37/59/376163759.db2.gz ZAUSGDQIFCHDPR-KRWDZBQOSA-N 1 0 299.418 3.039 50 0 CGAARO [NH3+]C1CC(c2cc(NCCCCc3ccccc3)ncn2)C1 ZINC000223364191 376251348 /nfs/dbraw/zinc/25/13/48/376251348.db2.gz OVBJDWPSFOBIDU-UHFFFAOYSA-N 1 0 296.418 3.116 50 0 CGAARO Cc1cccc(Oc2ccccc2CNC(=O)C(C)(C)[NH3+])c1 ZINC000237720121 376758694 /nfs/dbraw/zinc/75/86/94/376758694.db2.gz WRBHMLNTJRNUAO-UHFFFAOYSA-N 1 0 298.386 3.141 50 0 CGAARO CC(C)N1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000239386683 376773595 /nfs/dbraw/zinc/77/35/95/376773595.db2.gz PZEZSOQEPIUOAT-HOTGVXAUSA-N 1 0 250.430 3.124 50 0 CGAARO Cc1nc([C@H](C)N(C)CCn2cc(Cl)cn2)c(C)s1 ZINC000244795652 376795148 /nfs/dbraw/zinc/79/51/48/376795148.db2.gz RKVZNOZCBRAZHG-VIFPVBQESA-N 1 0 298.843 3.303 50 0 CGAARO Cc1cccn2cc(C[N@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)nc12 ZINC000244734306 376795397 /nfs/dbraw/zinc/79/53/97/376795397.db2.gz NDBVUMBGEDSVKJ-MDBPOYHNSA-N 1 0 281.403 3.121 50 0 CGAARO C[N@H+](CCCSc1ccccc1)C[C@H]1CCOC1 ZINC000244723744 376795642 /nfs/dbraw/zinc/79/56/42/376795642.db2.gz MGPPOOZXZCYMTO-CQSZACIVSA-N 1 0 265.422 3.137 50 0 CGAARO C[N@H+](CCc1ccccn1)[C@H](c1ccccn1)C1CC1 ZINC000244817094 376798847 /nfs/dbraw/zinc/79/88/47/376798847.db2.gz SUGUGQNBDYHJRW-KRWDZBQOSA-N 1 0 267.376 3.102 50 0 CGAARO CCc1cc(C[N@H+](C)[C@H](C)Cc2ncccc2C)on1 ZINC000244691884 376792850 /nfs/dbraw/zinc/79/28/50/376792850.db2.gz JKUHMXVUVXKUOZ-CYBMUJFWSA-N 1 0 273.380 3.003 50 0 CGAARO CCC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)CC1CC1 ZINC000004988764 249001475 /nfs/dbraw/zinc/00/14/75/249001475.db2.gz XRLOAHJMLOVGGZ-UHFFFAOYSA-N 1 0 277.364 3.046 50 0 CGAARO CC(C)C[C@H](C)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000252482871 377628166 /nfs/dbraw/zinc/62/81/66/377628166.db2.gz DPMVNWGTYUBYMW-INIZCTEOSA-N 1 0 294.483 3.393 50 0 CGAARO C[C@@H]1C[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC000252516685 377636306 /nfs/dbraw/zinc/63/63/06/377636306.db2.gz VXPJDAQYDUQLPP-RBSFLKMASA-N 1 0 280.456 3.049 50 0 CGAARO Fc1cccc([C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)c1 ZINC000253428039 377693675 /nfs/dbraw/zinc/69/36/75/377693675.db2.gz GHONREJNYUWRHY-WCQYABFASA-N 1 0 277.368 3.103 50 0 CGAARO C/C(=C\C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C1CC1 ZINC000254292777 377704337 /nfs/dbraw/zinc/70/43/37/377704337.db2.gz HWQJCNPTLBXAGG-PGZACRNHSA-N 1 0 290.451 3.207 50 0 CGAARO CCC(CC)C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000095434135 184983496 /nfs/dbraw/zinc/98/34/96/184983496.db2.gz AEJFJMXWPAQKSA-KBPBESRZSA-N 1 0 257.443 3.067 50 0 CGAARO O[C@]1(c2ccccc2)Cc2cccc[n+]2[C@@H]1c1ccccc1 ZINC000001293934 285379063 /nfs/dbraw/zinc/37/90/63/285379063.db2.gz VFMVDWUMTCHNKD-UXHICEINSA-N 1 0 288.370 3.007 50 0 CGAARO C/C=C/C=C/C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096432974 392255146 /nfs/dbraw/zinc/25/51/46/392255146.db2.gz GLERGCXZRRBYPB-FJHWJDRKSA-N 1 0 298.430 3.099 50 0 CGAARO [NH3+]CC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000237817672 131059159 /nfs/dbraw/zinc/05/91/59/131059159.db2.gz SOCMNPHXCGSHNS-UHFFFAOYSA-N 1 0 294.398 3.165 50 0 CGAARO Clc1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000252516459 131136634 /nfs/dbraw/zinc/13/66/34/131136634.db2.gz SQCCIRGQRAUKTN-LLVKDONJSA-N 1 0 261.756 3.197 50 0 CGAARO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN(C)C)CCCO2 ZINC000348319706 393120392 /nfs/dbraw/zinc/12/03/92/393120392.db2.gz GPSDPTAHUKQGAD-MRXNPFEDSA-N 1 0 276.424 3.175 50 0 CGAARO CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)C ZINC000046064626 397627288 /nfs/dbraw/zinc/62/72/88/397627288.db2.gz JHEIEGRXPJWPDK-UHFFFAOYSA-N 1 0 288.435 3.401 50 0 CGAARO C[NH+]1CCC(CCNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000121077402 287192711 /nfs/dbraw/zinc/19/27/11/287192711.db2.gz CHCLDUCLMCPZCU-INIZCTEOSA-N 1 0 294.483 3.441 50 0 CGAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCc2ccccc2C1 ZINC000003683439 169907898 /nfs/dbraw/zinc/90/78/98/169907898.db2.gz CJSJGJXCOQSPIM-YOEHRIQHSA-N 1 0 275.436 3.463 50 0 CGAARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000004696218 170000261 /nfs/dbraw/zinc/00/02/61/170000261.db2.gz DZUVXGMOIFZLAQ-DHZHZOJOSA-N 1 0 294.826 3.201 50 0 CGAARO Cc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1 ZINC000004743758 170009758 /nfs/dbraw/zinc/00/97/58/170009758.db2.gz LDPBFTLSHWCVFC-UHFFFAOYSA-N 1 0 260.381 3.056 50 0 CGAARO COc1ccc(-c2[nH]c3ccccc3c2CC[NH3+])cc1OC ZINC000004759559 170012995 /nfs/dbraw/zinc/01/29/95/170012995.db2.gz DVZWARAGEKCJTH-UHFFFAOYSA-N 1 0 296.370 3.353 50 0 CGAARO Cc1cc(OCC[NH+]2CCCC2)cc(C)c1Cl ZINC000004989626 170050174 /nfs/dbraw/zinc/05/01/74/170050174.db2.gz ROMUNXMQYVHTBW-UHFFFAOYSA-N 1 0 253.773 3.431 50 0 CGAARO Cc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1C ZINC000004993275 170051311 /nfs/dbraw/zinc/05/13/11/170051311.db2.gz SORBLGGVFVHXQQ-UHFFFAOYSA-N 1 0 292.382 3.435 50 0 CGAARO CC[n+]1ccc(C)c2cc([S@](=O)C(F)(F)F)ccc21 ZINC000005068123 170063574 /nfs/dbraw/zinc/06/35/74/170063574.db2.gz SICAOEAQGSVEDG-LJQANCHMSA-N 1 0 288.314 3.083 50 0 CGAARO Cc1ccccc1C(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005242908 170078894 /nfs/dbraw/zinc/07/88/94/170078894.db2.gz BKGMTYVUVOSNDX-NVXWUHKLSA-N 1 0 287.403 3.416 50 0 biogenic,in-vitro CGAARO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000005662425 170125003 /nfs/dbraw/zinc/12/50/03/170125003.db2.gz YEFYZIWNQZRBRE-NSHDSACASA-N 1 0 266.772 3.153 50 0 CGAARO COc1cccc(C[N@@H+]2CCc3ccccc3C2)c1OC ZINC000006174837 170180143 /nfs/dbraw/zinc/18/01/43/170180143.db2.gz OKMVIBNYIHIKEF-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO c1ccc2c(c1)cccc2CSC1=[NH+]CCCN1 ZINC000007751450 170300462 /nfs/dbraw/zinc/30/04/62/170300462.db2.gz ICFVDOFISHSWKG-UHFFFAOYSA-N 1 0 256.374 3.422 50 0 CGAARO CCc1cccc(C)c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007788156 170303100 /nfs/dbraw/zinc/30/31/00/170303100.db2.gz OHRNAQCRXSLRFU-ZIAGYGMSSA-N 1 0 288.435 3.474 50 0 CGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(F)c1 ZINC000008191432 170323342 /nfs/dbraw/zinc/32/33/42/170323342.db2.gz JVHNIHNMWCWAFX-UONOGXRCSA-N 1 0 290.382 3.276 50 0 CGAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(F)c1 ZINC000008191438 170323390 /nfs/dbraw/zinc/32/33/90/170323390.db2.gz JVHNIHNMWCWAFX-ZIAGYGMSSA-N 1 0 290.382 3.276 50 0 CGAARO Cc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)cc1 ZINC000020130494 171019626 /nfs/dbraw/zinc/01/96/26/171019626.db2.gz FTVPHQUPQAEJAG-UHFFFAOYSA-N 1 0 288.435 3.122 50 0 CGAARO C[NH2+]Cc1ccc(Oc2ccnc(C(F)(F)F)n2)cc1 ZINC000020357676 171157604 /nfs/dbraw/zinc/15/76/04/171157604.db2.gz ZOMPCLKICIBFEW-UHFFFAOYSA-N 1 0 283.253 3.007 50 0 CGAARO CN(C)CC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000020418776 171184015 /nfs/dbraw/zinc/18/40/15/171184015.db2.gz DNAFOELKWSTDHI-UHFFFAOYSA-N 1 0 298.430 3.274 50 0 CGAARO Cc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000021523245 171316407 /nfs/dbraw/zinc/31/64/07/171316407.db2.gz JVINVTSFOFWELF-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO CN(CC[NH+](C)C)Cc1ccc(-c2ccccc2)cc1 ZINC000022455118 171388197 /nfs/dbraw/zinc/38/81/97/171388197.db2.gz VSNURBSKUSGANJ-UHFFFAOYSA-N 1 0 268.404 3.347 50 0 CGAARO [NH3+]CC1(c2cccc(Br)c2)CCCC1 ZINC000033487087 171806318 /nfs/dbraw/zinc/80/63/18/171806318.db2.gz GXLWFGBRTAIIKZ-UHFFFAOYSA-N 1 0 254.171 3.220 50 0 CGAARO Cc1nc2sccn2c1C[NH2+]Cc1ccc(F)cc1 ZINC000035255514 172085268 /nfs/dbraw/zinc/08/52/68/172085268.db2.gz CNYQESIJXLPUTJ-UHFFFAOYSA-N 1 0 275.352 3.133 50 0 CGAARO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)Oc1ccccn1 ZINC000035287318 172104892 /nfs/dbraw/zinc/10/48/92/172104892.db2.gz WULZYZSAPLKOKK-GFCCVEGCSA-N 1 0 276.767 3.292 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC000039975664 174180507 /nfs/dbraw/zinc/18/05/07/174180507.db2.gz DVRWSKFOXYXXDQ-KRWDZBQOSA-N 1 0 288.435 3.376 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000040615106 174353794 /nfs/dbraw/zinc/35/37/94/174353794.db2.gz GPEZGOGCIQZWGM-MRXNPFEDSA-N 1 0 276.424 3.232 50 0 CGAARO CC(C)c1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000045945494 175387980 /nfs/dbraw/zinc/38/79/80/175387980.db2.gz NCRRLGUPOPHKCF-UHFFFAOYSA-N 1 0 270.376 3.374 50 0 CGAARO C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccccc1Cl ZINC000046037733 175390276 /nfs/dbraw/zinc/39/02/76/175390276.db2.gz CIKMGZBNKJYTEZ-CQSZACIVSA-N 1 0 265.740 3.098 50 0 CGAARO Cc1ccccc1CNC1=[NH+]CCN[C@]12CCC[C@@H](C)C2 ZINC000046153154 175393568 /nfs/dbraw/zinc/39/35/68/175393568.db2.gz MUFPWKRBROLHAW-KDOFPFPSSA-N 1 0 285.435 3.035 50 0 biogenic CGAARO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(C(N)=O)cc2)s1 ZINC000052132555 175532727 /nfs/dbraw/zinc/53/27/27/175532727.db2.gz FHAZAUZVBLFBHY-LBPRGKRZSA-N 1 0 288.416 3.348 50 0 CGAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCCCC1 ZINC000057303684 175591075 /nfs/dbraw/zinc/59/10/75/175591075.db2.gz ARYGJMRFZLJRIC-ZDUSSCGKSA-N 1 0 285.391 3.250 50 0 CGAARO Cc1nc(NC2CCCCCC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067675921 175783360 /nfs/dbraw/zinc/78/33/60/175783360.db2.gz FNDWRSXAUBFFTQ-AWEZNQCLSA-N 1 0 288.439 3.387 50 0 CGAARO Cc1ccc2cc(C[N@@H+]3CCCCC34CC4)c(=O)[nH]c2c1 ZINC000067968046 175804742 /nfs/dbraw/zinc/80/47/42/175804742.db2.gz QKFVYEWUEAEKQI-UHFFFAOYSA-N 1 0 282.387 3.355 50 0 CGAARO CC[N@@H+]1CCCC[C@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071765329 176261934 /nfs/dbraw/zinc/26/19/34/176261934.db2.gz ZNYABKCLIVVSEB-HNNXBMFYSA-N 1 0 288.439 3.339 50 0 CGAARO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)n1 ZINC000071876096 176285609 /nfs/dbraw/zinc/28/56/09/176285609.db2.gz YGPOTJIDBWROFQ-RDJZCZTQSA-N 1 0 284.407 3.121 50 0 CGAARO Cc1ccc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)o1 ZINC000072131007 176321805 /nfs/dbraw/zinc/32/18/05/176321805.db2.gz WFXXGALGKBLMOV-INIZCTEOSA-N 1 0 286.375 3.164 50 0 CGAARO Nc1ncccc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000072156338 176328519 /nfs/dbraw/zinc/32/85/19/176328519.db2.gz KCTIYNWBFYQEBB-AWEZNQCLSA-N 1 0 271.364 3.374 50 0 CGAARO C[C@@H]1CCC[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000072232558 176344342 /nfs/dbraw/zinc/34/43/42/176344342.db2.gz HLBKQWNHXCVNLD-QGPMSJSTSA-N 1 0 288.435 3.158 50 0 CGAARO Cc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)co1 ZINC000072410649 176398488 /nfs/dbraw/zinc/39/84/88/176398488.db2.gz YTSDTVYUHWXMEX-ZDUSSCGKSA-N 1 0 296.374 3.239 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000078553005 177353301 /nfs/dbraw/zinc/35/33/01/177353301.db2.gz BJEUFPWCOVJBPU-YJBOKZPZSA-N 1 0 281.403 3.007 50 0 CGAARO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000084148691 416496233 /nfs/dbraw/zinc/49/62/33/416496233.db2.gz HOYOIRFBMXNQLZ-RDTXWAMCSA-N 1 0 285.387 3.388 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)C(C)(C)C(F)F ZINC000657871077 419396337 /nfs/dbraw/zinc/39/63/37/419396337.db2.gz IQFJPXQRVJNOCP-LLVKDONJSA-N 1 0 294.349 3.037 50 0 CGAARO C[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000004850858 260016458 /nfs/dbraw/zinc/01/64/58/260016458.db2.gz XUSQENQKWXJCOY-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO Cc1nc2sccn2c1CN(C)[C@H](C)c1ccccn1 ZINC000065427742 260242592 /nfs/dbraw/zinc/24/25/92/260242592.db2.gz KZEYIPDYQDCNQD-GFCCVEGCSA-N 1 0 286.404 3.292 50 0 CGAARO Cc1cc(N2CCC[C@H](CCc3ccccc3)C2)nc(N)[nH+]1 ZINC000072481238 274705343 /nfs/dbraw/zinc/70/53/43/274705343.db2.gz QPLOYUPTZGQIAA-MRXNPFEDSA-N 1 0 296.418 3.216 50 0 CGAARO CC(C)[NH+]1CCC(C(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000095368636 275625827 /nfs/dbraw/zinc/62/58/27/275625827.db2.gz SJIRIOHBZYBHHF-KRWDZBQOSA-N 1 0 286.419 3.080 50 0 CGAARO CN(C)C(=O)CCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123068151 276750106 /nfs/dbraw/zinc/75/01/06/276750106.db2.gz RKQYGKYJWPGABM-HZPDHXFCSA-N 1 0 288.435 3.027 50 0 CGAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000012381378 277133991 /nfs/dbraw/zinc/13/39/91/277133991.db2.gz CENOXFXHNKZZRG-CGZBRXJRSA-N 1 0 297.483 3.455 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000044138070 277394571 /nfs/dbraw/zinc/39/45/71/277394571.db2.gz UCHSAEZQABWFFN-MRXNPFEDSA-N 1 0 283.371 3.281 50 0 CGAARO COCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006743668 277535032 /nfs/dbraw/zinc/53/50/32/277535032.db2.gz UDNKBOHBQYBOOX-UHFFFAOYSA-N 1 0 285.387 3.310 50 0 CGAARO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccn(C)c(=O)c1 ZINC000051857908 279242316 /nfs/dbraw/zinc/24/23/16/279242316.db2.gz HPCDPJSWKHDUKA-OAHLLOKOSA-N 1 0 296.414 3.186 50 0 CGAARO CC[C@@H](C[N@@H+]1CCN(C(C)=O)CC1(C)C)c1ccccc1 ZINC000253419064 280140677 /nfs/dbraw/zinc/14/06/77/280140677.db2.gz HRYICMXIYYPAIY-INIZCTEOSA-N 1 0 288.435 3.123 50 0 CGAARO Cc1cn2c(n1)CC[C@H]([NH2+]C1CC(c3ccc(F)cc3)C1)C2 ZINC000097084823 281539073 /nfs/dbraw/zinc/53/90/73/281539073.db2.gz PHTQKUHGOCPZNW-WIHSUSGWSA-N 1 0 299.393 3.181 50 0 CGAARO Cc1cccnc1[C@@H](C)[NH2+]C1CCN(Cc2ccco2)CC1 ZINC000534661118 328344772 /nfs/dbraw/zinc/34/47/72/328344772.db2.gz AKALYDRNYDXDOI-OAHLLOKOSA-N 1 0 299.418 3.298 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811488 326822010 /nfs/dbraw/zinc/82/20/10/326822010.db2.gz NSQWGLQKLBHFHZ-KBPBESRZSA-N 1 0 290.407 3.002 50 0 CGAARO O=C(C[C@@H]1CCC[N@@H+]1Cc1cccnc1)c1ccc(F)cc1 ZINC000089794009 327173463 /nfs/dbraw/zinc/17/34/63/327173463.db2.gz UDUQDFDGOPCHMV-KRWDZBQOSA-N 1 0 298.361 3.458 50 0 CGAARO OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000127693846 329528170 /nfs/dbraw/zinc/52/81/70/329528170.db2.gz PPZRJXYNGINODQ-ZDEQEGDKSA-N 1 0 279.346 3.248 50 0 CGAARO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000195558643 336056104 /nfs/dbraw/zinc/05/61/04/336056104.db2.gz UNJRFYAESCTNGR-NJZAAPMLSA-N 1 0 293.794 3.080 50 0 CGAARO COc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1OCc1ccncc1 ZINC000105437436 522479766 /nfs/dbraw/zinc/47/97/66/522479766.db2.gz QOVKJMWVHRQEFC-CZUORRHYSA-N 1 0 298.386 3.167 50 0 CGAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cccs2)C1 ZINC000096502329 526421178 /nfs/dbraw/zinc/42/11/78/526421178.db2.gz ZGRXJEZEORCTMV-GFCCVEGCSA-N 1 0 296.436 3.095 50 0 CGAARO OC[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000252585954 527619219 /nfs/dbraw/zinc/61/92/19/527619219.db2.gz MLFOTZXHBOZLFZ-UMSPYCQHSA-N 1 0 271.763 3.120 50 0 CGAARO CC(C)n1cncc1C[N@H+](C)CCc1ccccc1 ZINC000220627396 528619076 /nfs/dbraw/zinc/61/90/76/528619076.db2.gz LJLQEHNZRKBJNF-UHFFFAOYSA-N 1 0 257.381 3.139 50 0 CGAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000096494376 529233581 /nfs/dbraw/zinc/23/35/81/529233581.db2.gz KVIPQMHHANAITE-KGLIPLIRSA-N 1 0 281.469 3.284 50 0 CGAARO CC[NH+]1CCC(N(C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000032909516 567215065 /nfs/dbraw/zinc/21/50/65/567215065.db2.gz TVWUOQNZZQTYAG-UHFFFAOYSA-N 1 0 295.814 3.288 50 0 CGAARO c1nc2c(-c3ccccc3)[nH][nH+]c(N3CCCCC3)c-2n1 ZINC000022109043 617934909 /nfs/dbraw/zinc/93/49/09/617934909.db2.gz FVBBVNARUNBBMS-UHFFFAOYSA-N 1 0 279.347 3.010 50 0 CGAARO CC(C)c1noc(CC[NH2+][C@H](C)c2cccc(F)c2)n1 ZINC000089578844 620240078 /nfs/dbraw/zinc/24/00/78/620240078.db2.gz GMYUUWBXUXGRRR-LLVKDONJSA-N 1 0 277.343 3.225 50 0 CGAARO C[C@H](COc1ccccc1)[NH2+]CC1(N(C)C)CCCCC1 ZINC000952966839 625867941 /nfs/dbraw/zinc/86/79/41/625867941.db2.gz WZMVZKIKDJRNMB-MRXNPFEDSA-N 1 0 290.451 3.308 50 0 CGAARO c1ccc(NCCC[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000863984703 629721184 /nfs/dbraw/zinc/72/11/84/629721184.db2.gz ZVPWZEHNUAKFKC-GOSISDBHSA-N 1 0 288.435 3.283 50 0 CGAARO O=C(Cn1cccc1)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952968161 636774656 /nfs/dbraw/zinc/77/46/56/636774656.db2.gz OLDKMZANRFLXIB-UHFFFAOYSA-N 1 0 297.402 3.113 50 0 CGAARO COCc1ccc(C[NH2+]C/C=C/c2ccco2)cc1 ZINC000083914669 640602600 /nfs/dbraw/zinc/60/26/00/640602600.db2.gz NXKHNRWFVDXMER-DUXPYHPUSA-N 1 0 257.333 3.229 50 0 CGAARO COc1cccc(N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000000277026 640921814 /nfs/dbraw/zinc/92/18/14/640921814.db2.gz HXEKKNXIQWDGBK-HOTGVXAUSA-N 1 0 288.435 3.396 50 0 CGAARO c1cc(-c2cccc(-c3ccc4c(c3)C[NH2+]CC4)c2)n[nH]1 ZINC000019299718 641035887 /nfs/dbraw/zinc/03/58/87/641035887.db2.gz ZHSWJCAYSGTIMZ-UHFFFAOYSA-N 1 0 275.355 3.389 50 0 CGAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000019836618 641039077 /nfs/dbraw/zinc/03/90/77/641039077.db2.gz IVRFGYWMQUIAST-MRXNPFEDSA-N 1 0 288.366 3.173 50 0 CGAARO CC(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)CC1 ZINC000581788010 799674231 /nfs/dbraw/zinc/67/42/31/799674231.db2.gz OFLSJKXDDLCLSU-MRXNPFEDSA-N 1 0 280.456 3.003 50 0 CGAARO CO[C@H]1CCC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000581803392 799674455 /nfs/dbraw/zinc/67/44/55/799674455.db2.gz KUAUOWJXGGWPHU-HNNXBMFYSA-N 1 0 281.346 3.356 50 0 CGAARO CO[C@@H]1CCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000581803607 799675086 /nfs/dbraw/zinc/67/50/86/799675086.db2.gz OHLSSWALGLSKCX-CQSZACIVSA-N 1 0 265.422 3.448 50 0 CGAARO CCn1nc(-c2ccc(F)cc2)nc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000823600463 800468086 /nfs/dbraw/zinc/46/80/86/800468086.db2.gz OLVSULNDUDADBY-OCCSQVGLSA-N 1 0 288.370 3.089 50 0 CGAARO CCCn1nc(CC(C)C)nc1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000952872119 800686407 /nfs/dbraw/zinc/68/64/07/800686407.db2.gz KEHMQEYWYHXEGM-CQSZACIVSA-N 1 0 278.444 3.084 50 0 CGAARO CCCC[N@H+](C)Cc1ccc(OC)c(C)c1OC ZINC000023282057 926834441 /nfs/dbraw/zinc/83/44/41/926834441.db2.gz MCBNWXKXWZJYDB-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO Cc1cccc2c1ncn(C1CC(C)(C)[NH2+]C(C)(C)C1)c2=O ZINC000032509030 927572096 /nfs/dbraw/zinc/57/20/96/927572096.db2.gz HYWGGGDNXASWKM-UHFFFAOYSA-N 1 0 299.418 3.187 50 0 CGAARO CC(C)[NH2+]CCOCCOc1ccc(Cl)cc1Cl ZINC000005481841 928126004 /nfs/dbraw/zinc/12/60/04/928126004.db2.gz PQYVQPDQHIBGGT-UHFFFAOYSA-N 1 0 292.206 3.387 50 0 CGAARO CCCC[C@H]1C=CC[N@@H+]1Cc1cccc2nonc21 ZINC001506417526 937989930 /nfs/dbraw/zinc/98/99/30/937989930.db2.gz MVESITUMMXGLSV-ZDUSSCGKSA-N 1 0 257.337 3.153 50 0 CGAARO COc1ncc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)cn1 ZINC001506409322 937989989 /nfs/dbraw/zinc/98/99/89/937989989.db2.gz WGKIPWMNCGYYSZ-CQSZACIVSA-N 1 0 277.412 3.133 50 0 CGAARO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000096478201 230379932 /nfs/dbraw/zinc/37/99/32/230379932.db2.gz VSDRMNIVGJBVCO-GXFFZTMASA-N 1 0 273.829 3.105 50 0 CGAARO O=C(NC1CC[NH+](C[C@@H]2CC=CCC2)CC1)c1ccccc1 ZINC000096489529 230382195 /nfs/dbraw/zinc/38/21/95/230382195.db2.gz YLENDGJJHBQQKV-MRXNPFEDSA-N 1 0 298.430 3.237 50 0 CGAARO C[C@@H]1[C@H](O)CC[C@@]2(C)C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000106350018 230393816 /nfs/dbraw/zinc/39/38/16/230393816.db2.gz WOBWPNVQJOHAFG-HPBDAGMYSA-N 1 0 273.420 3.306 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000095951426 185040273 /nfs/dbraw/zinc/04/02/73/185040273.db2.gz KWRCJIYFLXVEER-MRVWCRGKSA-N 1 0 277.412 3.497 50 0 CGAARO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCO)c(OC)c1)C(C)C ZINC000095967423 185046755 /nfs/dbraw/zinc/04/67/55/185046755.db2.gz YRYXWVUUBTVXQD-ZFWWWQNUSA-N 1 0 295.423 3.152 50 0 CGAARO Cc1csc([C@H]([NH2+]C2CCSCC2)C2CC2)n1 ZINC000095968557 185047763 /nfs/dbraw/zinc/04/77/63/185047763.db2.gz DERYNLOZQNQLMW-GFCCVEGCSA-N 1 0 268.451 3.388 50 0 CGAARO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Cl)s1 ZINC000095969278 185047983 /nfs/dbraw/zinc/04/79/83/185047983.db2.gz VCNBGGNEFAJEJT-WDEREUQCSA-N 1 0 289.828 3.248 50 0 CGAARO C[N@@H+]1CCC[C@H]1CCSc1n[nH]c(-c2cccs2)n1 ZINC000095975903 185051310 /nfs/dbraw/zinc/05/13/10/185051310.db2.gz KNMFAMDUSLRXNA-JTQLQIEISA-N 1 0 294.449 3.110 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)nc1 ZINC000095978225 185051715 /nfs/dbraw/zinc/05/17/15/185051715.db2.gz RBXCZEIAPAHFIQ-TZMCWYRMSA-N 1 0 276.405 3.053 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)nc1 ZINC000095978222 185052183 /nfs/dbraw/zinc/05/21/83/185052183.db2.gz RBXCZEIAPAHFIQ-JSGCOSHPSA-N 1 0 276.405 3.053 50 0 CGAARO CCOC(=O)N(C)C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000095982880 185053768 /nfs/dbraw/zinc/05/37/68/185053768.db2.gz KYFQEKNDHMYFEQ-UHFFFAOYSA-N 1 0 296.436 3.109 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000095982396 185054502 /nfs/dbraw/zinc/05/45/02/185054502.db2.gz LWVDVRREDIRAGJ-INIZCTEOSA-N 1 0 275.323 3.248 50 0 CGAARO c1csc(-c2nn(Cc3ccccc3)c3c2C[NH2+]CC3)c1 ZINC000082811372 178313745 /nfs/dbraw/zinc/31/37/45/178313745.db2.gz XGYHQJLLODXFPN-UHFFFAOYSA-N 1 0 295.411 3.306 50 0 CGAARO C[N@H+](C1CCN(CCc2ccccn2)CC1)[C@H]1C=CCCC1 ZINC000096455910 529822178 /nfs/dbraw/zinc/82/21/78/529822178.db2.gz FZQXFSXIWOBPNL-SFHVURJKSA-N 1 0 299.462 3.129 50 0 CGAARO C[C@@H]1CC[C@H]([NH2+]CCCCn2ccccc2=O)C[C@@H]1C ZINC000097146509 185549208 /nfs/dbraw/zinc/54/92/08/185549208.db2.gz UYJVYGDSPJPEHQ-PMPSAXMXSA-N 1 0 276.424 3.043 50 0 CGAARO CSCCC[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080336132 345671468 /nfs/dbraw/zinc/67/14/68/345671468.db2.gz BFMFZXBPOHYOFM-UHFFFAOYSA-N 1 0 279.434 3.048 50 0 CGAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000084636416 178907317 /nfs/dbraw/zinc/90/73/17/178907317.db2.gz DRSPDSGWUITQTF-LBPRGKRZSA-N 1 0 253.349 3.032 50 0 CGAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]CC(C)(C)CC)cn1 ZINC000089941999 345776675 /nfs/dbraw/zinc/77/66/75/345776675.db2.gz VPIUGYURSBUTHW-DZGCQCFKSA-N 1 0 279.428 3.006 50 0 CGAARO c1ccc([C@H]2C[N@H+](Cc3ccncc3)CCS2)cc1 ZINC000095401535 345900364 /nfs/dbraw/zinc/90/03/64/345900364.db2.gz JUPQXOSABZRDLO-MRXNPFEDSA-N 1 0 270.401 3.372 50 0 CGAARO CC[C@H](c1ccncc1)N(C)Cc1nc(-c2ccoc2)no1 ZINC000130150040 346055514 /nfs/dbraw/zinc/05/55/14/346055514.db2.gz QGFZLBOAHUEARV-CQSZACIVSA-N 1 0 298.346 3.308 50 0 CGAARO CCCOc1ccc(-c2c(C)n(O)c(C)c(C)[n+]2=O)cc1 ZINC000136087583 346089209 /nfs/dbraw/zinc/08/92/09/346089209.db2.gz LLHNHBSVHFBVQM-UHFFFAOYSA-N 1 0 289.355 3.021 50 0 CGAARO CCc1c(-c2ccccc2)[n+](=O)c2c(n1O)CCCCC2 ZINC000136553917 346091807 /nfs/dbraw/zinc/09/18/07/346091807.db2.gz FVBMGNLUEXGBFL-UHFFFAOYSA-N 1 0 285.367 3.138 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CCCC1 ZINC000170619322 346195687 /nfs/dbraw/zinc/19/56/87/346195687.db2.gz NETADSFKFVRDDE-UHFFFAOYSA-N 1 0 284.762 3.292 50 0 CGAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000189343557 346263252 /nfs/dbraw/zinc/26/32/52/346263252.db2.gz QYLGLRFXCKSFRH-KQSJRHEJSA-N 1 0 263.303 3.017 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000215553336 346288931 /nfs/dbraw/zinc/28/89/31/346288931.db2.gz PSKGIZNSTKUMHS-MRVWCRGKSA-N 1 0 277.412 3.497 50 0 CGAARO O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1ccccc1F ZINC000247359426 346370229 /nfs/dbraw/zinc/37/02/29/346370229.db2.gz DPLMPMVENAIFMV-KGLIPLIRSA-N 1 0 290.382 3.276 50 0 CGAARO C[N@H+](CCc1cccs1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000248138517 346374266 /nfs/dbraw/zinc/37/42/66/346374266.db2.gz SNUSJZDXGBPEMR-MGPQQGTHSA-N 1 0 265.422 3.036 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000248163745 346374401 /nfs/dbraw/zinc/37/44/01/346374401.db2.gz SOMIQBUNLJYMMR-LPWJVIDDSA-N 1 0 271.470 3.310 50 0 CGAARO CC(C)C[NH2+]Cc1c(F)cccc1Br ZINC000085476856 179079331 /nfs/dbraw/zinc/07/93/31/179079331.db2.gz RZDDUPAGARNBIK-UHFFFAOYSA-N 1 0 260.150 3.334 50 0 CGAARO Cc1cc(-c2cn(O)c3c([n+]2=O)CCCC3)ccc1Cl ZINC000334157776 346493471 /nfs/dbraw/zinc/49/34/71/346493471.db2.gz KBNSYVNHJIQGBY-UHFFFAOYSA-N 1 0 291.758 3.148 50 0 CGAARO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000104620413 186011280 /nfs/dbraw/zinc/01/12/80/186011280.db2.gz PWMGLQXNLNSDGX-QWHCGFSZSA-N 1 0 294.826 3.077 50 0 CGAARO c1ccc(C[N@H+]2CCCC[C@@H]2CCNc2ccncn2)cc1 ZINC000091587244 180200879 /nfs/dbraw/zinc/20/08/79/180200879.db2.gz SIPFNWJLQRVBGH-QGZVFWFLSA-N 1 0 296.418 3.333 50 0 CGAARO C[C@@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O ZINC000091519439 180177964 /nfs/dbraw/zinc/17/79/64/180177964.db2.gz VQTUDLRLGMAKSJ-DYVFJYSZSA-N 1 0 292.423 3.315 50 0 CGAARO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000108171905 186208521 /nfs/dbraw/zinc/20/85/21/186208521.db2.gz CRWLTUUPDJMNGS-OWCLPIDISA-N 1 0 288.435 3.027 50 0 CGAARO O[C@]1(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)CCSC1 ZINC000154245788 188131337 /nfs/dbraw/zinc/13/13/37/188131337.db2.gz PFWXSWDXWFGUIW-ZALBZXLWSA-N 1 0 297.851 3.044 50 0 CGAARO CSc1cccc(N(C)C(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000156190454 188248109 /nfs/dbraw/zinc/24/81/09/188248109.db2.gz DQZBDGBQDDMZNE-HNNXBMFYSA-N 1 0 286.400 3.071 50 0 CGAARO [NH3+]C[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1 ZINC000299792652 283524671 /nfs/dbraw/zinc/52/46/71/283524671.db2.gz GPCMUENNGPZOLI-OAHLLOKOSA-N 1 0 294.329 3.303 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000183724549 189366896 /nfs/dbraw/zinc/36/68/96/189366896.db2.gz AOZMQPWXMVOZKT-CYBMUJFWSA-N 1 0 268.360 3.210 50 0 CGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000000247186 368324834 /nfs/dbraw/zinc/32/48/34/368324834.db2.gz LDGORKJXEGHFBK-UHFFFAOYSA-N 1 0 294.398 3.081 50 0 CGAARO FC(F)(F)c1cccc(CSC2=[NH+]CCCN2)c1 ZINC000000137983 368299716 /nfs/dbraw/zinc/29/97/16/368299716.db2.gz NPQVHYYHTDMKOW-UHFFFAOYSA-N 1 0 274.311 3.288 50 0 CGAARO CC[NH+](CC)C[C@@H](O)COc1cc(C)ccc1C(C)C ZINC000000448203 368368708 /nfs/dbraw/zinc/36/87/08/368368708.db2.gz NUQFHLKIXBFAEF-OAHLLOKOSA-N 1 0 279.424 3.200 50 0 CGAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1 ZINC000000254257 368325688 /nfs/dbraw/zinc/32/56/88/368325688.db2.gz BGAUEDYZGYQIDJ-UHFFFAOYSA-N 1 0 298.361 3.213 50 0 CGAARO CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@@H]1[C@@H]2C ZINC000000519514 368383111 /nfs/dbraw/zinc/38/31/11/368383111.db2.gz JHAJBRWIERGXKC-SGXQQNEYSA-N 1 0 258.385 3.047 50 0 biogenic CGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000000783098 368394986 /nfs/dbraw/zinc/39/49/86/368394986.db2.gz PPTLXQUWPZTBSO-UONOGXRCSA-N 1 0 292.448 3.085 50 0 CGAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)CC3)c2cc1O ZINC000002113307 368446939 /nfs/dbraw/zinc/44/69/39/368446939.db2.gz LYMSKVZKKDMFLO-UHFFFAOYSA-N 1 0 287.359 3.039 50 0 biogenic CGAARO CCN(C(=O)C[NH+](CC)CC)[C@H](C)CCCC(C)C ZINC000002168036 368448717 /nfs/dbraw/zinc/44/87/17/368448717.db2.gz WSSVAIYTPRFILW-OAHLLOKOSA-N 1 0 270.461 3.392 50 0 CGAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000001839355 368438425 /nfs/dbraw/zinc/43/84/25/368438425.db2.gz QQMXLTVFXLYHPN-UHFFFAOYSA-N 1 0 294.354 3.229 50 0 CGAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1C ZINC000002650478 368470401 /nfs/dbraw/zinc/47/04/01/368470401.db2.gz LZHKJGDGNDVNAT-KRWDZBQOSA-N 1 0 291.435 3.083 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(F)c(F)c1 ZINC000002760465 368476591 /nfs/dbraw/zinc/47/65/91/368476591.db2.gz JTRJXEXEOKPQBR-UHFFFAOYSA-N 1 0 270.323 3.025 50 0 CGAARO COc1ccc(C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000003306966 368502014 /nfs/dbraw/zinc/50/20/14/368502014.db2.gz HZHWLWJOQXEMGB-UHFFFAOYSA-N 1 0 261.365 3.142 50 0 CGAARO CC[C@H](C)[NH2+]CCOCCOc1cc(C)ccc1Cl ZINC000002825078 368479574 /nfs/dbraw/zinc/47/95/74/368479574.db2.gz BRJMRSLWRMYLQG-ZDUSSCGKSA-N 1 0 285.815 3.432 50 0 CGAARO COc1cccc(OC)c1OCCCC[NH+]1CCCCC1 ZINC000002932102 368485836 /nfs/dbraw/zinc/48/58/36/368485836.db2.gz OVPYVVBUWIIPLO-UHFFFAOYSA-N 1 0 293.407 3.349 50 0 CGAARO O[C@@H](C[NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897337 368522887 /nfs/dbraw/zinc/52/28/87/368522887.db2.gz HZJORPGYZRVQJZ-NNGLDNROSA-N 1 0 285.431 3.354 50 0 CGAARO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000003893509 368523879 /nfs/dbraw/zinc/52/38/79/368523879.db2.gz HADCLITXFGHGEQ-RDJZCZTQSA-N 1 0 291.435 3.424 50 0 CGAARO Clc1cccc(OCC[NH2+]Cc2ccco2)c1 ZINC000003462208 368508852 /nfs/dbraw/zinc/50/88/52/368508852.db2.gz OQQZIGQBTHPOPS-UHFFFAOYSA-N 1 0 251.713 3.102 50 0 CGAARO CC(C)(C)C[NH2+][C@@H](CO)C12CC3CC(CC(C3)C1)C2 ZINC000004645132 368554323 /nfs/dbraw/zinc/55/43/23/368554323.db2.gz ZKSWSDRTIKENEQ-RDVIWEACSA-N 1 0 265.441 3.199 50 0 CGAARO CCCCN(C)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004689790 368556491 /nfs/dbraw/zinc/55/64/91/368556491.db2.gz WRZMMCJNMCSLIW-MRXNPFEDSA-N 1 0 292.467 3.313 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000004981241 368559910 /nfs/dbraw/zinc/55/99/10/368559910.db2.gz MEPQVZPPPLLVQK-HZPDHXFCSA-N 1 0 288.435 3.396 50 0 CGAARO COc1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000005586934 368562669 /nfs/dbraw/zinc/56/26/69/368562669.db2.gz AMBPIKSQPHQYTQ-UHFFFAOYSA-N 1 0 296.414 3.060 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000004173886 368535478 /nfs/dbraw/zinc/53/54/78/368535478.db2.gz UBWDAHBWWAEZLS-WMZOPIPTSA-N 1 0 299.414 3.394 50 0 CGAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCC1 ZINC000004279608 368540507 /nfs/dbraw/zinc/54/05/07/368540507.db2.gz IVSJAROWKRYGQL-SFHVURJKSA-N 1 0 297.398 3.189 50 0 CGAARO CC(C)[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000010436293 368582343 /nfs/dbraw/zinc/58/23/43/368582343.db2.gz HZNGDVJFACRRDI-GFCCVEGCSA-N 1 0 259.349 3.498 50 0 CGAARO [NH3+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012505229 368614239 /nfs/dbraw/zinc/61/42/39/368614239.db2.gz UPIXZRBUSDMNDT-UHFFFAOYSA-N 1 0 263.344 3.057 50 0 CGAARO CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+](C)C ZINC000012915792 368634617 /nfs/dbraw/zinc/63/46/17/368634617.db2.gz PPLKUVFZUHJTHU-AWEZNQCLSA-N 1 0 297.830 3.438 50 0 CGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCCCC1 ZINC000013679447 368661027 /nfs/dbraw/zinc/66/10/27/368661027.db2.gz MXIRMJBJPCFGHU-UHFFFAOYSA-N 1 0 286.419 3.299 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2csc(C(C)C)c2)CC1 ZINC000016604741 368716854 /nfs/dbraw/zinc/71/68/54/368716854.db2.gz KWWSMFALRYHUKZ-UHFFFAOYSA-N 1 0 294.464 3.476 50 0 CGAARO COc1cccc(OC/C=C/C[NH+]2CCCCC2)c1 ZINC000016622773 368718250 /nfs/dbraw/zinc/71/82/50/368718250.db2.gz LXBMDIBNRWXDQE-AATRIKPKSA-N 1 0 261.365 3.116 50 0 CGAARO C[C@H](CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000123582919 370912867 /nfs/dbraw/zinc/91/28/67/370912867.db2.gz IPECYTQNNIXORO-KHTYJDQRSA-N 1 0 293.476 3.315 50 0 CGAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)cc(OC)c1 ZINC000019642800 368760362 /nfs/dbraw/zinc/76/03/62/368760362.db2.gz GQSUWCHXDFXDSB-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1ccccc1OC ZINC000019720821 368761577 /nfs/dbraw/zinc/76/15/77/368761577.db2.gz FSYRKJVGKRXEHZ-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO COc1ccccc1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000019359543 368749418 /nfs/dbraw/zinc/74/94/18/368749418.db2.gz LTBNNGBMEXFNHU-UHFFFAOYSA-N 1 0 298.430 3.259 50 0 CGAARO [NH3+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000019420671 368751119 /nfs/dbraw/zinc/75/11/19/368751119.db2.gz XFQGIGAQJPNZSL-MRVPVSSYSA-N 1 0 268.076 3.401 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2F)cc1OC ZINC000019560646 368756772 /nfs/dbraw/zinc/75/67/72/368756772.db2.gz ZZYHQLBBNRWMCR-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COc1ccccc1C[NH2+]CCc1ccccc1F ZINC000019570862 368757252 /nfs/dbraw/zinc/75/72/52/368757252.db2.gz PZMSLKVAOYKPCW-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Cc1cc(OCCC[NH+]2CCN(C)CC2)ccc1C(C)C ZINC000020118652 368804303 /nfs/dbraw/zinc/80/43/03/368804303.db2.gz HWQDSJGKPPARJF-UHFFFAOYSA-N 1 0 290.451 3.135 50 0 CGAARO CCCc1nc(C)cc(N2CCc3ccccc3C2)n1 ZINC000020890693 368808747 /nfs/dbraw/zinc/80/87/47/368808747.db2.gz SYPGDVNCSJIRPW-UHFFFAOYSA-N 1 0 267.376 3.300 50 0 CGAARO OC[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000023114836 368815875 /nfs/dbraw/zinc/81/58/75/368815875.db2.gz UXGABAKZIQCAFX-CQSZACIVSA-N 1 0 255.361 3.044 50 0 CGAARO OCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000023114897 368816133 /nfs/dbraw/zinc/81/61/33/368816133.db2.gz AIPJPDQTBYBGPS-AWEZNQCLSA-N 1 0 298.224 3.186 50 0 CGAARO Cc1ccsc1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000023281031 368819616 /nfs/dbraw/zinc/81/96/16/368819616.db2.gz PBDMGOBURXCKLK-AWEZNQCLSA-N 1 0 261.390 3.222 50 0 CGAARO O[C@@]1(c2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000019923787 368786992 /nfs/dbraw/zinc/78/69/92/368786992.db2.gz GETWLPVVXVVUEZ-ZWKOTPCHSA-N 1 0 267.372 3.217 50 0 CGAARO Brc1cccc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000028522188 368886261 /nfs/dbraw/zinc/88/62/61/368886261.db2.gz XRSZJQWRCOELFP-CQSZACIVSA-N 1 0 298.224 3.498 50 0 CGAARO C[C@H](c1ccccc1)N(CC1CC1)C[C@@H]1CCC[NH2+]1 ZINC000032590311 368937097 /nfs/dbraw/zinc/93/70/97/368937097.db2.gz BFHYKONEHGHPNH-PBHICJAKSA-N 1 0 258.409 3.212 50 0 CGAARO CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccncc3)no2)C1 ZINC000032928740 368954145 /nfs/dbraw/zinc/95/41/45/368954145.db2.gz XCCXJSVQADXRJN-STQMWFEESA-N 1 0 286.379 3.315 50 0 CGAARO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccccc3F)C2)cc1 ZINC000035834874 369005729 /nfs/dbraw/zinc/00/57/29/369005729.db2.gz DZNVYUUHYWVVLD-INIZCTEOSA-N 1 0 298.361 3.417 50 0 CGAARO COc1cccc([C@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000037771567 369108348 /nfs/dbraw/zinc/10/83/48/369108348.db2.gz RZMOUSXEKPKMGT-JTQLQIEISA-N 1 0 260.337 3.151 50 0 CGAARO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(Br)cc1 ZINC000041063719 369170119 /nfs/dbraw/zinc/17/01/19/369170119.db2.gz NBYKRQFTMDHKHR-JTQLQIEISA-N 1 0 294.196 3.033 50 0 CGAARO CCc1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774816 369232338 /nfs/dbraw/zinc/23/23/38/369232338.db2.gz GIDIKXCCRKBLTF-UHFFFAOYSA-N 1 0 298.224 3.390 50 0 CGAARO CCc1cc(Cl)ccc1OCC1CC[NH2+]CC1 ZINC000042775235 369231827 /nfs/dbraw/zinc/23/18/27/369231827.db2.gz LFAVAOYXCZUQND-UHFFFAOYSA-N 1 0 253.773 3.281 50 0 CGAARO CCc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774803 369231936 /nfs/dbraw/zinc/23/19/36/369231936.db2.gz OFNCUOGUACBYJI-UHFFFAOYSA-N 1 0 284.197 3.142 50 0 CGAARO OCC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000052820125 369472567 /nfs/dbraw/zinc/47/25/67/369472567.db2.gz OBLVPFFXGUBJCT-UHFFFAOYSA-N 1 0 290.794 3.093 50 0 CGAARO Oc1ccccc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000052873228 369473083 /nfs/dbraw/zinc/47/30/83/369473083.db2.gz GDZNIYAKHJUKGI-UHFFFAOYSA-N 1 0 296.414 3.147 50 0 CGAARO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000057435565 369538001 /nfs/dbraw/zinc/53/80/01/369538001.db2.gz OLPRWBZYBDFSKS-LLVKDONJSA-N 1 0 290.313 3.254 50 0 CGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc(C)n2)c1 ZINC000055074320 369510567 /nfs/dbraw/zinc/51/05/67/369510567.db2.gz XJXGDCUEMJGGAE-OAHLLOKOSA-N 1 0 269.392 3.156 50 0 CGAARO COC[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000056908390 369529927 /nfs/dbraw/zinc/52/99/27/369529927.db2.gz DMGLDVLPOKVMQL-NSHDSACASA-N 1 0 271.763 3.338 50 0 CGAARO CC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000058337745 369565200 /nfs/dbraw/zinc/56/52/00/369565200.db2.gz GEGBLYVCHLWUGD-UHFFFAOYSA-N 1 0 285.391 3.401 50 0 CGAARO COc1ccc2c(c1)C[N@@H+](CCOc1ccccc1)CC2 ZINC000060042408 369584996 /nfs/dbraw/zinc/58/49/96/369584996.db2.gz HRBSJTZPWJFDRN-UHFFFAOYSA-N 1 0 283.371 3.132 50 0 CGAARO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000065287945 369668357 /nfs/dbraw/zinc/66/83/57/369668357.db2.gz IRHCYPNFTORGNK-AWEZNQCLSA-N 1 0 290.436 3.300 50 0 CGAARO COc1ccc(-c2cccc([C@H](C)[NH+](C)C)c2)cc1CO ZINC000065418569 369674433 /nfs/dbraw/zinc/67/44/33/369674433.db2.gz JZCSVOUYPWKKSX-ZDUSSCGKSA-N 1 0 285.387 3.477 50 0 CGAARO c1ccc2c(c1)CCCN2CCC[NH2+]C1CCSCC1 ZINC000065422999 369676007 /nfs/dbraw/zinc/67/60/07/369676007.db2.gz ZTCPOBLUATWUCR-UHFFFAOYSA-N 1 0 290.476 3.315 50 0 CGAARO COc1cc(C)c([C@H]2[NH2+]CCc3nc[nH]c32)cc1C(C)C ZINC000065488756 369678620 /nfs/dbraw/zinc/67/86/20/369678620.db2.gz PVLKGACZABEWDE-MRXNPFEDSA-N 1 0 285.391 3.085 50 0 CGAARO CC(C)CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000065622183 369685882 /nfs/dbraw/zinc/68/58/82/369685882.db2.gz DFJBNAAAJVCGPH-ZDUSSCGKSA-N 1 0 283.437 3.129 50 0 CGAARO C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000069367096 369757856 /nfs/dbraw/zinc/75/78/56/369757856.db2.gz HWVCAOZOASXLNT-LLVKDONJSA-N 1 0 277.755 3.199 50 0 CGAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000069630117 369765889 /nfs/dbraw/zinc/76/58/89/369765889.db2.gz NACBVWGUOURYQI-WBMJQRKESA-N 1 0 288.366 3.109 50 0 CGAARO c1cncc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000069655107 369766774 /nfs/dbraw/zinc/76/67/74/369766774.db2.gz BJMPQEPNFDCNGK-OAHLLOKOSA-N 1 0 282.343 3.147 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCN(C)C(=O)/C=C/c1ccccc1 ZINC000067690755 369725497 /nfs/dbraw/zinc/72/54/97/369725497.db2.gz DUDKSCHZYSBUMW-PCUGXKRQSA-N 1 0 286.419 3.033 50 0 CGAARO Cc1cc(N2CCC[C@@]3(CC[N@@H+](C)C3)C2)nc2ccccc12 ZINC000067804166 369730118 /nfs/dbraw/zinc/73/01/18/369730118.db2.gz FBZZMCFAAOHMLE-IBGZPJMESA-N 1 0 295.430 3.465 50 0 CGAARO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000067803618 369730957 /nfs/dbraw/zinc/73/09/57/369730957.db2.gz XLWHDRAJRGOFRS-ZDUSSCGKSA-N 1 0 284.359 3.061 50 0 CGAARO C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C1Cc2ccccc2C1 ZINC000067819960 369732345 /nfs/dbraw/zinc/73/23/45/369732345.db2.gz TVKLCACFASALJR-UHFFFAOYSA-N 1 0 295.361 3.301 50 0 CGAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790092 369811675 /nfs/dbraw/zinc/81/16/75/369811675.db2.gz GAYNMYZCQZOPDY-LBPRGKRZSA-N 1 0 271.282 3.030 50 0 CGAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089725144 370046111 /nfs/dbraw/zinc/04/61/11/370046111.db2.gz UJLRHHAAAZYBIS-AWEZNQCLSA-N 1 0 298.434 3.243 50 0 CGAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCc1ccccc1 ZINC000084636842 370013878 /nfs/dbraw/zinc/01/38/78/370013878.db2.gz YANMWHXVKWKGTR-HNNXBMFYSA-N 1 0 282.387 3.236 50 0 CGAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](C)c2ccco2)n1 ZINC000089594071 370043443 /nfs/dbraw/zinc/04/34/43/370043443.db2.gz VDFWCLFEXXXHRP-RISCZKNCSA-N 1 0 261.369 3.080 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000080339809 369987286 /nfs/dbraw/zinc/98/72/86/369987286.db2.gz RVKQMYCHMFHOLF-MGPLVRAMSA-N 1 0 273.355 3.270 50 0 CGAARO CCC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[NH+](C)C ZINC000089949419 370052464 /nfs/dbraw/zinc/05/24/64/370052464.db2.gz WBOXFCIJYUHKNF-ZDUSSCGKSA-N 1 0 268.788 3.317 50 0 CGAARO C[N@H+](CCCO)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000095394305 370182632 /nfs/dbraw/zinc/18/26/32/370182632.db2.gz MCJKIHVQQJHIOI-MRXNPFEDSA-N 1 0 290.794 3.139 50 0 CGAARO CCN1CCC[C@H]1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000095404881 370184001 /nfs/dbraw/zinc/18/40/01/370184001.db2.gz TUXWFUHJQUWAQX-INIZCTEOSA-N 1 0 298.430 3.422 50 0 CGAARO Cc1cc(Br)ccc1C[NH2+][C@@H](C)CCCO ZINC000095413088 370185222 /nfs/dbraw/zinc/18/52/22/370185222.db2.gz QUYBOWWXIPSPGP-NSHDSACASA-N 1 0 286.213 3.008 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccnc2)o1 ZINC000097058622 370220511 /nfs/dbraw/zinc/22/05/11/370220511.db2.gz MYJFOHKLQHBWTO-UHFFFAOYSA-N 1 0 282.347 3.005 50 0 CGAARO Cc1cnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)o1 ZINC000097110065 370225883 /nfs/dbraw/zinc/22/58/83/370225883.db2.gz AQTCFXOKJYMGNV-OAHLLOKOSA-N 1 0 256.349 3.094 50 0 CGAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203064 370232248 /nfs/dbraw/zinc/23/22/48/370232248.db2.gz GLTWMWNTKQQJOS-GFCCVEGCSA-N 1 0 273.355 3.489 50 0 CGAARO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H](O)c1ccco1 ZINC000097228260 370235594 /nfs/dbraw/zinc/23/55/94/370235594.db2.gz IQNDQIVOULCSMT-WFASDCNBSA-N 1 0 277.339 3.063 50 0 CGAARO OC1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000097678113 370249396 /nfs/dbraw/zinc/24/93/96/370249396.db2.gz FLZVGPBNYBORMJ-UHFFFAOYSA-N 1 0 255.308 3.017 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)cc1C ZINC000095419723 370186590 /nfs/dbraw/zinc/18/65/90/370186590.db2.gz YBRGSHZTSUGEIC-ZFWWWQNUSA-N 1 0 259.349 3.281 50 0 CGAARO Cc1ccc2c(CC[NH2+][C@@H](C)C3CCOCC3)c[nH]c2c1 ZINC000095421463 370187875 /nfs/dbraw/zinc/18/78/75/370187875.db2.gz IGAWLLBVYZVPGX-AWEZNQCLSA-N 1 0 286.419 3.424 50 0 CGAARO CCOC[C@@H](C)[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422677 370190352 /nfs/dbraw/zinc/19/03/52/370190352.db2.gz KGBUUJDQPSLBLY-NOZJJQNGSA-N 1 0 292.206 3.041 50 0 CGAARO Cc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1C ZINC000095459510 370198700 /nfs/dbraw/zinc/19/87/00/370198700.db2.gz QQJLTDRBKUNTCB-MRXNPFEDSA-N 1 0 275.392 3.079 50 0 CGAARO Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988201 370202173 /nfs/dbraw/zinc/20/21/73/370202173.db2.gz XBOHKELHVGUCTL-LSDHHAIUSA-N 1 0 290.407 3.116 50 0 CGAARO C[NH2+][C@H]1CCCN(C(=O)c2sc3ccccc3c2C)C1 ZINC000133470291 371252779 /nfs/dbraw/zinc/25/27/79/371252779.db2.gz YULDGYOCVIPNQT-LBPRGKRZSA-N 1 0 288.416 3.034 50 0 CGAARO C[N@H+](Cc1ccc(Br)cn1)C1CCCC1 ZINC000134536607 371347371 /nfs/dbraw/zinc/34/73/71/371347371.db2.gz OXSJMVZLOAKTCH-UHFFFAOYSA-N 1 0 269.186 3.219 50 0 CGAARO Cc1noc(C)c1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000138386699 371505480 /nfs/dbraw/zinc/50/54/80/371505480.db2.gz LLINOOSDTOEBGA-PXAZEXFGSA-N 1 0 286.375 3.253 50 0 CGAARO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)cc(=O)[nH]1 ZINC000426414841 372158223 /nfs/dbraw/zinc/15/82/23/372158223.db2.gz XQHPOHVAZUEUMG-INIZCTEOSA-N 1 0 297.402 3.116 50 0 CGAARO C[C@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)[NH+](C)C ZINC000426445444 372160235 /nfs/dbraw/zinc/16/02/35/372160235.db2.gz FFBBODNNPKCIIZ-SECBINFHSA-N 1 0 298.312 3.124 50 0 CGAARO C[C@@H](c1ccc(-c2ccnn2C)cc1)[NH+]1CCCC1 ZINC000426737519 372170963 /nfs/dbraw/zinc/17/09/63/372170963.db2.gz OAWHVZCLPQBMIH-ZDUSSCGKSA-N 1 0 255.365 3.244 50 0 CGAARO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1cccnc1 ZINC000170073240 372634088 /nfs/dbraw/zinc/63/40/88/372634088.db2.gz OPIMIIJENFRVLK-INIZCTEOSA-N 1 0 286.350 3.267 50 0 CGAARO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(F)cc1 ZINC000170084558 372634228 /nfs/dbraw/zinc/63/42/28/372634228.db2.gz DEZOCTXNNSUNDM-RBSFLKMASA-N 1 0 251.345 3.170 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc12 ZINC000170074676 372634318 /nfs/dbraw/zinc/63/43/18/372634318.db2.gz IJQUOXCPMARBHK-QLFBSQMISA-N 1 0 297.398 3.436 50 0 CGAARO C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)c1cccs1 ZINC000170048083 372634544 /nfs/dbraw/zinc/63/45/44/372634544.db2.gz CYZMMILUDAKLOC-NSHDSACASA-N 1 0 274.389 3.210 50 0 CGAARO CC[C@@]1(CO)CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000170606953 372641419 /nfs/dbraw/zinc/64/14/19/372641419.db2.gz GGJZQOJHUMESSN-HNNXBMFYSA-N 1 0 282.453 3.079 50 0 CGAARO COc1ccc(CCC[N@H+](C)[C@@H](C)c2cnccn2)cc1 ZINC000170596948 372641975 /nfs/dbraw/zinc/64/19/75/372641975.db2.gz PHOIPROARKMBRT-AWEZNQCLSA-N 1 0 285.391 3.111 50 0 CGAARO CC[C@]1(CO)CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000170606952 372642128 /nfs/dbraw/zinc/64/21/28/372642128.db2.gz GGJZQOJHUMESSN-OAHLLOKOSA-N 1 0 282.453 3.079 50 0 CGAARO Cc1ncsc1C[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000171938019 372859518 /nfs/dbraw/zinc/85/95/18/372859518.db2.gz SSRPEIKBMSIBLZ-UHFFFAOYSA-N 1 0 274.389 3.018 50 0 CGAARO Cc1ncsc1CNc1ccc2c(c1)[nH+]c(C)n2C ZINC000089565568 541953609 /nfs/dbraw/zinc/95/36/09/541953609.db2.gz JVVDLJQZSJXPOU-UHFFFAOYSA-N 1 0 272.377 3.259 50 0 CGAARO C[C@H]([NH2+]CC1(c2c(F)cccc2F)CC1)c1cnn(C)c1 ZINC000090965199 541964701 /nfs/dbraw/zinc/96/47/01/541964701.db2.gz AKWBXNRGFDSDPF-NSHDSACASA-N 1 0 291.345 3.081 50 0 CGAARO FC(F)(F)c1ccc(C2(C[NH2+]Cc3ncc[nH]3)CC2)cc1 ZINC000186507835 374865163 /nfs/dbraw/zinc/86/51/63/374865163.db2.gz UDSSDLLBVNYLJM-UHFFFAOYSA-N 1 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KZONJPJEUKBWLW-GFCCVEGCSA-N 1 0 273.380 3.058 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ccc2c(ccn2C)c1 ZINC000223041597 376244689 /nfs/dbraw/zinc/24/46/89/376244689.db2.gz QZFXEHOHWLYLLM-MRXNPFEDSA-N 1 0 299.462 3.485 50 0 CGAARO CC[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[C@H](O)C1 ZINC000223838470 376264821 /nfs/dbraw/zinc/26/48/21/376264821.db2.gz FXCCEKPJTXIRRN-MBNYWOFBSA-N 1 0 256.349 3.196 50 0 CGAARO Cc1ccc(N(C)C(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000225445346 376309647 /nfs/dbraw/zinc/30/96/47/376309647.db2.gz BMGVKKVDMCNKIE-INIZCTEOSA-N 1 0 268.360 3.048 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH+]2CCC(O)CC2)o1 ZINC000225532991 376314976 /nfs/dbraw/zinc/31/49/76/376314976.db2.gz BVNANDVULOEMJL-UHFFFAOYSA-N 1 0 289.350 3.351 50 0 CGAARO Cc1noc(C)c1C[NH2+]CC1(c2ccccc2C)CC1 ZINC000225534775 376315083 /nfs/dbraw/zinc/31/50/83/376315083.db2.gz LPUCAGXCMGVMQR-UHFFFAOYSA-N 1 0 270.376 3.421 50 0 CGAARO Cc1ccc([C@@H]2C[N@H+](CC3Cc4ccccc4C3)CCO2)o1 ZINC000225639243 376320180 /nfs/dbraw/zinc/32/01/80/376320180.db2.gz MJKMOCHUKAFUCW-IBGZPJMESA-N 1 0 297.398 3.376 50 0 CGAARO COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000229859283 376472399 /nfs/dbraw/zinc/47/23/99/376472399.db2.gz SZOCMWIUYGXTKT-CABCVRRESA-N 1 0 299.418 3.054 50 0 CGAARO CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230210216 376496421 /nfs/dbraw/zinc/49/64/21/376496421.db2.gz VMEBZONBCVZZPH-HRCADAONSA-N 1 0 280.456 3.146 50 0 CGAARO COCc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000230161591 376493684 /nfs/dbraw/zinc/49/36/84/376493684.db2.gz ZSWKWKRREDMPJR-WCQYABFASA-N 1 0 266.410 3.054 50 0 CGAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237545154 376748547 /nfs/dbraw/zinc/74/85/47/376748547.db2.gz OONKTZZHPYQJPQ-UONOGXRCSA-N 1 0 298.386 3.065 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000240122351 376773664 /nfs/dbraw/zinc/77/36/64/376773664.db2.gz VWTPLFUVVFAARL-WBVHZDCISA-N 1 0 291.435 3.226 50 0 CGAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nccn1C(F)F ZINC000247466030 377206637 /nfs/dbraw/zinc/20/66/37/377206637.db2.gz IVMMLTNKQXFDHG-GRYCIOLGSA-N 1 0 269.339 3.431 50 0 CGAARO CC(C)[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccn1 ZINC000252486541 377627427 /nfs/dbraw/zinc/62/74/27/377627427.db2.gz LEIIREHYWVUGNE-BVUBDWEXSA-N 1 0 274.408 3.182 50 0 CGAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCCCn1cncn1 ZINC000252511473 377635846 /nfs/dbraw/zinc/63/58/46/377635846.db2.gz HDFJBFKUDRGSLZ-OWCLPIDISA-N 1 0 276.428 3.101 50 0 CGAARO Fc1cccc([C@H]2CC[C@H]([NH2+]Cc3csnn3)C2)c1 ZINC000253428031 377693076 /nfs/dbraw/zinc/69/30/76/377693076.db2.gz GHONREJNYUWRHY-AAEUAGOBSA-N 1 0 277.368 3.103 50 0 CGAARO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(O)c1 ZINC000253432791 377693106 /nfs/dbraw/zinc/69/31/06/377693106.db2.gz OCMGUEDIKVZBEN-SUMWQHHRSA-N 1 0 271.360 3.167 50 0 CGAARO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCc1ccncc1C ZINC000583651236 378338493 /nfs/dbraw/zinc/33/84/93/378338493.db2.gz 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SBKXCPMRKVGNOP-UHFFFAOYSA-N 1 0 299.422 3.048 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000222118295 130788503 /nfs/dbraw/zinc/78/85/03/130788503.db2.gz UMYDXYLRCLSEQN-UHFFFAOYSA-N 1 0 293.313 3.070 50 0 CGAARO COCC[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000061715002 392129741 /nfs/dbraw/zinc/12/97/41/392129741.db2.gz PWYOIRHXWNQOEO-HNNXBMFYSA-N 1 0 258.365 3.090 50 0 CGAARO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)o1 ZINC000072165049 392195544 /nfs/dbraw/zinc/19/55/44/392195544.db2.gz JNEKBFVXUPEGHA-GOSISDBHSA-N 1 0 297.398 3.039 50 0 CGAARO CN(C)C(=O)OCC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000096012958 392245482 /nfs/dbraw/zinc/24/54/82/392245482.db2.gz DYXPOYGYGVJNCK-UHFFFAOYSA-N 1 0 294.395 3.113 50 0 CGAARO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000096414957 392251679 /nfs/dbraw/zinc/25/16/79/392251679.db2.gz NJDXZIDSOHOQKI-MRXNPFEDSA-N 1 0 298.361 3.316 50 0 CGAARO CCC[N@@H+](Cc1c(C)noc1C)C[C@H]1CCCCO1 ZINC000097496906 392261876 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Cn1cc([C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)cn1 ZINC000255839019 393134556 /nfs/dbraw/zinc/13/45/56/393134556.db2.gz DUKJZPWCENJNAN-GWQWAINWSA-N 1 0 285.366 3.062 50 0 CGAARO Cc1cccc2[nH]c(CC[N@H+](C)CC[C@@H]3CC3(F)F)nc21 ZINC000670465625 543156583 /nfs/dbraw/zinc/15/65/83/543156583.db2.gz NNAWNYPQQRFBIP-GFCCVEGCSA-N 1 0 293.361 3.391 50 0 CGAARO C[NH+](C)C[C@@H]1CCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670452576 543155201 /nfs/dbraw/zinc/15/52/01/543155201.db2.gz DRIMRVIQCWDBBS-LBPRGKRZSA-N 1 0 291.826 3.205 50 0 CGAARO Nc1ncc(C[NH+]2CCC3(CCc4ccccc43)CC2)s1 ZINC000670473752 543157680 /nfs/dbraw/zinc/15/76/80/543157680.db2.gz RQXNDJXURLCPFG-UHFFFAOYSA-N 1 0 299.443 3.205 50 0 CGAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c[nH]c2ccccc12 ZINC000670462270 543156945 /nfs/dbraw/zinc/15/69/45/543156945.db2.gz IECUBOVGGRQVSB-ZSHCYNCHSA-N 1 0 284.403 3.352 50 0 CGAARO Cc1cc(C(F)(F)F)nc(C[NH2+]C2CCCCC2)n1 ZINC000670473457 543157593 /nfs/dbraw/zinc/15/75/93/543157593.db2.gz AVXFRDGISXVRSC-UHFFFAOYSA-N 1 0 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170482105 /nfs/dbraw/zinc/48/21/05/170482105.db2.gz CPARHEZVDAJPSI-UHFFFAOYSA-N 1 0 257.337 3.157 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731597 170583237 /nfs/dbraw/zinc/58/32/37/170583237.db2.gz FHRRAHXOHNWRKS-GFCCVEGCSA-N 1 0 257.337 3.157 50 0 CGAARO OCC[C@@H]1CCCC[N@@H+]1CCc1ccc(F)cc1Cl ZINC000020450640 171207358 /nfs/dbraw/zinc/20/73/58/171207358.db2.gz JGSWXUNNSZXZBX-AWEZNQCLSA-N 1 0 285.790 3.259 50 0 CGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)o1 ZINC000022579077 171392264 /nfs/dbraw/zinc/39/22/64/171392264.db2.gz BOPGCEJBXORJOR-UHFFFAOYSA-N 1 0 276.380 3.053 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CC[C@H](C)C2)cc1OC ZINC000023280193 171418220 /nfs/dbraw/zinc/41/82/20/171418220.db2.gz JJZJQWLRGRNPLB-GXTWGEPZSA-N 1 0 263.381 3.025 50 0 CGAARO COc1ccccc1NC(=O)CC[NH+]1CCCCCCC1 ZINC000024896403 171443159 /nfs/dbraw/zinc/44/31/59/171443159.db2.gz ZJIAVHNTTUSJEK-UHFFFAOYSA-N 1 0 290.407 3.290 50 0 CGAARO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000032516027 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ZINC000038668731 174151717 /nfs/dbraw/zinc/15/17/17/174151717.db2.gz QOYVMSBQHQYKMX-CQSZACIVSA-N 1 0 284.403 3.263 50 0 CGAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000040513720 174305941 /nfs/dbraw/zinc/30/59/41/174305941.db2.gz COGGPECZDWTCLX-UHFFFAOYSA-N 1 0 297.358 3.277 50 0 CGAARO CCc1cccc(C)c1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000040525488 174313791 /nfs/dbraw/zinc/31/37/91/174313791.db2.gz NDEOUUJKZATKDE-UHFFFAOYSA-N 1 0 289.423 3.115 50 0 CGAARO CCCOc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773070 174872154 /nfs/dbraw/zinc/87/21/54/174872154.db2.gz RPXSMYXADYUQSD-CQSZACIVSA-N 1 0 263.381 3.244 50 0 CGAARO Cc1nc2sccn2c1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000044917852 175276765 /nfs/dbraw/zinc/27/67/65/175276765.db2.gz RNPOFWGZWDESOF-UHFFFAOYSA-N 1 0 289.379 3.442 50 0 CGAARO COc1ccc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)c(C)c1 ZINC000067459372 175775438 /nfs/dbraw/zinc/77/54/38/175775438.db2.gz HPAVDRJMOFVIIZ-HNNXBMFYSA-N 1 0 283.371 3.241 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccccc1 ZINC000072117760 176319021 /nfs/dbraw/zinc/31/90/21/176319021.db2.gz FKFOAWDUWQNCCO-MRXNPFEDSA-N 1 0 289.423 3.463 50 0 CGAARO C[C@@H](CCNC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000072117481 176319349 /nfs/dbraw/zinc/31/93/49/176319349.db2.gz LDVQHBHPKJIOMX-LBPRGKRZSA-N 1 0 295.814 3.336 50 0 CGAARO c1ccc(COCC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000072140499 176323306 /nfs/dbraw/zinc/32/33/06/176323306.db2.gz SDSMNKYJWCLLHY-UHFFFAOYSA-N 1 0 289.419 3.096 50 0 CGAARO c1c2ccccc2[nH]c1C[NH+]1CC(c2cccnc2)C1 ZINC000072145427 176325053 /nfs/dbraw/zinc/32/50/53/176325053.db2.gz NUOIGYGFKGWRSF-UHFFFAOYSA-N 1 0 263.344 3.162 50 0 CGAARO CCn1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cn1 ZINC000072165646 176331236 /nfs/dbraw/zinc/33/12/36/176331236.db2.gz BLLRKINQHFXBCV-QGZVFWFLSA-N 1 0 269.392 3.412 50 0 CGAARO Clc1ccccc1OC1CN(c2cc[nH+]cc2)C1 ZINC000077407692 177264019 /nfs/dbraw/zinc/26/40/19/177264019.db2.gz QGLHZYKNMHBFSM-UHFFFAOYSA-N 1 0 260.724 3.003 50 0 CGAARO C[N@H+](Cc1ncc(-c2ccc(Cl)cc2)o1)CC(C)(C)O 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CC(C)CSC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000095968702 277431116 /nfs/dbraw/zinc/43/11/16/277431116.db2.gz MLIOSUYBDDMYMB-OLZOCXBDSA-N 1 0 296.484 3.043 50 0 CGAARO CC(C)(C)C1CCC(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000027932566 278300066 /nfs/dbraw/zinc/30/00/66/278300066.db2.gz HQKVAPBKZMMEFI-UYSNPLJNSA-N 1 0 292.467 3.146 50 0 CGAARO CC(C)(C)C1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000012381368 278301573 /nfs/dbraw/zinc/30/15/73/278301573.db2.gz OZVNKDFBWWDFFK-UHFFFAOYSA-N 1 0 253.430 3.484 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142111 279054928 /nfs/dbraw/zinc/05/49/28/279054928.db2.gz ZKSAMAMMTQJPPQ-QWRGUYRKSA-N 1 0 275.318 3.237 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000038011509 279061236 /nfs/dbraw/zinc/06/12/36/279061236.db2.gz DLRDJXYHEAPEQS-ZDUSSCGKSA-N 1 0 277.368 3.184 50 0 CGAARO CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000251738383 280325333 /nfs/dbraw/zinc/32/53/33/280325333.db2.gz SYOZACZHKPMCKL-YZDRTPDPSA-N 1 0 250.430 3.170 50 0 CGAARO Cc1ccccc1N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072149690 281346688 /nfs/dbraw/zinc/34/66/88/281346688.db2.gz ZQNPWNCQAAQZTD-UHFFFAOYSA-N 1 0 281.403 3.102 50 0 CGAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000361748582 293621637 /nfs/dbraw/zinc/62/16/37/293621637.db2.gz BMQBMZYPFSAMMS-IACUBPJLSA-N 1 0 280.437 3.376 50 0 CGAARO Fc1cccc(C2([NH2+]C3CCC4(CC3)OCCO4)CC2)c1 ZINC000157320468 303133921 /nfs/dbraw/zinc/13/39/21/303133921.db2.gz AGUNRNFMINSUMP-UHFFFAOYSA-N 1 0 291.366 3.090 50 0 CGAARO CC[NH+](CC)CC1(NC(=O)c2cc(C)ccc2Cl)CC1 ZINC000534655111 328339272 /nfs/dbraw/zinc/33/92/72/328339272.db2.gz GXAHDHXLNFRBGP-UHFFFAOYSA-N 1 0 294.826 3.253 50 0 CGAARO CC(=O)c1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000002846549 326799061 /nfs/dbraw/zinc/79/90/61/326799061.db2.gz RBZPRBICRRWDIW-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CN(C)CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000019872369 521789396 /nfs/dbraw/zinc/78/93/96/521789396.db2.gz DFHJZTJPUCLKRR-UHFFFAOYSA-N 1 0 278.783 3.251 50 0 CGAARO COCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000012383711 523375938 /nfs/dbraw/zinc/37/59/38/523375938.db2.gz JGYIIIWQVOCKCF-ZDUSSCGKSA-N 1 0 289.375 3.126 50 0 CGAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000012304262 525902902 /nfs/dbraw/zinc/90/29/02/525902902.db2.gz JBIIMGYAWFAADR-INIZCTEOSA-N 1 0 299.418 3.263 50 0 CGAARO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000170601615 527737793 /nfs/dbraw/zinc/73/77/93/527737793.db2.gz LDHXRXKGOUSNLR-LSDHHAIUSA-N 1 0 294.439 3.212 50 0 CGAARO CCC[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C(C)C)C[NH2+]1 ZINC000223762263 535436798 /nfs/dbraw/zinc/43/67/98/535436798.db2.gz KXCTZCCROVMVMI-IAGOWNOFSA-N 1 0 278.415 3.424 50 0 CGAARO CC(C)(C)c1cn2c(n1)[C@@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084284636 566881738 /nfs/dbraw/zinc/88/17/38/566881738.db2.gz XOEFIJSHGOGLDN-OAHLLOKOSA-N 1 0 298.434 3.243 50 0 CGAARO CC[N@H+](Cc1ccc(-c2ccccn2)cc1)[C@@H](C)CCO ZINC000952987080 615067927 /nfs/dbraw/zinc/06/79/27/615067927.db2.gz JDVWCNXBUWWAGV-HNNXBMFYSA-N 1 0 284.403 3.341 50 0 CGAARO CCOc1ccc(C[N@H+](C)[C@@H](CC)c2cccnc2)cn1 ZINC000952971805 615510223 /nfs/dbraw/zinc/51/02/23/615510223.db2.gz VQQFBQUQAGHRCZ-INIZCTEOSA-N 1 0 285.391 3.458 50 0 CGAARO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000156855562 618150122 /nfs/dbraw/zinc/15/01/22/618150122.db2.gz BYOPGSNWODHTLA-HNNXBMFYSA-N 1 0 295.471 3.127 50 0 CGAARO CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000019742856 618970649 /nfs/dbraw/zinc/97/06/49/618970649.db2.gz FFIUTWVRDQDEDC-JKSUJKDBSA-N 1 0 292.467 3.360 50 0 CGAARO c1cc(C[NH2+]CCCn2ccc3ccccc32)co1 ZINC000062103370 623197775 /nfs/dbraw/zinc/19/77/75/623197775.db2.gz YDXKEWJKMOXUJP-UHFFFAOYSA-N 1 0 254.333 3.414 50 0 CGAARO c1cncc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCCC2)c1 ZINC000011761796 625944231 /nfs/dbraw/zinc/94/42/31/625944231.db2.gz RJZKPRHJDVSHNF-MRXNPFEDSA-N 1 0 294.402 3.448 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)n1 ZINC000952964317 636775368 /nfs/dbraw/zinc/77/53/68/636775368.db2.gz NPNMNZFWOMHRLU-CYBMUJFWSA-N 1 0 291.826 3.374 50 0 CGAARO O=C(C[NH+]1CCCCCC1)Nc1ccc2scnc2c1 ZINC000952992006 636777502 /nfs/dbraw/zinc/77/75/02/636777502.db2.gz VJCBTLLTXKRIQB-UHFFFAOYSA-N 1 0 289.404 3.111 50 0 CGAARO c1coc([C@@H](CC[NH2+]Cc2cnc[nH]2)c2ccccc2)c1 ZINC000952984620 636777847 /nfs/dbraw/zinc/77/78/47/636777847.db2.gz PYGZYPXRQRQHPC-INIZCTEOSA-N 1 0 281.359 3.315 50 0 CGAARO Cc1cccc(C)c1OCCOCC[NH+]1CCCCC1 ZINC000016663353 641015720 /nfs/dbraw/zinc/01/57/20/641015720.db2.gz AAOUDMYQKMDUFO-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000032553446 798849417 /nfs/dbraw/zinc/84/94/17/798849417.db2.gz SYCRHRPRHUVTFA-HOTGVXAUSA-N 1 0 290.451 3.185 50 0 CGAARO CCOc1cccc(CN(Cc2cc(C)n[nH]2)C2CC2)c1 ZINC000142547779 799044936 /nfs/dbraw/zinc/04/49/36/799044936.db2.gz XDJICHINKOEYQK-UHFFFAOYSA-N 1 0 285.391 3.281 50 0 CGAARO CO[C@@H]1CCC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000581803403 799674127 /nfs/dbraw/zinc/67/41/27/799674127.db2.gz KUAUOWJXGGWPHU-OAHLLOKOSA-N 1 0 281.346 3.356 50 0 CGAARO Cc1ccc2[nH]c(C[NH2+]C[C@@H](CO)C3CCC3)cc2c1C ZINC000585081792 799676154 /nfs/dbraw/zinc/67/61/54/799676154.db2.gz CFHWDEARLRFWFQ-HNNXBMFYSA-N 1 0 286.419 3.283 50 0 CGAARO Cc1cc(C)nc(CN(C)[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000825148998 800473728 /nfs/dbraw/zinc/47/37/28/800473728.db2.gz YYYBGLWROGHZTC-INIZCTEOSA-N 1 0 275.440 3.005 50 0 CGAARO C[C@@H](/C=C/c1cccs1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000952878083 800686150 /nfs/dbraw/zinc/68/61/50/800686150.db2.gz YTBKRCFRSOFTAY-IHVVCDCBSA-N 1 0 293.432 3.425 50 0 CGAARO CCCO[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000032511835 928046203 /nfs/dbraw/zinc/04/62/03/928046203.db2.gz HHRYZGDJBZTVIL-QGZVFWFLSA-N 1 0 259.393 3.045 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)c1ccc(Cl)cn1 ZINC001506396808 937989378 /nfs/dbraw/zinc/98/93/78/937989378.db2.gz OEUBPLGIMNSIOX-UHFFFAOYSA-N 1 0 267.804 3.046 50 0 CGAARO CCc1nccn1C[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC001506416356 937989749 /nfs/dbraw/zinc/98/97/49/937989749.db2.gz ATPVIFNLIQGFTO-GFCCVEGCSA-N 1 0 263.410 3.028 50 0 CGAARO C[N@H+](CCn1cccn1)C[C@]1(c2ccccc2)CC1(C)C ZINC001529102161 938070820 /nfs/dbraw/zinc/07/08/20/938070820.db2.gz YUNNHROXKJUFGW-SFHVURJKSA-N 1 0 283.419 3.183 50 0 CGAARO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000095963278 185044268 /nfs/dbraw/zinc/04/42/68/185044268.db2.gz NPERUCVYNRMBNC-ZDUSSCGKSA-N 1 0 291.439 3.203 50 0 CGAARO CC(C)N(Cc1cccc(Cl)c1)C(=O)C[C@H](C)C[NH3+] ZINC000095967049 185046154 /nfs/dbraw/zinc/04/61/54/185046154.db2.gz WHRYODPALBNOLV-LBPRGKRZSA-N 1 0 282.815 3.062 50 0 CGAARO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(Cl)s1 ZINC000095969280 185047422 /nfs/dbraw/zinc/04/74/22/185047422.db2.gz VCNBGGNEFAJEJT-QWRGUYRKSA-N 1 0 289.828 3.248 50 0 CGAARO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1nc(C)cs1 ZINC000096013868 185065911 /nfs/dbraw/zinc/06/59/11/185065911.db2.gz HAFWHHMOKBDBLB-KBPBESRZSA-N 1 0 294.395 3.365 50 0 CGAARO Fc1ccc(Cc2cnc([C@@H]3CCCC[NH2+]3)o2)cc1 ZINC000096032188 185067697 /nfs/dbraw/zinc/06/76/97/185067697.db2.gz SVQXUSRNJRCCRO-AWEZNQCLSA-N 1 0 260.312 3.219 50 0 CGAARO Cc1nnc(-c2cccc(-c3ccc(C[NH3+])nc3)c2)s1 ZINC000096149827 185107081 /nfs/dbraw/zinc/10/70/81/185107081.db2.gz YDQZUDLDMSCJGG-UHFFFAOYSA-N 1 0 282.372 3.034 50 0 CGAARO CCCc1ccc([C@@H]([NH2+]CC(=O)NC(C)C)C(C)C)cc1 ZINC000096955858 185140479 /nfs/dbraw/zinc/14/04/79/185140479.db2.gz JRRGLDDBGACOKC-SFHVURJKSA-N 1 0 290.451 3.450 50 0 CGAARO CC(C)c1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000097034531 185156765 /nfs/dbraw/zinc/15/67/65/185156765.db2.gz BVHZRRVVZPWHHA-CFVMTHIKSA-N 1 0 278.396 3.091 50 0 CGAARO CCc1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2)on1 ZINC000096478220 529528438 /nfs/dbraw/zinc/52/84/38/529528438.db2.gz CXWJVDWMQDASFS-LLVKDONJSA-N 1 0 262.328 3.097 50 0 CGAARO c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000038351765 344955585 /nfs/dbraw/zinc/95/55/85/344955585.db2.gz RNZXCSZUVOWBTC-MRXNPFEDSA-N 1 0 252.361 3.461 50 0 CGAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)C1CCC1 ZINC000076090948 345533232 /nfs/dbraw/zinc/53/32/32/345533232.db2.gz BKKGUXDQQCXBNT-UHFFFAOYSA-N 1 0 279.405 3.056 50 0 CGAARO C[C@@H]([NH2+]CCCc1nc2ccccc2o1)[C@H](C)n1cccn1 ZINC000075606642 345514527 /nfs/dbraw/zinc/51/45/27/345514527.db2.gz SQDACDQRGJENLW-KGLIPLIRSA-N 1 0 298.390 3.196 50 0 CGAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000097228471 185567929 /nfs/dbraw/zinc/56/79/29/185567929.db2.gz IXQHBWYEJKCFHZ-YRGRVCCFSA-N 1 0 279.453 3.061 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000169677987 346192547 /nfs/dbraw/zinc/19/25/47/346192547.db2.gz BDOXPSWTKNOCFU-GDBMZVCRSA-N 1 0 299.480 3.382 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000169677988 346192809 /nfs/dbraw/zinc/19/28/09/346192809.db2.gz BDOXPSWTKNOCFU-GOEBONIOSA-N 1 0 299.480 3.382 50 0 CGAARO C[C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)C(C)(C)CO1 ZINC000170616094 346195684 /nfs/dbraw/zinc/19/56/84/346195684.db2.gz WVSJGXJWZZKMPH-CQSZACIVSA-N 1 0 289.419 3.053 50 0 CGAARO COC(=O)C1CCC([NH2+]C2CCC(OC(C)C)CC2)CC1 ZINC000192446039 346268194 /nfs/dbraw/zinc/26/81/94/346268194.db2.gz FGQDCJQNXREZRL-UHFFFAOYSA-N 1 0 297.439 3.044 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000248132608 346374374 /nfs/dbraw/zinc/37/43/74/346374374.db2.gz NOQBNFYRLHFTQI-HUUCEWRRSA-N 1 0 298.386 3.132 50 0 CGAARO C[C@@H](CCSc1ccc(F)cc1)[NH2+]CC1(CO)CCC1 ZINC000584891411 346722401 /nfs/dbraw/zinc/72/24/01/346722401.db2.gz RSODLYQORZTJGX-ZDUSSCGKSA-N 1 0 297.439 3.449 50 0 CGAARO c1ccc(C2([NH2+]C3CSCCSC3)CC2)cc1 ZINC000584898048 346723011 /nfs/dbraw/zinc/72/30/11/346723011.db2.gz XFDVIBFIHIAOLC-UHFFFAOYSA-N 1 0 265.447 3.114 50 0 CGAARO O=C1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CCN1CC1CC1 ZINC000584896524 346723046 /nfs/dbraw/zinc/72/30/46/346723046.db2.gz SPVNXGGKKTXQOF-QGZVFWFLSA-N 1 0 298.430 3.056 50 0 CGAARO C[NH2+]C(C)(C)c1cn(Cc2c(C)ccc3ccccc32)nn1 ZINC000585134354 346724606 /nfs/dbraw/zinc/72/46/06/346724606.db2.gz PBMUOUGJFYBSIP-UHFFFAOYSA-N 1 0 294.402 3.243 50 0 CGAARO CC(=O)N(CCC[NH+](C)C)C[C@H]1[C@H](C)CC(C)=C[C@@H]1C ZINC000101788772 185759186 /nfs/dbraw/zinc/75/91/86/185759186.db2.gz ZLYRCIIIWXAQLB-ZMSDIMECSA-N 1 0 280.456 3.025 50 0 biogenic CGAARO C[C@H]([NH2+]C/C=C\c1ccccn1)[C@H](c1ccccc1)N(C)C ZINC000606444478 348184468 /nfs/dbraw/zinc/18/44/68/348184468.db2.gz VKOHGPOPNOWCOS-KTCXJQQJSA-N 1 0 295.430 3.376 50 0 CGAARO CS[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090725147 180033089 /nfs/dbraw/zinc/03/30/89/180033089.db2.gz LPZABJUGJJYHJE-CHWSQXEVSA-N 1 0 292.448 3.216 50 0 CGAARO CC[N@H+](Cc1cnc2cnccn12)[C@@H](C)c1ccc(F)cc1 ZINC000092123461 180328986 /nfs/dbraw/zinc/32/89/86/180328986.db2.gz WNYLUMKSJNPLGX-ZDUSSCGKSA-N 1 0 298.365 3.452 50 0 CGAARO Cc1occc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135277 186103576 /nfs/dbraw/zinc/10/35/76/186103576.db2.gz SUTLJBBMLDWEOI-CJNGLKHVSA-N 1 0 298.386 3.153 50 0 CGAARO CC[NH+](CC)CCc1ccc(Br)cc1 ZINC000115632762 186681170 /nfs/dbraw/zinc/68/11/70/186681170.db2.gz FZDGIJLUYNFNME-UHFFFAOYSA-N 1 0 256.187 3.333 50 0 CGAARO C[NH2+][C@@H]1CCCN(C(=O)c2sc3ccccc3c2C)C1 ZINC000133470501 187687157 /nfs/dbraw/zinc/68/71/57/187687157.db2.gz YULDGYOCVIPNQT-GFCCVEGCSA-N 1 0 288.416 3.034 50 0 CGAARO Ic1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000002582621 283041003 /nfs/dbraw/zinc/04/10/03/283041003.db2.gz PYJGNOJFRGJSEX-NSHDSACASA-N 1 0 287.144 3.106 50 0 CGAARO CC(C)c1nc(C[N@@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342022962 216191219 /nfs/dbraw/zinc/19/12/19/216191219.db2.gz QQFHNBMGMQJUCB-CQSZACIVSA-N 1 0 282.453 3.394 50 0 CGAARO Cc1cccc(C)c1C[NH2+][C@H](CO)c1ccccc1 ZINC000179227574 189179346 /nfs/dbraw/zinc/17/93/46/189179346.db2.gz XYAQEINDNVIGOM-QGZVFWFLSA-N 1 0 255.361 3.127 50 0 CGAARO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCC2 ZINC000121402558 370857876 /nfs/dbraw/zinc/85/78/76/370857876.db2.gz HEUBKDMFMFQCHJ-XQQFMLRXSA-N 1 0 294.464 3.224 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000000207506 368315254 /nfs/dbraw/zinc/31/52/54/368315254.db2.gz QKNKOQCVXNJJNR-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO COc1cc(C[NH+]2CCCCCC2)cc(OC)c1OC ZINC000000238050 368321638 /nfs/dbraw/zinc/32/16/38/368321638.db2.gz NPZYVBSVFSDDMH-UHFFFAOYSA-N 1 0 279.380 3.088 50 0 CGAARO Oc1cc(Cc2ccccc2)cnc1C[NH+]1CCCCC1 ZINC000000186208 368312048 /nfs/dbraw/zinc/31/20/48/368312048.db2.gz LWCZNOISFRHDQU-UHFFFAOYSA-N 1 0 282.387 3.364 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)CCc1ccccc1 ZINC000000380417 368353191 /nfs/dbraw/zinc/35/31/91/368353191.db2.gz ZGFIYFUXTFLERB-OAHLLOKOSA-N 1 0 275.392 3.037 50 0 CGAARO C[N@@H+]1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000000388640 368355403 /nfs/dbraw/zinc/35/54/03/368355403.db2.gz XIJAGFLYYNXCAB-KRWDZBQOSA-N 1 0 267.372 3.017 50 0 CGAARO Clc1ccc(CSC2=[NH+]CCN2)cc1Cl ZINC000001602665 368424048 /nfs/dbraw/zinc/42/40/48/368424048.db2.gz BARIUPBFDQHVBQ-UHFFFAOYSA-N 1 0 261.177 3.186 50 0 in-vitro CGAARO O=C(NCCC[NH2+]C1CCCCC1)c1cc2ccccc2[nH]1 ZINC000002180678 368449147 /nfs/dbraw/zinc/44/91/47/368449147.db2.gz MRILWNHOBYYQKF-UHFFFAOYSA-N 1 0 299.418 3.210 50 0 CGAARO CCC[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000002638622 368471177 /nfs/dbraw/zinc/47/11/77/368471177.db2.gz UVFFXSYKPDQACO-SFHVURJKSA-N 1 0 299.414 3.153 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH2+]C2CCCC2)ccc1C(C)C ZINC000002701424 368472271 /nfs/dbraw/zinc/47/22/71/368472271.db2.gz RTCIIGBMHHHVHE-MRXNPFEDSA-N 1 0 291.435 3.390 50 0 CGAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000002657945 368472831 /nfs/dbraw/zinc/47/28/31/368472831.db2.gz STAFVYCBOLYFHT-MRXNPFEDSA-N 1 0 291.435 3.128 50 0 CGAARO COc1ccccc1C[NH2+]Cc1c[nH]c2ccccc12 ZINC000002573307 368466541 /nfs/dbraw/zinc/46/65/41/368466541.db2.gz VMSZEVXBSPOKIL-UHFFFAOYSA-N 1 0 266.344 3.466 50 0 CGAARO C[NH+](C)C1(CNC(=S)Nc2ccccc2)CCCCC1 ZINC000003328475 368503237 /nfs/dbraw/zinc/50/32/37/368503237.db2.gz NUZASCADELQUFP-UHFFFAOYSA-N 1 0 291.464 3.238 50 0 CGAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C(=O)OC)cc1 ZINC000002823966 368479674 /nfs/dbraw/zinc/47/96/74/368479674.db2.gz RYXRRSVXHOVULB-CYBMUJFWSA-N 1 0 279.380 3.020 50 0 CGAARO CC(C)[NH2+]CCOc1ccc(Cl)cc1Br ZINC000003002017 368487955 /nfs/dbraw/zinc/48/79/55/368487955.db2.gz BOAIHSBVSHSMLD-UHFFFAOYSA-N 1 0 292.604 3.479 50 0 CGAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000003154571 368494217 /nfs/dbraw/zinc/49/42/17/368494217.db2.gz ZFVBVEADHVLSRL-INIZCTEOSA-N 1 0 291.435 3.210 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000003395553 368506211 /nfs/dbraw/zinc/50/62/11/368506211.db2.gz HZLNHHAVICFFEX-DLBZAZTESA-N 1 0 299.414 3.394 50 0 CGAARO Cc1c(O)ccc2c(C[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC000004340536 368542889 /nfs/dbraw/zinc/54/28/89/368542889.db2.gz CUKMHXBEGRCNED-UHFFFAOYSA-N 1 0 287.359 3.039 50 0 biogenic CGAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccs1 ZINC000004488544 368547620 /nfs/dbraw/zinc/54/76/20/368547620.db2.gz DMCWMLFXKNKNEZ-UHFFFAOYSA-N 1 0 293.388 3.064 50 0 CGAARO Cc1scc(C[NH+]2CCN(c3ccccn3)CC2)c1C ZINC000006895126 368570319 /nfs/dbraw/zinc/57/03/19/368570319.db2.gz DXKIFYMOWIRDLE-UHFFFAOYSA-N 1 0 287.432 3.082 50 0 CGAARO Cn1cc([C@H](C[NH3+])c2ccccc2)c2ccccc21 ZINC000009696492 368576549 /nfs/dbraw/zinc/57/65/49/368576549.db2.gz NBHVFWUDGJEAON-OAHLLOKOSA-N 1 0 250.345 3.269 50 0 CGAARO CC1(C)C[C@H]([NH3+])c2cc(Br)ccc2O1 ZINC000011848963 368597547 /nfs/dbraw/zinc/59/75/47/368597547.db2.gz PXJLFYGCARIYEH-VIFPVBQESA-N 1 0 256.143 3.010 50 0 CGAARO COc1ccc(Cc2nc(C)c([C@H](C)[NH3+])s2)cc1OC ZINC000011850343 368598686 /nfs/dbraw/zinc/59/86/86/368598686.db2.gz WDTVJHBNXXOKQS-VIFPVBQESA-N 1 0 292.404 3.079 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000012382496 368610453 /nfs/dbraw/zinc/61/04/53/368610453.db2.gz CFFYRIUKXISMMB-UHFFFAOYSA-N 1 0 280.456 3.336 50 0 CGAARO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000012420151 368613071 /nfs/dbraw/zinc/61/30/71/368613071.db2.gz QHXYVRKJNRBOAZ-WBVHZDCISA-N 1 0 299.414 3.481 50 0 CGAARO [NH3+][C@H](c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000012650679 368622241 /nfs/dbraw/zinc/62/22/41/368622241.db2.gz COTBFWYVJVSILN-ZDUSSCGKSA-N 1 0 278.149 3.203 50 0 CGAARO O=C(C[C@@H]1C=CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013012734 368640689 /nfs/dbraw/zinc/64/06/89/368640689.db2.gz AKFCOPBALIKPEG-MRXNPFEDSA-N 1 0 298.430 3.124 50 0 CGAARO COCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000015356861 368694082 /nfs/dbraw/zinc/69/40/82/368694082.db2.gz MQRIALJNBNOWJQ-UHFFFAOYSA-N 1 0 277.389 3.063 50 0 CGAARO O[C@@H](C[NH2+]Cc1ccccc1Cl)c1ccccc1 ZINC000016477529 368713528 /nfs/dbraw/zinc/71/35/28/368713528.db2.gz SQSICFBIMOMLFW-HNNXBMFYSA-N 1 0 261.752 3.163 50 0 CGAARO Cc1ccc(COC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000016577787 368714981 /nfs/dbraw/zinc/71/49/81/368714981.db2.gz PAWQSMOBOGCYPF-XYJFISCASA-N 1 0 291.435 3.135 50 0 CGAARO COc1ccccc1OC/C=C/C[N@@H+]1CCC[C@H](C)C1 ZINC000016623358 368718072 /nfs/dbraw/zinc/71/80/72/368718072.db2.gz ISNZZWDLOKDPGT-NFAHFFEMSA-N 1 0 275.392 3.362 50 0 CGAARO CC[NH2+]CC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000014165346 368675071 /nfs/dbraw/zinc/67/50/71/368675071.db2.gz WAHMLBAEEYCFIK-UHFFFAOYSA-N 1 0 284.359 3.335 50 0 CGAARO c1ccc(COc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632228 368683668 /nfs/dbraw/zinc/68/36/68/368683668.db2.gz ZTKMKAZVKLSCPJ-KRWDZBQOSA-N 1 0 269.344 3.006 50 0 CGAARO Cc1cc(O[C@H]2CC[NH2+]C2)c(Cl)c(C)c1Cl ZINC000014632292 368684535 /nfs/dbraw/zinc/68/45/35/368684535.db2.gz JVLXGRRAAAWLKM-VIFPVBQESA-N 1 0 260.164 3.351 50 0 CGAARO Fc1ccc(C[NH2+][C@H]2COc3ccccc3C2)c(F)c1 ZINC000014977451 368687354 /nfs/dbraw/zinc/68/73/54/368687354.db2.gz TWLWOGOGJBRMCX-CQSZACIVSA-N 1 0 275.298 3.058 50 0 CGAARO CC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019737912 368763363 /nfs/dbraw/zinc/76/33/63/368763363.db2.gz BFQINCRRDWDXIZ-BBRMVZONSA-N 1 0 263.381 3.133 50 0 CGAARO CCC(CC)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000019500283 368755605 /nfs/dbraw/zinc/75/56/05/368755605.db2.gz WMBDDKISCWCKEY-UHFFFAOYSA-N 1 0 276.424 3.001 50 0 CGAARO Fc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019536588 368756983 /nfs/dbraw/zinc/75/69/83/368756983.db2.gz WDHSPUKPVFVVLS-UHFFFAOYSA-N 1 0 284.378 3.144 50 0 CGAARO C[N@@H+]1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019536609 368757143 /nfs/dbraw/zinc/75/71/43/368757143.db2.gz CLZXYEUGZXZRLB-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1cccc(Cl)c1 ZINC000019606628 368758198 /nfs/dbraw/zinc/75/81/98/368758198.db2.gz LKOIZWCYZLBYQO-UHFFFAOYSA-N 1 0 260.768 3.410 50 0 CGAARO c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000022913532 368814489 /nfs/dbraw/zinc/81/44/89/368814489.db2.gz BHEXKVGLZMEJRQ-GOSISDBHSA-N 1 0 266.388 3.051 50 0 CGAARO COc1ccc([C@H]([NH3+])c2ccccc2Cl)c(OC)c1 ZINC000019967691 368792556 /nfs/dbraw/zinc/79/25/56/368792556.db2.gz JDCHLYKUKUWNDY-OAHLLOKOSA-N 1 0 277.751 3.405 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+]Cc1ccccc1Cl ZINC000030666732 368904975 /nfs/dbraw/zinc/90/49/75/368904975.db2.gz KOHHNVMODZPUGQ-UHFFFAOYSA-N 1 0 263.772 3.094 50 0 CGAARO C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033559736 368966761 /nfs/dbraw/zinc/96/67/61/368966761.db2.gz SPGKLFIXNAGNAN-SNVBAGLBSA-N 1 0 263.772 3.448 50 0 CGAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cnn(C)c1 ZINC000037108011 369062995 /nfs/dbraw/zinc/06/29/95/369062995.db2.gz BCZYVCXWAKPITJ-CQSZACIVSA-N 1 0 273.380 3.125 50 0 CGAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000037975596 369128729 /nfs/dbraw/zinc/12/87/29/369128729.db2.gz ZXUIETDAYMWIIP-RYUDHWBXSA-N 1 0 280.799 3.002 50 0 CGAARO CSC[C@H](C)[N@@H+]1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000042628399 369227209 /nfs/dbraw/zinc/22/72/09/369227209.db2.gz CZDBRLYWNRXTNG-ZFWWWQNUSA-N 1 0 277.433 3.333 50 0 CGAARO Cc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770858 369231359 /nfs/dbraw/zinc/23/13/59/369231359.db2.gz WPHYTKCSFCPBAF-GFCCVEGCSA-N 1 0 253.773 3.417 50 0 CGAARO CC(C)(C)n1cc(C[NH2+]CCc2c[nH]c3ccccc23)cn1 ZINC000042904541 369237996 /nfs/dbraw/zinc/23/79/96/369237996.db2.gz BFXDUZKTCXJMMQ-UHFFFAOYSA-N 1 0 296.418 3.452 50 0 CGAARO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000057862445 369548026 /nfs/dbraw/zinc/54/80/26/369548026.db2.gz VCZAULWGJJJZRE-KRWDZBQOSA-N 1 0 286.419 3.128 50 0 CGAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1)NC1CCCC1 ZINC000058141934 369555201 /nfs/dbraw/zinc/55/52/01/369555201.db2.gz OWIUDSIOGURADR-KRWDZBQOSA-N 1 0 286.419 3.272 50 0 CGAARO Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(C)CC2)C1 ZINC000058173552 369557146 /nfs/dbraw/zinc/55/71/46/369557146.db2.gz UXWNLJYVBKGFDB-INIZCTEOSA-N 1 0 286.419 3.000 50 0 CGAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2cccs2)CC1 ZINC000065288642 369668304 /nfs/dbraw/zinc/66/83/04/369668304.db2.gz QKIBFTBMDLMUGK-INIZCTEOSA-N 1 0 288.416 3.089 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000066972344 369708837 /nfs/dbraw/zinc/70/88/37/369708837.db2.gz BQRHIGWYYVPRJW-DOMZBBRYSA-N 1 0 288.416 3.467 50 0 CGAARO Cc1cnn(CCC[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000065417103 369674623 /nfs/dbraw/zinc/67/46/23/369674623.db2.gz DCCARDZZYSOYTK-MRXNPFEDSA-N 1 0 271.408 3.193 50 0 CGAARO CCOc1ccc(-c2c[nH]c(C3(C)CC[NH+](C)CC3)n2)cc1 ZINC000065429273 369676165 /nfs/dbraw/zinc/67/61/65/369676165.db2.gz IQPCZTPAIOHXEZ-UHFFFAOYSA-N 1 0 299.418 3.459 50 0 CGAARO CCCc1nc(C[NH2+]C2Cc3ccccc3C2)cs1 ZINC000065530508 369682871 /nfs/dbraw/zinc/68/28/71/369682871.db2.gz VBJILSINYVQTCR-UHFFFAOYSA-N 1 0 272.417 3.353 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000069704320 369767963 /nfs/dbraw/zinc/76/79/63/369767963.db2.gz WAPCJYMQXUBYGV-STQMWFEESA-N 1 0 261.344 3.070 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000069704324 369768500 /nfs/dbraw/zinc/76/85/00/369768500.db2.gz WAPCJYMQXUBYGV-QWHCGFSZSA-N 1 0 261.344 3.070 50 0 CGAARO CC[C@@H]1CN(Cc2c(C)cc(O)cc2C)CC[N@@H+]1C(C)C ZINC000072146907 369815314 /nfs/dbraw/zinc/81/53/14/369815314.db2.gz WLRDPWMIWKDRSU-MRXNPFEDSA-N 1 0 290.451 3.314 50 0 CGAARO CCn1cc(C[NH2+][C@H]2CCCO[C@@H]2c2ccc(C)cc2)cn1 ZINC000072746685 369837305 /nfs/dbraw/zinc/83/73/05/369837305.db2.gz TYVFBOLKDXOCLJ-ZWKOTPCHSA-N 1 0 299.418 3.221 50 0 CGAARO c1ccc(CC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000072801242 369839417 /nfs/dbraw/zinc/83/94/17/369839417.db2.gz KTLGSPYJQZAKQB-KRWDZBQOSA-N 1 0 259.393 3.120 50 0 CGAARO c1cc(-c2noc(C3C[NH+](Cc4ccccc4)C3)n2)cs1 ZINC000075156521 369896577 /nfs/dbraw/zinc/89/65/77/369896577.db2.gz VKGYWSIGWCIMEH-UHFFFAOYSA-N 1 0 297.383 3.398 50 0 CGAARO C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000076082725 369929214 /nfs/dbraw/zinc/92/92/14/369929214.db2.gz UYCROCRPUFDCFX-BBRMVZONSA-N 1 0 290.407 3.034 50 0 CGAARO COCCC[C@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000077439183 369945732 /nfs/dbraw/zinc/94/57/32/369945732.db2.gz SVGOWQNSDGGQBN-CQSZACIVSA-N 1 0 268.426 3.233 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(C)cc1OCC1CC1 ZINC000088745579 370036228 /nfs/dbraw/zinc/03/62/28/370036228.db2.gz BMLRXPUVCVRFNO-UHFFFAOYSA-N 1 0 285.391 3.105 50 0 CGAARO CCn1cc(C[NH2+]Cc2ccc(F)cc2CSC)cn1 ZINC000088751769 370036647 /nfs/dbraw/zinc/03/66/47/370036647.db2.gz QELHRHPSSPBDQD-UHFFFAOYSA-N 1 0 293.411 3.195 50 0 CGAARO Cc1nc(CC[NH2+]Cc2c(F)cccc2Cl)c(C)o1 ZINC000089548022 370043840 /nfs/dbraw/zinc/04/38/40/370043840.db2.gz GMBGAQHTHHBOTB-UHFFFAOYSA-N 1 0 282.746 3.416 50 0 CGAARO CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000089627209 370044545 /nfs/dbraw/zinc/04/45/45/370044545.db2.gz DCULVGCYZWFKCE-GFCCVEGCSA-N 1 0 296.436 3.408 50 0 CGAARO C[C@@H](C(=O)NCCCCC(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000089922762 370050190 /nfs/dbraw/zinc/05/01/90/370050190.db2.gz WVSNVCZQYJEMDG-TUAOUCFPSA-N 1 0 294.361 3.097 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000089895758 370050946 /nfs/dbraw/zinc/05/09/46/370050946.db2.gz HUHSPNAWPQXJHW-RDJZCZTQSA-N 1 0 283.419 3.371 50 0 CGAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000089959041 370051732 /nfs/dbraw/zinc/05/17/32/370051732.db2.gz XFENTWABLFPJPT-OAHLLOKOSA-N 1 0 299.374 3.155 50 0 CGAARO CCc1c(C)[nH+]c(N)nc1N[C@@H](c1ncccc1C)C1CC1 ZINC000095354180 370178001 /nfs/dbraw/zinc/17/80/01/370178001.db2.gz VIKPVSWEMSUXDO-OAHLLOKOSA-N 1 0 297.406 3.196 50 0 CGAARO Cc1ncsc1C[N@H+](C[C@H](O)c1ccccc1)C1CC1 ZINC000093533438 370139400 /nfs/dbraw/zinc/13/94/00/370139400.db2.gz KSRDIFZXMZDCML-HNNXBMFYSA-N 1 0 288.416 3.150 50 0 CGAARO C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000093840117 370165743 /nfs/dbraw/zinc/16/57/43/370165743.db2.gz XOZNSNNPSKKIEK-JTQLQIEISA-N 1 0 291.288 3.313 50 0 CGAARO CCOc1cccc(C[N@H+](C)Cc2cccnc2)c1 ZINC000097058636 370220824 /nfs/dbraw/zinc/22/08/24/370220824.db2.gz RNEXPICKKXYELQ-UHFFFAOYSA-N 1 0 256.349 3.112 50 0 CGAARO C[N@@H+](Cc1cnc(CC2CCCC2)[nH]1)CC1CCOCC1 ZINC000097099217 370224432 /nfs/dbraw/zinc/22/44/32/370224432.db2.gz LUCZCBJEVOOWBI-UHFFFAOYSA-N 1 0 291.439 3.001 50 0 CGAARO COc1ccccc1NC1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000097105588 370225932 /nfs/dbraw/zinc/22/59/32/370225932.db2.gz KADYQTPLYGQJOB-UHFFFAOYSA-N 1 0 285.391 3.100 50 0 CGAARO CNc1nc(C)cc(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000097522362 370245777 /nfs/dbraw/zinc/24/57/77/370245777.db2.gz AXTAASOWPDFRHL-GFCCVEGCSA-N 1 0 270.380 3.116 50 0 CGAARO c1coc(C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000095419190 370186577 /nfs/dbraw/zinc/18/65/77/370186577.db2.gz SGKWYIUCCSYVGP-HNNXBMFYSA-N 1 0 259.374 3.400 50 0 CGAARO CCc1ccc([C@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)o1 ZINC000095421128 370187797 /nfs/dbraw/zinc/18/77/97/370187797.db2.gz BACGQCABBWHIAE-ZDUSSCGKSA-N 1 0 296.374 3.274 50 0 CGAARO COc1cc(C)c(C[N@H+](Cc2cnn(C)c2)C2CC2)cc1C ZINC000097730109 370251413 /nfs/dbraw/zinc/25/14/13/370251413.db2.gz UEPRDTHYOFGCEH-UHFFFAOYSA-N 1 0 299.418 3.210 50 0 CGAARO CC(C)OCC[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000095431955 370192510 /nfs/dbraw/zinc/19/25/10/370192510.db2.gz WZPVKHFYNDLDJY-INIZCTEOSA-N 1 0 262.397 3.251 50 0 CGAARO C[N@H+](Cc1cccnc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000095432171 370192757 /nfs/dbraw/zinc/19/27/57/370192757.db2.gz OLAVBHPLVZTIMS-UHFFFAOYSA-N 1 0 299.393 3.322 50 0 CGAARO CCC[C@@H](C)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000095450146 370197000 /nfs/dbraw/zinc/19/70/00/370197000.db2.gz USIHUBCJHGWPLL-NVXWUHKLSA-N 1 0 288.435 3.376 50 0 CGAARO Cc1c(C(=O)N[C@H](C)c2ccccc2)ccc2c[nH+]cn21 ZINC000095465108 370197970 /nfs/dbraw/zinc/19/79/70/370197970.db2.gz PKTQSPIIUZBIDF-GFCCVEGCSA-N 1 0 279.343 3.134 50 0 CGAARO Cc1ccc2nc(C[N@@H+](C)C3CCCCCC3)cc(=O)n2c1 ZINC000014705162 541853584 /nfs/dbraw/zinc/85/35/84/541853584.db2.gz LSZXMUNMRYJIDQ-UHFFFAOYSA-N 1 0 299.418 3.158 50 0 CGAARO OC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136334504 371474939 /nfs/dbraw/zinc/47/49/39/371474939.db2.gz CUCKYXWHIJRFTG-MJHDQNEOSA-N 1 0 271.763 3.120 50 0 CGAARO CC(=O)c1c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cnn1C ZINC000426412836 372158312 /nfs/dbraw/zinc/15/83/12/372158312.db2.gz XQKQJMAXAVCQGC-ZDUSSCGKSA-N 1 0 297.402 3.447 50 0 CGAARO O=C1N(C2CC[NH2+]CC2)[C@H](c2ccccc2)C12CCCCC2 ZINC000169676542 372628682 /nfs/dbraw/zinc/62/86/82/372628682.db2.gz PUSPJJSIFTTWBH-QGZVFWFLSA-N 1 0 298.430 3.272 50 0 CGAARO CC[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)cc1 ZINC000170612252 372644037 /nfs/dbraw/zinc/64/40/37/372644037.db2.gz ZOLBTQGNAPSXBI-AWEZNQCLSA-N 1 0 267.344 3.020 50 0 CGAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(C2CCC2)o1 ZINC000075838230 541909727 /nfs/dbraw/zinc/90/97/27/541909727.db2.gz DSMDHPVUAWZQQN-XBFCOCLRSA-N 1 0 275.396 3.490 50 0 CGAARO CC(C)SCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000252492124 189977249 /nfs/dbraw/zinc/97/72/49/189977249.db2.gz MDJWSBIAZRSPQG-ZDUSSCGKSA-N 1 0 290.436 3.060 50 0 CGAARO C[C@@H](c1cccs1)[N@H+](C)CCn1cc(Cl)cn1 ZINC000459293290 374803269 /nfs/dbraw/zinc/80/32/69/374803269.db2.gz FJGRQIYTQZDPPP-JTQLQIEISA-N 1 0 269.801 3.291 50 0 CGAARO Cc1n[nH]cc1CN1CC=C(c2ccccc2F)CC1 ZINC000195566354 376113530 /nfs/dbraw/zinc/11/35/30/376113530.db2.gz ZAVRXBMHODPVBD-UHFFFAOYSA-N 1 0 271.339 3.147 50 0 CGAARO [NH3+][C@@H]1CC[C@@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)C1 ZINC000215310051 376146209 /nfs/dbraw/zinc/14/62/09/376146209.db2.gz YKZMQCUAGJAVMZ-IAGOWNOFSA-N 1 0 298.361 3.102 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000215194800 376146858 /nfs/dbraw/zinc/14/68/58/376146858.db2.gz IRUBIADEWKNUCS-KRWDZBQOSA-N 1 0 283.419 3.498 50 0 CGAARO OCCC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000216003571 376156754 /nfs/dbraw/zinc/15/67/54/376156754.db2.gz RWRAGRTWSLYURR-GFCCVEGCSA-N 1 0 285.790 3.464 50 0 CGAARO CC[N@H+](Cc1cc(C(C)=O)cn1C)[C@H]1CCOC(C)(C)C1 ZINC000216198859 376160836 /nfs/dbraw/zinc/16/08/36/376160836.db2.gz FQZJLTVZCHTIGT-HNNXBMFYSA-N 1 0 292.423 3.007 50 0 CGAARO Clc1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000225819359 376327617 /nfs/dbraw/zinc/32/76/17/376327617.db2.gz QPEBPWBGSTUUBZ-LLVKDONJSA-N 1 0 286.206 3.063 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CC[C@@H](C)O)o1 ZINC000225392925 376305665 /nfs/dbraw/zinc/30/56/65/376305665.db2.gz FZJBHGMZBLSGBI-LLVKDONJSA-N 1 0 277.339 3.255 50 0 CGAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]2CCO[C@H]21 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COC(=O)CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000252536466 377638331 /nfs/dbraw/zinc/63/83/31/377638331.db2.gz IQSOHEAANWUYKH-RDJZCZTQSA-N 1 0 289.419 3.455 50 0 CGAARO C[C@@H](c1nc(-c2cscn2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000278747918 194135781 /nfs/dbraw/zinc/13/57/81/194135781.db2.gz QWGXLZPBLVVKRZ-BBBLOLIVSA-N 1 0 278.381 3.127 50 0 CGAARO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nsc2ccccc21 ZINC000408525480 380015695 /nfs/dbraw/zinc/01/56/95/380015695.db2.gz GBAFUKMOJRSYLG-GHMZBOCLSA-N 1 0 276.405 3.030 50 0 CGAARO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nsc2ccccc21 ZINC000408525481 380016625 /nfs/dbraw/zinc/01/66/25/380016625.db2.gz GBAFUKMOJRSYLG-QWRGUYRKSA-N 1 0 276.405 3.030 50 0 CGAARO CC[C@@]1(C)C[C@@](CC[NH3+])(c2ccc(OC)cc2)CCO1 ZINC000000171740 169562820 /nfs/dbraw/zinc/56/28/20/169562820.db2.gz JSZSRSVBYOBTJA-IRXDYDNUSA-N 1 0 277.408 3.261 50 0 biogenic CGAARO COc1cc2c(cc1OC)C1(CCCC1)C[NH2+][C@H]2C ZINC000000197783 169571663 /nfs/dbraw/zinc/57/16/63/169571663.db2.gz 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CC(C)CC[NH2+]CC(=O)N(c1ccccc1)C(C)C ZINC000002649604 169818329 /nfs/dbraw/zinc/81/83/29/169818329.db2.gz JARYNAVFPMAHTF-UHFFFAOYSA-N 1 0 262.397 3.064 50 0 CGAARO CC[C@H](C)c1ccccc1OCCOCC[NH+](C)C ZINC000004913945 170040466 /nfs/dbraw/zinc/04/04/66/170040466.db2.gz BEERUAVVDSFUEP-AWEZNQCLSA-N 1 0 265.397 3.157 50 0 CGAARO C[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000005525661 170108545 /nfs/dbraw/zinc/10/85/45/170108545.db2.gz SYPUBBORRYKBCW-IAGOWNOFSA-N 1 0 265.356 3.215 50 0 CGAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C)CC1 ZINC000005575945 170115389 /nfs/dbraw/zinc/11/53/89/170115389.db2.gz QUOAXYFVCSIWGR-CYBMUJFWSA-N 1 0 270.376 3.471 50 0 CGAARO Cc1ccc(NC(=S)NCCC[NH2+]C(C)(C)C)cc1C ZINC000005689747 170129870 /nfs/dbraw/zinc/12/98/70/170129870.db2.gz JASTWBARQUXBFD-UHFFFAOYSA-N 1 0 293.480 3.368 50 0 CGAARO [NH3+][C@@H](CCc1ccccc1)c1ccc2c(c1)CCO2 ZINC000005773386 170139290 /nfs/dbraw/zinc/13/92/90/170139290.db2.gz UFMUSLYYKUVZEE-INIZCTEOSA-N 1 0 253.345 3.254 50 0 CGAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000005936994 170158573 /nfs/dbraw/zinc/15/85/73/170158573.db2.gz YUDQAURYDLVYOF-GOSISDBHSA-N 1 0 296.414 3.336 50 0 CGAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000006731781 170236097 /nfs/dbraw/zinc/23/60/97/170236097.db2.gz VLMXBZBWKHQTES-LLVKDONJSA-N 1 0 266.772 3.010 50 0 CGAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+](C)C ZINC000008663767 170344512 /nfs/dbraw/zinc/34/45/12/170344512.db2.gz GFWNVHFCYQSSIU-UHFFFAOYSA-N 1 0 295.180 3.073 50 0 CGAARO CC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008717266 170349178 /nfs/dbraw/zinc/34/91/78/170349178.db2.gz KFJUEHVDLZMWSZ-UHFFFAOYSA-N 1 0 284.359 3.047 50 0 CGAARO O=C(NC1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008777952 170355478 /nfs/dbraw/zinc/35/54/78/170355478.db2.gz WCHJREOLFDAHKE-UHFFFAOYSA-N 1 0 286.419 3.345 50 0 CGAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000009577644 170381878 /nfs/dbraw/zinc/38/18/78/170381878.db2.gz YFTFRSCEAOVZAS-UHFFFAOYSA-N 1 0 275.179 3.320 50 0 CGAARO CSc1cccc(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000009997134 170393495 /nfs/dbraw/zinc/39/34/95/170393495.db2.gz MLRMXHDSZBUODE-CHWSQXEVSA-N 1 0 292.448 3.325 50 0 CGAARO Cc1ccc2cc(C[NH2+]CC(C)C)c(N(C)C)nc2c1 ZINC000014955976 170649633 /nfs/dbraw/zinc/64/96/33/170649633.db2.gz QBVRWZISDQGKGX-UHFFFAOYSA-N 1 0 271.408 3.355 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2)cc1 ZINC000016663287 170708227 /nfs/dbraw/zinc/70/82/27/170708227.db2.gz UMWAIMIXDOXPSI-AWEZNQCLSA-N 1 0 285.387 3.425 50 0 CGAARO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000019410907 170789595 /nfs/dbraw/zinc/78/95/95/170789595.db2.gz JTMHLXDCGFPGFI-SNVBAGLBSA-N 1 0 273.163 3.074 50 0 CGAARO CC(C)(C)C1CCC([NH2+]Cc2nnc3ccccn32)CC1 ZINC000020185285 171048179 /nfs/dbraw/zinc/04/81/79/171048179.db2.gz IKLWDEMDVWWWIX-UHFFFAOYSA-N 1 0 286.423 3.424 50 0 CGAARO FC(F)(F)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000020593581 171262997 /nfs/dbraw/zinc/26/29/97/171262997.db2.gz GHXOVZZLXPMVCY-UHFFFAOYSA-N 1 0 273.298 3.474 50 0 CGAARO Clc1ccccc1[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022114665 171353045 /nfs/dbraw/zinc/35/30/45/171353045.db2.gz RLZPNIGECDMAJH-KRWDZBQOSA-N 1 0 286.806 3.335 50 0 CGAARO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022223954 171379498 /nfs/dbraw/zinc/37/94/98/171379498.db2.gz VEGGBICLAIXIHZ-UHFFFAOYSA-N 1 0 298.386 3.251 50 0 CGAARO CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000035581946 172278626 /nfs/dbraw/zinc/27/86/26/172278626.db2.gz NMAXXWGJCOZLSN-HNNXBMFYSA-N 1 0 262.303 3.449 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(C)CC1 ZINC000037248738 173061526 /nfs/dbraw/zinc/06/15/26/173061526.db2.gz NSFNKJKDMCIFLI-FVQBIDKESA-N 1 0 252.446 3.131 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N1CCCC1 ZINC000037975598 173930850 /nfs/dbraw/zinc/93/08/50/173930850.db2.gz ZXUIETDAYMWIIP-NWDGAFQWSA-N 1 0 280.799 3.002 50 0 CGAARO O=C(NCCC[NH+]1CCCCC1)c1cc(Cl)ccc1F ZINC000040025496 174183938 /nfs/dbraw/zinc/18/39/38/174183938.db2.gz RQGCCBHINGLMTQ-UHFFFAOYSA-N 1 0 298.789 3.085 50 0 CGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000040267900 174218558 /nfs/dbraw/zinc/21/85/58/174218558.db2.gz HVLYTAAZCAOVQH-NVXWUHKLSA-N 1 0 298.773 3.265 50 0 CGAARO c1ccc2sc(SC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000043471612 175053699 /nfs/dbraw/zinc/05/36/99/175053699.db2.gz BZEXKGAVSPYHLY-JTQLQIEISA-N 1 0 264.419 3.388 50 0 CGAARO C[C@@H](C1CC1)[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000044906974 175275087 /nfs/dbraw/zinc/27/50/87/175275087.db2.gz MXWGVXIQJPPJQX-VIFPVBQESA-N 1 0 263.366 3.028 50 0 CGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000046089449 175393180 /nfs/dbraw/zinc/39/31/80/175393180.db2.gz DNCMDEZRJNZDNC-HNNXBMFYSA-N 1 0 286.400 3.184 50 0 CGAARO c1nn(Cc2ccccc2)cc1C[NH2+]CCc1ccccc1 ZINC000061554812 175650163 /nfs/dbraw/zinc/65/01/63/175650163.db2.gz NDCNMDJCNUWPKW-UHFFFAOYSA-N 1 0 291.398 3.264 50 0 CGAARO CC[NH+](CC)[C@H](C)CNC(=O)c1sccc1C1CC1 ZINC000070009227 175866901 /nfs/dbraw/zinc/86/69/01/175866901.db2.gz QSILFEMHAPUWQP-LLVKDONJSA-N 1 0 280.437 3.086 50 0 CGAARO CC[C@@H]1CCCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400319 176152561 /nfs/dbraw/zinc/15/25/61/176152561.db2.gz BAJXPQMNZZLFGI-HZPDHXFCSA-N 1 0 274.408 3.258 50 0 CGAARO Cc1ccc(-c2nc(CC[NH2+]Cc3ccncc3)co2)cc1 ZINC000071857535 176278414 /nfs/dbraw/zinc/27/84/14/176278414.db2.gz XBRFLIQDIILWRO-UHFFFAOYSA-N 1 0 293.370 3.377 50 0 CGAARO CCOCC[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000072137258 176322881 /nfs/dbraw/zinc/32/28/81/176322881.db2.gz MASMKHSAPMVZOE-HNNXBMFYSA-N 1 0 251.345 3.389 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cc1 ZINC000072242443 176349254 /nfs/dbraw/zinc/34/92/54/176349254.db2.gz MMLKIWZOGAHYJG-SFHVURJKSA-N 1 0 292.386 3.118 50 0 CGAARO Cc1cnc(Nc2cccc([C@H]3CCC[NH2+]3)n2)s1 ZINC000072376501 176384949 /nfs/dbraw/zinc/38/49/49/176384949.db2.gz JUJNRFMHSVIWJF-SNVBAGLBSA-N 1 0 260.366 3.015 50 0 CGAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000077453088 177270337 /nfs/dbraw/zinc/27/03/37/177270337.db2.gz GUSHDGIGDWDXQM-QGZVFWFLSA-N 1 0 284.407 3.031 50 0 CGAARO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000084148692 416495568 /nfs/dbraw/zinc/49/55/68/416495568.db2.gz HOYOIRFBMXNQLZ-KDOFPFPSSA-N 1 0 285.387 3.388 50 0 CGAARO Cc1noc(C)c1C[N@H+]1C[C@H]2[C@@H](CCN2c2ccccc2)C1 ZINC000685945171 544110763 /nfs/dbraw/zinc/11/07/63/544110763.db2.gz LMTGWBHEPMICMK-YJBOKZPZSA-N 1 0 297.402 3.002 50 0 CGAARO Cc1ncccc1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000657798630 419357951 /nfs/dbraw/zinc/35/79/51/419357951.db2.gz PXRYUTUMDCHHKS-UHFFFAOYSA-N 1 0 292.285 3.001 50 0 CGAARO Cc1n(C)c2cc(Cl)ccc2[n+]1-c1ccccc1 ZINC000000281271 274833501 /nfs/dbraw/zinc/83/35/01/274833501.db2.gz FYKUDTAPMOVQMD-UHFFFAOYSA-N 1 0 257.744 3.417 50 0 CGAARO FC(F)(F)C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019958090 274906025 /nfs/dbraw/zinc/90/60/25/274906025.db2.gz MSBSOKRUKVOFIK-LLVKDONJSA-N 1 0 254.255 3.307 50 0 CGAARO c1ccc(-c2nc3ccccc3n2C2CC[NH2+]CC2)nc1 ZINC000057801109 275066419 /nfs/dbraw/zinc/06/64/19/275066419.db2.gz HTCBYSACEQRCDN-UHFFFAOYSA-N 1 0 278.359 3.023 50 0 CGAARO CC1(C)C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000087006498 275853315 /nfs/dbraw/zinc/85/33/15/275853315.db2.gz BPWDLTKPJDXTPN-NSHDSACASA-N 1 0 259.271 3.145 50 0 CGAARO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000020601721 275997070 /nfs/dbraw/zinc/99/70/70/275997070.db2.gz ATMBCSVZLRKMLJ-HNNXBMFYSA-N 1 0 291.439 3.456 50 0 CGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000016662848 276319256 /nfs/dbraw/zinc/31/92/56/276319256.db2.gz ZMKYMXIBXXOKJB-MRXNPFEDSA-N 1 0 280.456 3.147 50 0 CGAARO CC(=O)Nc1ccc(C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000014160355 277071318 /nfs/dbraw/zinc/07/13/18/277071318.db2.gz NHLNBRKWLHGGOE-ZDUSSCGKSA-N 1 0 288.391 3.092 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000067982080 277459512 /nfs/dbraw/zinc/45/95/12/277459512.db2.gz KFHOIRSEBOYTIH-ZDUSSCGKSA-N 1 0 289.423 3.473 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccc(C)cc2)cc1 ZINC000002573284 277887241 /nfs/dbraw/zinc/88/72/41/277887241.db2.gz PRQXXDYBYUKDEV-UHFFFAOYSA-N 1 0 255.361 3.336 50 0 CGAARO COc1ccc2c(c1)CC[NH2+][C@@H]2Cc1ccccc1 ZINC000019625727 277956256 /nfs/dbraw/zinc/95/62/56/277956256.db2.gz NGZKDMVOMUBGNV-QGZVFWFLSA-N 1 0 253.345 3.125 50 0 CGAARO C[C@@H]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909382 278500451 /nfs/dbraw/zinc/50/04/51/278500451.db2.gz WKPOSZGQMCFYAJ-CHWSQXEVSA-N 1 0 295.471 3.174 50 0 CGAARO C[C@@H]1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@]2(C)CC[C@@H]1O ZINC000004110402 279127626 /nfs/dbraw/zinc/12/76/26/279127626.db2.gz WOBWPNVQJOHAFG-BGTYHANMSA-N 1 0 273.420 3.306 50 0 CGAARO Cc1c(-c2ccco2)[n+](=O)c(-c2ccccc2)c(C)n1O ZINC000103708869 280195804 /nfs/dbraw/zinc/19/58/04/280195804.db2.gz HZNQZMLYVSIAOB-UHFFFAOYSA-N 1 0 283.307 3.184 50 0 CGAARO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1O ZINC000095972496 280904389 /nfs/dbraw/zinc/90/43/89/280904389.db2.gz QLSWBYHDANQBJF-CQSZACIVSA-N 1 0 290.407 3.212 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2 ZINC000095976391 304857451 /nfs/dbraw/zinc/85/74/51/304857451.db2.gz XZOVXEARMQFIAA-FJIDUMEYSA-N 1 0 283.415 3.091 50 0 CGAARO Clc1ccccc1C1([NH2+][C@@H]2CCCOC2)CC1 ZINC000534587710 328316068 /nfs/dbraw/zinc/31/60/68/328316068.db2.gz NVDKEJARCKZRLN-LLVKDONJSA-N 1 0 251.757 3.098 50 0 CGAARO C[C@H](c1cccc(-c2ccnc(CO)c2)c1)[NH+]1CCCC1 ZINC000534647821 328342908 /nfs/dbraw/zinc/34/29/08/328342908.db2.gz HUFWMXSJKHVMEW-CQSZACIVSA-N 1 0 282.387 3.398 50 0 CGAARO Fc1ccc(-c2cc(C[NH2+][C@@H]3CCCSC3)on2)cc1 ZINC000534661400 328349580 /nfs/dbraw/zinc/34/95/80/328349580.db2.gz KSLUUMNBJTVTQA-CYBMUJFWSA-N 1 0 292.379 3.466 50 0 CGAARO Fc1ccc(OCCCC[NH2+]Cc2ccco2)cc1 ZINC000002288764 326796872 /nfs/dbraw/zinc/79/68/72/326796872.db2.gz GHHWREQDTDKXCF-UHFFFAOYSA-N 1 0 263.312 3.368 50 0 CGAARO Cn1nccc1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000097371253 329527216 /nfs/dbraw/zinc/52/72/16/329527216.db2.gz BSDFQFUBWFRLSO-HOTGVXAUSA-N 1 0 269.392 3.092 50 0 CGAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000012305903 526396425 /nfs/dbraw/zinc/39/64/25/526396425.db2.gz HZDCENKMVQMGIV-KRWDZBQOSA-N 1 0 285.366 3.297 50 0 CGAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cccs2)C1 ZINC000096502330 526413969 /nfs/dbraw/zinc/41/39/69/526413969.db2.gz ZGRXJEZEORCTMV-LBPRGKRZSA-N 1 0 296.436 3.095 50 0 CGAARO OC1(C[NH2+]Cc2csc3ccccc23)CCCC1 ZINC000096479222 527510810 /nfs/dbraw/zinc/51/08/10/527510810.db2.gz IHUAOCJXJGXBEF-UHFFFAOYSA-N 1 0 261.390 3.296 50 0 CGAARO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000170601616 527970580 /nfs/dbraw/zinc/97/05/80/527970580.db2.gz LDHXRXKGOUSNLR-HUUCEWRRSA-N 1 0 294.439 3.212 50 0 CGAARO Cc1ncsc1C[NH2+]CCCNc1ccccc1 ZINC000083470472 566861874 /nfs/dbraw/zinc/86/18/74/566861874.db2.gz GWDMCAXJSOHYIR-UHFFFAOYSA-N 1 0 261.394 3.043 50 0 CGAARO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000252500015 567061073 /nfs/dbraw/zinc/06/10/73/567061073.db2.gz SLYXSMNUCMVICU-INIZCTEOSA-N 1 0 288.435 3.059 50 0 CGAARO CN(CC[N@H+](C)C1CCCC1)Cc1cccc2cc[nH]c21 ZINC000952985243 616084151 /nfs/dbraw/zinc/08/41/51/616084151.db2.gz UKNOQUQTHKXTMY-UHFFFAOYSA-N 1 0 285.435 3.474 50 0 CGAARO CCN(CC[NH2+][C@@H]1CCCc2c(OC)cccc21)C1CC1 ZINC000194878429 619143805 /nfs/dbraw/zinc/14/38/05/619143805.db2.gz LCFQFFJOPBMPNE-QGZVFWFLSA-N 1 0 288.435 3.147 50 0 CGAARO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CC12CC2 ZINC000888095928 619259691 /nfs/dbraw/zinc/25/96/91/619259691.db2.gz FJKGOEOVPPVXSO-YPMHNXCESA-N 1 0 269.348 3.015 50 0 CGAARO CC[C@H]1CCCCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000150740509 622668605 /nfs/dbraw/zinc/66/86/05/622668605.db2.gz UUQPIEGETDFCPB-HNNXBMFYSA-N 1 0 299.418 3.051 50 0 CGAARO CCOC1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000091677481 640717889 /nfs/dbraw/zinc/71/78/89/640717889.db2.gz MGQIOJAGOSKWCO-UHFFFAOYSA-N 1 0 289.419 3.401 50 0 CGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccncc1F ZINC000078084076 798928800 /nfs/dbraw/zinc/92/88/00/798928800.db2.gz NCNIBHYHJXCNAR-UHFFFAOYSA-N 1 0 299.349 3.069 50 0 CGAARO CC(C)NC(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000581787941 799674402 /nfs/dbraw/zinc/67/44/02/799674402.db2.gz KUXJTWHDTCBWEF-INIZCTEOSA-N 1 0 295.471 3.081 50 0 CGAARO CC(C)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)CC1 ZINC000581788009 799674716 /nfs/dbraw/zinc/67/47/16/799674716.db2.gz OFLSJKXDDLCLSU-INIZCTEOSA-N 1 0 280.456 3.003 50 0 CGAARO CC(C)C[N@@H+]1CC[C@H](Cc2nnc(-c3ccccc3)o2)C1 ZINC000675018109 799730911 /nfs/dbraw/zinc/73/09/11/799730911.db2.gz LZVFSSPZMKLNAQ-CQSZACIVSA-N 1 0 285.391 3.257 50 0 CGAARO Cc1cnccc1-c1ccc2c(c1)C1(CC1)C[NH2+]C2 ZINC000952850563 800685041 /nfs/dbraw/zinc/68/50/41/800685041.db2.gz YXYNIBQVILVMLS-UHFFFAOYSA-N 1 0 250.345 3.192 50 0 CGAARO CC(C)[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccnc2)c2ccccc21 ZINC000952879478 800686231 /nfs/dbraw/zinc/68/62/31/800686231.db2.gz ITYDTUAFQNACFK-MAUKXSAKSA-N 1 0 295.386 3.018 50 0 CGAARO COc1cc(C[C@@H](C)[NH2+]CCc2ccccc2)ccc1O ZINC000023280940 926834514 /nfs/dbraw/zinc/83/45/14/926834514.db2.gz JFCHBNLEUBXAEA-CQSZACIVSA-N 1 0 285.387 3.164 50 0 CGAARO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc2ccccc12 ZINC000315102075 932030140 /nfs/dbraw/zinc/03/01/40/932030140.db2.gz MLSUZTBZYOVRHH-AWEZNQCLSA-N 1 0 281.403 3.439 50 0 CGAARO Cc1ccccc1[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001506397518 937989592 /nfs/dbraw/zinc/98/95/92/937989592.db2.gz NZLFQYCFYQCMJY-HNNXBMFYSA-N 1 0 269.392 3.108 50 0 CGAARO Cn1ccnc1CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001506405463 937989604 /nfs/dbraw/zinc/98/96/04/937989604.db2.gz MKHQBPNONKDLID-UHFFFAOYSA-N 1 0 297.324 3.113 50 0 CGAARO COCCC[N@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC001529195254 938071543 /nfs/dbraw/zinc/07/15/43/938071543.db2.gz HKISUNIPFBUVRC-KRWDZBQOSA-N 1 0 261.409 3.323 50 0 CGAARO CSC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968196 185046727 /nfs/dbraw/zinc/04/67/27/185046727.db2.gz AVEFFXMGLNOKQZ-QWHCGFSZSA-N 1 0 292.448 3.216 50 0 CGAARO Cc1csc([C@@H]([NH2+]C2CCSCC2)C2CC2)n1 ZINC000095968558 185047502 /nfs/dbraw/zinc/04/75/02/185047502.db2.gz DERYNLOZQNQLMW-LBPRGKRZSA-N 1 0 268.451 3.388 50 0 CGAARO C[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000002845052 529979314 /nfs/dbraw/zinc/97/93/14/529979314.db2.gz SLPOWUASUVDTSL-UHFFFAOYSA-N 1 0 278.577 3.009 50 0 CGAARO C[C@H](CC(=O)Nc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000000394455 344855100 /nfs/dbraw/zinc/85/51/00/344855100.db2.gz ZJMPXXSPWMRTMS-ZIAGYGMSSA-N 1 0 260.381 3.278 50 0 CGAARO C[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000003683223 344859705 /nfs/dbraw/zinc/85/97/05/344859705.db2.gz RUYRAUWKVSWJFK-BNEJOLLZSA-N 1 0 267.372 3.459 50 0 CGAARO CC(C)([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000033998020 344937338 /nfs/dbraw/zinc/93/73/38/344937338.db2.gz GRKYRJREJPZXIU-UHFFFAOYSA-N 1 0 277.799 3.452 50 0 CGAARO Cc1cnn(-c2cc[nH+]cc2N[C@@H](C)c2ccco2)c1 ZINC000097038778 185510343 /nfs/dbraw/zinc/51/03/43/185510343.db2.gz NZSPDMGBKZMBRP-LBPRGKRZSA-N 1 0 268.320 3.342 50 0 CGAARO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C)c(F)c1 ZINC000075107642 345495614 /nfs/dbraw/zinc/49/56/14/345495614.db2.gz MLFJFBXZYLFJST-ZDUSSCGKSA-N 1 0 293.386 3.130 50 0 CGAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2sccc2C)C1 ZINC000079020725 345627975 /nfs/dbraw/zinc/62/79/75/345627975.db2.gz PXHIJGJIGSDJGA-LXIYXOSZSA-N 1 0 285.478 3.226 50 0 CGAARO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090847432 345796044 /nfs/dbraw/zinc/79/60/44/345796044.db2.gz DXXPTCUXRWWWOT-ZDUSSCGKSA-N 1 0 284.359 3.012 50 0 CGAARO CCOC(=O)[C@]1(c2ccccc2)CCC=C(C)[C@@H]1[NH+](C)C ZINC000096028031 345901679 /nfs/dbraw/zinc/90/16/79/345901679.db2.gz ACMGZYOBXCPVDH-WMZOPIPTSA-N 1 0 287.403 3.158 50 0 CGAARO Cc1ccoc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000097102542 345906969 /nfs/dbraw/zinc/90/69/69/345906969.db2.gz CQRYMUYCMUOVOT-DZGCQCFKSA-N 1 0 259.349 3.362 50 0 CGAARO Cc1cccc(C2CC([NH2+][C@@H](C)CO[C@@H]3CCOC3)C2)c1 ZINC000097373018 345907773 /nfs/dbraw/zinc/90/77/73/345907773.db2.gz YGTRKBCDLSPICM-IWCVFHTOSA-N 1 0 289.419 3.025 50 0 CGAARO CC(C)Oc1cc(Br)ccc1[C@H](C)[NH3+] ZINC000132046378 346069238 /nfs/dbraw/zinc/06/92/38/346069238.db2.gz DSXPLGRXWGQXCN-QMMMGPOBSA-N 1 0 258.159 3.256 50 0 CGAARO CC(C)c1c(-c2ccccc2)[n+](=O)c2c(n1O)CCCC2 ZINC000136936447 346092366 /nfs/dbraw/zinc/09/23/66/346092366.db2.gz NUQHHGXCARAHHC-UHFFFAOYSA-N 1 0 285.367 3.309 50 0 CGAARO CC[C@@](C)(NC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000155543853 346154157 /nfs/dbraw/zinc/15/41/57/346154157.db2.gz ZQMFVTPSQLXFNJ-GOSISDBHSA-N 1 0 288.435 3.208 50 0 CGAARO CCc1nc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cs1 ZINC000155789263 346155073 /nfs/dbraw/zinc/15/50/73/346155073.db2.gz JYOUPCVYUAPVDL-NSHDSACASA-N 1 0 296.436 3.042 50 0 CGAARO O=C1CCCN1CCC[NH2+][C@@H]1CCCCC12CCCCC2 ZINC000170079233 346193397 /nfs/dbraw/zinc/19/33/97/346193397.db2.gz OKJXYVXUAPJGSN-MRXNPFEDSA-N 1 0 292.467 3.482 50 0 CGAARO CCCCCCOc1ccc(C[N@H+](C)C[C@@H](C)O)cc1 ZINC000170595400 346194372 /nfs/dbraw/zinc/19/43/72/346194372.db2.gz SJGWTLZIWUDPRC-OAHLLOKOSA-N 1 0 279.424 3.458 50 0 CGAARO C[C@@H](C[N@H+](C)C1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000170603038 346195076 /nfs/dbraw/zinc/19/50/76/346195076.db2.gz XXXIFMWHXAEAGL-UUZUZFRQSA-N 1 0 299.867 3.286 50 0 CGAARO CC1CCC(CN(C)C(=O)CCCCCC[NH3+])CC1 ZINC000170677832 346197083 /nfs/dbraw/zinc/19/70/83/346197083.db2.gz RHDLSGQFICDPKU-UHFFFAOYSA-N 1 0 268.445 3.180 50 0 CGAARO C[C@H]1CC([NH2+]CCCc2cccs2)C[C@H](C)O1 ZINC000195550814 346272782 /nfs/dbraw/zinc/27/27/82/346272782.db2.gz NTIKGSGITKFPBN-RYUDHWBXSA-N 1 0 253.411 3.226 50 0 CGAARO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)o1 ZINC000195575980 346274644 /nfs/dbraw/zinc/27/46/44/346274644.db2.gz RNFKDQHNZDGJQW-MRXNPFEDSA-N 1 0 287.359 3.469 50 0 CGAARO CC(C)[C@@H](CNc1ccc2cccc(Cl)c2n1)[NH+](C)C ZINC000534661264 346648997 /nfs/dbraw/zinc/64/89/97/346648997.db2.gz FEROKSNVLIHMSU-CQSZACIVSA-N 1 0 291.826 3.308 50 0 CGAARO [NH3+]CCOc1ccccc1CCc1ccc(Cl)cc1 ZINC000601008705 347852290 /nfs/dbraw/zinc/85/22/90/347852290.db2.gz WRDNNYDDUNHVNY-UHFFFAOYSA-N 1 0 275.779 3.463 50 0 CGAARO CC[C@@]1(CO)CCC[N@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000091635900 180211336 /nfs/dbraw/zinc/21/13/36/180211336.db2.gz WGRBGSXNXDQCGJ-MJICGBHWSA-N 1 0 289.419 3.193 50 0 CGAARO O[C@@H]1CC[N@H+](Cc2ccsc2)[C@@H](c2ccccc2)C1 ZINC000636440463 351761958 /nfs/dbraw/zinc/76/19/58/351761958.db2.gz FQRWPENVTWUZJJ-HZPDHXFCSA-N 1 0 273.401 3.446 50 0 CGAARO Fc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCSC1 ZINC000096499650 283022259 /nfs/dbraw/zinc/02/22/59/283022259.db2.gz BFIXMAVNIGKKRQ-MFKMUULPSA-N 1 0 267.369 3.135 50 0 CGAARO CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000225462868 189752666 /nfs/dbraw/zinc/75/26/66/189752666.db2.gz CYWIIDSXQUVSQH-OAHLLOKOSA-N 1 0 274.408 3.186 50 0 CGAARO Brc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000000360341 368348381 /nfs/dbraw/zinc/34/83/81/368348381.db2.gz XZLSDBMGZIVDIJ-UHFFFAOYSA-N 1 0 277.165 3.134 50 0 CGAARO [NH3+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572828 368388600 /nfs/dbraw/zinc/38/86/00/368388600.db2.gz CUGXLVXNFZFUFF-ZDUSSCGKSA-N 1 0 262.150 3.497 50 0 CGAARO CC[NH+](CC)CCOC(=O)Nc1ccc(Cl)cc1 ZINC000001671720 368428517 /nfs/dbraw/zinc/42/85/17/368428517.db2.gz IGIPWMWSHSBHGY-UHFFFAOYSA-N 1 0 270.760 3.230 50 0 CGAARO Cc1ccc2c(C[NH+]3CCC(C)CC3)cc(=O)oc2c1 ZINC000002345999 368451699 /nfs/dbraw/zinc/45/16/99/368451699.db2.gz CMOHSEXHYOLACH-UHFFFAOYSA-N 1 0 271.360 3.333 50 0 biogenic CGAARO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000002760532 368476683 /nfs/dbraw/zinc/47/66/83/368476683.db2.gz WZBBNPIIUJKNPD-UHFFFAOYSA-N 1 0 286.350 3.286 50 0 CGAARO CC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003323348 368501436 /nfs/dbraw/zinc/50/14/36/368501436.db2.gz LDZFIEJVHXFMQN-ZFWWWQNUSA-N 1 0 279.424 3.112 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000002783422 368478699 /nfs/dbraw/zinc/47/86/99/368478699.db2.gz ICIIBICAIVAEDM-UHFFFAOYSA-N 1 0 268.788 3.401 50 0 CGAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004173912 368535168 /nfs/dbraw/zinc/53/51/68/368535168.db2.gz GBBKLVNISBEAMH-YESZJQIVSA-N 1 0 291.435 3.306 50 0 CGAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2)CCCCC1 ZINC000003434441 368507146 /nfs/dbraw/zinc/50/71/46/368507146.db2.gz VMYLSHYYGIWTJW-UHFFFAOYSA-N 1 0 275.396 3.073 50 0 CGAARO COc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1 ZINC000003423941 368507491 /nfs/dbraw/zinc/50/74/91/368507491.db2.gz XHWZLEVFEBMEDG-GFCCVEGCSA-N 1 0 261.390 3.478 50 0 CGAARO Cc1ccc(-c2cccc(CN3CCC[N@@H+](C)CC3)c2)o1 ZINC000219035253 376192776 /nfs/dbraw/zinc/19/27/76/376192776.db2.gz WAYSURYZIOENQA-UHFFFAOYSA-N 1 0 284.403 3.393 50 0 CGAARO C[C@H](C[N@H+](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000003680954 368518243 /nfs/dbraw/zinc/51/82/43/368518243.db2.gz ZKISNMZYDPWJGZ-QAPCUYQASA-N 1 0 269.388 3.456 50 0 CGAARO Brc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2c1 ZINC000003883734 368521678 /nfs/dbraw/zinc/52/16/78/368521678.db2.gz FCKKUEPMSPRIAO-UHFFFAOYSA-N 1 0 277.165 3.307 50 0 CGAARO C[C@H]1Cc2ccccc2N1C(=O)CC[NH+]1CCC(C)CC1 ZINC000004594310 368551968 /nfs/dbraw/zinc/55/19/68/368551968.db2.gz MSPCZHXVHYTWGB-HNNXBMFYSA-N 1 0 286.419 3.086 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2cccnc2)cc1OCC ZINC000004413462 368546197 /nfs/dbraw/zinc/54/61/97/368546197.db2.gz ZYHYPEFAWKBVOD-UHFFFAOYSA-N 1 0 286.375 3.169 50 0 CGAARO Cc1ccc(C(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000004552915 368550919 /nfs/dbraw/zinc/55/09/19/368550919.db2.gz ZEFKAOCINHDRSC-CQSZACIVSA-N 1 0 261.365 3.026 50 0 CGAARO CCOc1ccccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811490 368571627 /nfs/dbraw/zinc/57/16/27/368571627.db2.gz NSQWGLQKLBHFHZ-ZIAGYGMSSA-N 1 0 290.407 3.002 50 0 CGAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCCCC2)c1C ZINC000012413627 368612756 /nfs/dbraw/zinc/61/27/56/368612756.db2.gz IPGIENPENISPKX-UHFFFAOYSA-N 1 0 278.396 3.231 50 0 CGAARO Cc1cc(C)cc(C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012442766 368613188 /nfs/dbraw/zinc/61/31/88/368613188.db2.gz QDNKHHCXLWPSSR-UHFFFAOYSA-N 1 0 288.435 3.154 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000013613585 368659018 /nfs/dbraw/zinc/65/90/18/368659018.db2.gz IAUWCJDMNBWOOL-MRXNPFEDSA-N 1 0 292.398 3.210 50 0 CGAARO CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016607024 368717471 /nfs/dbraw/zinc/71/74/71/368717471.db2.gz DAMAYBOSKGTSJW-UHFFFAOYSA-N 1 0 294.826 3.078 50 0 CGAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)cc(C)c1Cl ZINC000014631242 368682297 /nfs/dbraw/zinc/68/22/97/368682297.db2.gz DPVFPTSVZDUJOZ-LBPRGKRZSA-N 1 0 253.773 3.335 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1ccc(SC)cc1 ZINC000019637346 368760597 /nfs/dbraw/zinc/76/05/97/368760597.db2.gz UTWXPPLKZJVRBT-UHFFFAOYSA-N 1 0 266.454 3.182 50 0 CGAARO CC[C@H](C)[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019359199 368749640 /nfs/dbraw/zinc/74/96/40/368749640.db2.gz WHJLBEVOVNXEKK-AWEZNQCLSA-N 1 0 271.408 3.084 50 0 CGAARO Clc1ccccc1N1CCN(C[C@H]2CCCCO2)CC1 ZINC000020538915 368808850 /nfs/dbraw/zinc/80/88/50/368808850.db2.gz CZJBWSNIYXTZRG-CQSZACIVSA-N 1 0 294.826 3.031 50 0 CGAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000023115160 368817290 /nfs/dbraw/zinc/81/72/90/368817290.db2.gz ZDSGTQBVMSPHSS-AWEZNQCLSA-N 1 0 253.773 3.077 50 0 CGAARO CCOc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1OC ZINC000023281442 368820570 /nfs/dbraw/zinc/82/05/70/368820570.db2.gz GWTMSMICFDELKP-ZDUSSCGKSA-N 1 0 263.381 3.326 50 0 CGAARO CC[NH+](CC)CCNc1nc2c(s1)c(C)ccc2OC ZINC000026424053 368858508 /nfs/dbraw/zinc/85/85/08/368858508.db2.gz ZBZBWQHJAKTNEI-UHFFFAOYSA-N 1 0 293.436 3.367 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)C(C)C)[NH+]2CCCCC2)cc1 ZINC000027663892 368873806 /nfs/dbraw/zinc/87/38/06/368873806.db2.gz WZQBFASNORRZLI-QGZVFWFLSA-N 1 0 288.435 3.294 50 0 CGAARO C[NH+](C)C1(CNc2ncnc3ccsc32)CCCCC1 ZINC000028624677 368887712 /nfs/dbraw/zinc/88/77/12/368887712.db2.gz MZYYEOINEIQNIG-UHFFFAOYSA-N 1 0 290.436 3.368 50 0 CGAARO CC1(C)CC(NC(=O)Nc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000025682404 368850724 /nfs/dbraw/zinc/85/07/24/368850724.db2.gz FAWQUPZZEAAPES-UHFFFAOYSA-N 1 0 293.386 3.256 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCCCC2)c(C)c1 ZINC000032150594 368927996 /nfs/dbraw/zinc/92/79/96/368927996.db2.gz BBNPKSTYDVSKHD-KRWDZBQOSA-N 1 0 291.435 3.356 50 0 CGAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036100582 369008748 /nfs/dbraw/zinc/00/87/48/369008748.db2.gz OCKLQGYXCPVBEL-GOSISDBHSA-N 1 0 293.451 3.241 50 0 CGAARO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000036168102 369012676 /nfs/dbraw/zinc/01/26/76/369012676.db2.gz ZYQIREPHLRKKNT-MRXNPFEDSA-N 1 0 281.355 3.235 50 0 CGAARO C[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000036872145 369034688 /nfs/dbraw/zinc/03/46/88/369034688.db2.gz UWHMJSSTNHZKQC-LURJTMIESA-N 1 0 256.136 3.403 50 0 CGAARO Fc1ccc([C@@H]([NH2+]C[C@H]2CCCCO2)C2CC2)cc1 ZINC000042817201 369234488 /nfs/dbraw/zinc/23/44/88/369234488.db2.gz OOXWLFPYKSAAJW-CVEARBPZSA-N 1 0 263.356 3.436 50 0 CGAARO FC(F)(F)c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772785 369231353 /nfs/dbraw/zinc/23/13/53/369231353.db2.gz XVJMPLFEKJGTSE-NSHDSACASA-N 1 0 273.298 3.474 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]Cc2sccc2C)cc1 ZINC000048362810 369344146 /nfs/dbraw/zinc/34/41/46/369344146.db2.gz TWGWHWLIFIWBCB-UHFFFAOYSA-N 1 0 274.389 3.305 50 0 CGAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000048520237 369357012 /nfs/dbraw/zinc/35/70/12/369357012.db2.gz VDBYGLZVHCYJIE-UHFFFAOYSA-N 1 0 272.348 3.308 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000053385730 369483666 /nfs/dbraw/zinc/48/36/66/369483666.db2.gz ADKLAILQTBHSBI-ROUUACIJSA-N 1 0 272.436 3.431 50 0 CGAARO CC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057326782 369534416 /nfs/dbraw/zinc/53/44/16/369534416.db2.gz LCEZGHROMIBJDU-ZDUSSCGKSA-N 1 0 296.370 3.179 50 0 CGAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc2c(c1)CCO2 ZINC000055167094 369512097 /nfs/dbraw/zinc/51/20/97/369512097.db2.gz SUQLJUCNSSNSBP-UHFFFAOYSA-N 1 0 299.418 3.013 50 0 CGAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cccc(O)c1 ZINC000055253438 369512954 /nfs/dbraw/zinc/51/29/54/369512954.db2.gz RNVHZOYVEQXQLG-UHFFFAOYSA-N 1 0 285.387 3.349 50 0 CGAARO Cc1cc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)[nH]n1 ZINC000055271521 369513174 /nfs/dbraw/zinc/51/31/74/369513174.db2.gz KRZILARWKSRIQU-ZDUSSCGKSA-N 1 0 261.369 3.358 50 0 CGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2nccs2)s1 ZINC000055359603 369515048 /nfs/dbraw/zinc/51/50/48/369515048.db2.gz SQUJFKVYGWZNOZ-UHFFFAOYSA-N 1 0 295.477 3.077 50 0 CGAARO C[C@H](CO)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000055413697 369516867 /nfs/dbraw/zinc/51/68/67/369516867.db2.gz WDJQTFKZTVJSEC-KRWDZBQOSA-N 1 0 283.415 3.360 50 0 CGAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(-n2ccnc2)cc1 ZINC000058280736 369561404 /nfs/dbraw/zinc/56/14/04/369561404.db2.gz PAZPKJIKIKVPPM-AWEZNQCLSA-N 1 0 293.370 3.429 50 0 CGAARO C[C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000058337351 369565093 /nfs/dbraw/zinc/56/50/93/369565093.db2.gz JXKSRWUJRCORMI-AWEZNQCLSA-N 1 0 285.391 3.401 50 0 CGAARO Clc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000065372721 369669626 /nfs/dbraw/zinc/66/96/26/369669626.db2.gz JNLKKOQNPSADFI-HNNXBMFYSA-N 1 0 289.810 3.449 50 0 CGAARO O[C@@H]1c2ccccc2O[C@@]2([NH+]3CCCC3)CCCC[C@@H]12 ZINC000063907055 369649679 /nfs/dbraw/zinc/64/96/79/369649679.db2.gz JLHMLQKTHCZJSS-UAGQMJEPSA-N 1 0 273.376 3.095 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCN[C@@]23CCC[C@H](C)C3)cc1 ZINC000064459867 369653523 /nfs/dbraw/zinc/65/35/23/369653523.db2.gz FRWYTSJFCDSONF-QFBILLFUSA-N 1 0 299.462 3.425 50 0 biogenic CGAARO COc1ccc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)c(C)c1 ZINC000067459374 369717512 /nfs/dbraw/zinc/71/75/12/369717512.db2.gz HPAVDRJMOFVIIZ-OAHLLOKOSA-N 1 0 283.371 3.241 50 0 CGAARO CCC(CC)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000065393884 369672778 /nfs/dbraw/zinc/67/27/78/369672778.db2.gz ZXMQWJIJIPYYSB-UHFFFAOYSA-N 1 0 287.407 3.386 50 0 CGAARO C[C@H](c1cccc(-c2ccccc2C(N)=O)c1)[NH+](C)C ZINC000065462965 369677770 /nfs/dbraw/zinc/67/77/70/369677770.db2.gz WBSKBCPAWXZMOP-GFCCVEGCSA-N 1 0 268.360 3.075 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000065541450 369682342 /nfs/dbraw/zinc/68/23/42/369682342.db2.gz XCXIINJWKAQNRU-HNNXBMFYSA-N 1 0 256.349 3.281 50 0 CGAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccccc1)[C@H](C)n1cccn1 ZINC000069368945 369758017 /nfs/dbraw/zinc/75/80/17/369758017.db2.gz QWOVXFZVHWCOLG-KBPBESRZSA-N 1 0 295.390 3.013 50 0 CGAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069703410 369768436 /nfs/dbraw/zinc/76/84/36/369768436.db2.gz PHSYIYILYOJWGI-LRDDRELGSA-N 1 0 288.366 3.109 50 0 CGAARO CC(C)Oc1ccccc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000067673544 369724393 /nfs/dbraw/zinc/72/43/93/369724393.db2.gz MUHNMAVSZNNQFU-CQSZACIVSA-N 1 0 283.371 3.403 50 0 CGAARO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)o2)C1 ZINC000067774093 369729021 /nfs/dbraw/zinc/72/90/21/369729021.db2.gz MNAGZCAHGVOKDR-HNNXBMFYSA-N 1 0 292.423 3.025 50 0 CGAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[NH2+]C1 ZINC000067878060 369733308 /nfs/dbraw/zinc/73/33/08/369733308.db2.gz LXHCQOSHQAVNBK-AWEZNQCLSA-N 1 0 265.356 3.121 50 0 CGAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576230 369805020 /nfs/dbraw/zinc/80/50/20/369805020.db2.gz AKUVIHRINPRMML-WZRBSPASSA-N 1 0 296.361 3.002 50 0 CGAARO C[C@](O)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071772218 369810090 /nfs/dbraw/zinc/81/00/90/369810090.db2.gz AXIYGCZBYDVXRT-MOPGFXCFSA-N 1 0 281.399 3.416 50 0 CGAARO C[C@H](CCNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000072437001 369820754 /nfs/dbraw/zinc/82/07/54/369820754.db2.gz QFIHSMXKAMLWCS-GFCCVEGCSA-N 1 0 295.814 3.336 50 0 CGAARO COC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000079091193 369963455 /nfs/dbraw/zinc/96/34/55/369963455.db2.gz JURNLRZBJAXADY-CQSZACIVSA-N 1 0 270.376 3.093 50 0 CGAARO c1ccc([C@H](C[NH+]2CCCCC2)NCc2cccnc2)cc1 ZINC000075943902 369922313 /nfs/dbraw/zinc/92/23/13/369922313.db2.gz NGNLNCWMUSWJSD-IBGZPJMESA-N 1 0 295.430 3.398 50 0 CGAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccncc2)C1 ZINC000076071624 369928674 /nfs/dbraw/zinc/92/86/74/369928674.db2.gz GIOBTQUXEFLFNA-KBPBESRZSA-N 1 0 250.411 3.188 50 0 CGAARO CCOc1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000083618877 370008200 /nfs/dbraw/zinc/00/82/00/370008200.db2.gz QTXHUYVFQZUGFW-QGZVFWFLSA-N 1 0 253.345 3.320 50 0 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291.420 3.342 50 0 CGAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000170079861 372634476 /nfs/dbraw/zinc/63/44/76/372634476.db2.gz WPZFNHLQWOVUMX-VWYCJHECSA-N 1 0 285.334 3.203 50 0 CGAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCOCC(F)F)c1 ZINC000170605207 372641948 /nfs/dbraw/zinc/64/19/48/372641948.db2.gz RCOFLORSMNOGLL-HNNXBMFYSA-N 1 0 298.377 3.171 50 0 CGAARO CCc1ccc(C[N@H+](C)CCCc2cccnc2)nc1 ZINC000244763879 189911542 /nfs/dbraw/zinc/91/15/42/189911542.db2.gz OXBSKPIACRRYTM-UHFFFAOYSA-N 1 0 269.392 3.104 50 0 CGAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000179708644 373907997 /nfs/dbraw/zinc/90/79/97/373907997.db2.gz DFBNOGSLOXRTIC-OKACTXMXSA-N 1 0 286.419 3.067 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccnc3)C2)[nH]n1 ZINC000076059661 541910899 /nfs/dbraw/zinc/91/08/99/541910899.db2.gz QDXQPMPUZOURIP-DZGCQCFKSA-N 1 0 270.380 3.054 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1OC ZINC000083864168 541930795 /nfs/dbraw/zinc/93/07/95/541930795.db2.gz 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XXKMBSOWCPNSGX-UHFFFAOYSA-N 1 0 291.420 3.203 50 0 CGAARO CCCO[C@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000216121348 376158191 /nfs/dbraw/zinc/15/81/91/376158191.db2.gz MPISRMZQXBKXDA-AWEZNQCLSA-N 1 0 281.371 3.225 50 0 CGAARO COC(=O)C(C)(C)C[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000225410394 376307807 /nfs/dbraw/zinc/30/78/07/376307807.db2.gz LMHVXCZLSXGMJQ-UHFFFAOYSA-N 1 0 288.391 3.074 50 0 CGAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000225462306 376311732 /nfs/dbraw/zinc/31/17/32/376311732.db2.gz TVDXQBIWMQYHGR-QWRGUYRKSA-N 1 0 271.763 3.072 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@@H](O)C2)o1 ZINC000225532720 376314099 /nfs/dbraw/zinc/31/40/99/376314099.db2.gz XVJWADICSQKEIG-CYBMUJFWSA-N 1 0 289.350 3.351 50 0 CGAARO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225615940 376318752 /nfs/dbraw/zinc/31/87/52/376318752.db2.gz RLZFLFBUPAOHCY-SNVBAGLBSA-N 1 0 292.732 3.282 50 0 CGAARO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC(C)C)nn1C ZINC000225733483 376323202 /nfs/dbraw/zinc/32/32/02/376323202.db2.gz FYNGGIXQKGLVLA-ZDUSSCGKSA-N 1 0 251.418 3.451 50 0 CGAARO COCc1cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)ccc1F ZINC000225337266 376303289 /nfs/dbraw/zinc/30/32/89/376303289.db2.gz DADBXLONBCOFHL-LYRGGWFBSA-N 1 0 295.398 3.121 50 0 CGAARO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236589594 376670129 /nfs/dbraw/zinc/67/01/29/376670129.db2.gz KMGDHEPTKSETCA-CQSZACIVSA-N 1 0 267.332 3.323 50 0 CGAARO c1csc([C@H]2CCC[N@H+]2CCCc2cccnc2)n1 ZINC000240971715 376776665 /nfs/dbraw/zinc/77/66/65/376776665.db2.gz UBQLBHWNSQPYNA-CQSZACIVSA-N 1 0 273.405 3.308 50 0 CGAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC000241144859 376776734 /nfs/dbraw/zinc/77/67/34/376776734.db2.gz JTRZUQOKFBARKS-GFCCVEGCSA-N 1 0 297.345 3.130 50 0 CGAARO COc1cccc([C@@H]2CC[N@@H+]2CCCc2cccnc2)c1 ZINC000244758140 376794974 /nfs/dbraw/zinc/79/49/74/376794974.db2.gz OTBXSZLHHSOOFK-SFHVURJKSA-N 1 0 282.387 3.470 50 0 CGAARO Cc1c2ccccc2[nH]c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000244873367 376799042 /nfs/dbraw/zinc/79/90/42/376799042.db2.gz WOYCMBREAQZECB-AWEZNQCLSA-N 1 0 272.392 3.335 50 0 CGAARO Cc1occc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248041216 377260123 /nfs/dbraw/zinc/26/01/23/377260123.db2.gz SUTLJBBMLDWEOI-CZUORRHYSA-N 1 0 298.386 3.153 50 0 CGAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248714599 377385665 /nfs/dbraw/zinc/38/56/65/377385665.db2.gz KHBKKIATPQCVTG-ARLBYUKCSA-N 1 0 289.423 3.072 50 0 CGAARO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1nc2ccccc2o1 ZINC000248588149 377356687 /nfs/dbraw/zinc/35/66/87/377356687.db2.gz KIKYNDNEOBKDMZ-GMXVVIOVSA-N 1 0 260.337 3.046 50 0 CGAARO CC(C)SCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000252492123 377629990 /nfs/dbraw/zinc/62/99/90/377629990.db2.gz MDJWSBIAZRSPQG-CYBMUJFWSA-N 1 0 290.436 3.060 50 0 CGAARO c1cnn(CC[C@H]2CCCC[N@H+]2CCCc2cccnc2)c1 ZINC000252494850 377633038 /nfs/dbraw/zinc/63/30/38/377633038.db2.gz OGOGTLVOHUAHRA-GOSISDBHSA-N 1 0 298.434 3.156 50 0 CGAARO [NH3+]C[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000253497117 377695601 /nfs/dbraw/zinc/69/56/01/377695601.db2.gz NVFRHKOUUGZFCK-MGCOHNPYSA-N 1 0 263.366 3.031 50 0 CGAARO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3c(O)cccc32)C1 ZINC000253415918 377688139 /nfs/dbraw/zinc/68/81/39/377688139.db2.gz CMMKYZIQGNSMHB-IOASZLSFSA-N 1 0 275.392 3.317 50 0 CGAARO Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253412127 377688189 /nfs/dbraw/zinc/68/81/89/377688189.db2.gz PYSSPEDGXJSYKO-GXTWGEPZSA-N 1 0 277.437 3.020 50 0 biogenic CGAARO CCn1nccc1CN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000352369134 379782762 /nfs/dbraw/zinc/78/27/62/379782762.db2.gz NKULTOVXKSKDOV-UHFFFAOYSA-N 1 0 299.418 3.249 50 0 CGAARO COC[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000096492859 533133854 /nfs/dbraw/zinc/13/38/54/533133854.db2.gz LBCXRFPVYRYXTN-CABCVRRESA-N 1 0 277.408 3.157 50 0 CGAARO COc1cc(C)ccc1OCC[NH2+]Cc1ccccc1 ZINC000002823598 256857708 /nfs/dbraw/zinc/85/77/08/256857708.db2.gz JMJMLQZRKFKBHS-UHFFFAOYSA-N 1 0 271.360 3.172 50 0 CGAARO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)C1CCOCC1 ZINC000095419468 184975408 /nfs/dbraw/zinc/97/54/08/184975408.db2.gz JNHHNSDWCMHMJG-LBPRGKRZSA-N 1 0 299.361 3.235 50 0 CGAARO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)s1 ZINC000095421662 184976337 /nfs/dbraw/zinc/97/63/37/184976337.db2.gz UJXAKWONDPRGMX-JTQLQIEISA-N 1 0 283.828 3.418 50 0 CGAARO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000096477431 533363286 /nfs/dbraw/zinc/36/32/86/533363286.db2.gz PFCSFYMZSBBJNQ-CYBMUJFWSA-N 1 0 287.432 3.396 50 0 CGAARO COc1cccc(C2CC[NH+](C[C@H](O)C(C)C)CC2)c1F ZINC000366587382 533442363 /nfs/dbraw/zinc/44/23/63/533442363.db2.gz VIYYMHKDNPZTSN-HNNXBMFYSA-N 1 0 295.398 3.031 50 0 CGAARO CC(C)C[NH+]1CCC(Nc2ncnc3ccsc32)CC1 ZINC000058603287 392116556 /nfs/dbraw/zinc/11/65/56/392116556.db2.gz COCKOJCNLZILRV-UHFFFAOYSA-N 1 0 290.436 3.224 50 0 CGAARO c1[nH]nc2cc(C[NH2+][C@H](C3CC3)C3CCC3)ccc12 ZINC000453624215 394261726 /nfs/dbraw/zinc/26/17/26/394261726.db2.gz PRMZAJRFQYKRGC-INIZCTEOSA-N 1 0 255.365 3.231 50 0 CGAARO C[N@@H+](Cc1cc2ccccc2s1)C[C@@H]1CCC(=O)O1 ZINC000670449511 543155753 /nfs/dbraw/zinc/15/57/53/543155753.db2.gz DYIHZNYARFWDGS-LBPRGKRZSA-N 1 0 275.373 3.039 50 0 CGAARO CCc1nccn1C[C@@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670453119 543155145 /nfs/dbraw/zinc/15/51/45/543155145.db2.gz QKJBITIAFTWOTB-CQSZACIVSA-N 1 0 261.413 3.100 50 0 CGAARO CSCC[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)no1 ZINC000670474342 543157554 /nfs/dbraw/zinc/15/75/54/543157554.db2.gz FFAGPTYQKSOIEW-JTQLQIEISA-N 1 0 295.383 3.107 50 0 CGAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1Cl ZINC000070978855 397639500 /nfs/dbraw/zinc/63/95/00/397639500.db2.gz VJLQYXQOOFMBGU-UHFFFAOYSA-N 1 0 286.762 3.238 50 0 CGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000002019902 169768272 /nfs/dbraw/zinc/76/82/72/169768272.db2.gz XYCMOTOFHFTUIU-SNVBAGLBSA-N 1 0 292.206 3.121 50 0 in-man CGAARO C[N@H+](CC12CC3CC(CC(C3)C1)C2)C1CCOCC1 ZINC000121832042 287203890 /nfs/dbraw/zinc/20/38/90/287203890.db2.gz RIPXUNYNNMKDCM-UHFFFAOYSA-N 1 0 263.425 3.314 50 0 CGAARO Cc1ccc(Cl)c(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000002981161 169846986 /nfs/dbraw/zinc/84/69/86/169846986.db2.gz MCNRBFVOUIJJSC-UHFFFAOYSA-N 1 0 285.815 3.432 50 0 CGAARO CCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000004488530 169971685 /nfs/dbraw/zinc/97/16/85/169971685.db2.gz BBPXUZVSPYKSTK-CYBMUJFWSA-N 1 0 269.772 3.007 50 0 CGAARO Cc1c(C(=O)C[N@H+]2CCC[C@H](C)C2)c2ccccc2n1C ZINC000004808891 170020302 /nfs/dbraw/zinc/02/03/02/170020302.db2.gz XLACUGRGXUUWDI-ZDUSSCGKSA-N 1 0 284.403 3.401 50 0 CGAARO Clc1ccc(OCC[NH+]2CCCC2)cc1Cl ZINC000004845577 170029433 /nfs/dbraw/zinc/02/94/33/170029433.db2.gz NZNPXANSBXBMAX-UHFFFAOYSA-N 1 0 260.164 3.468 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942878 170043027 /nfs/dbraw/zinc/04/30/27/170043027.db2.gz RUYYDWPPSUJXDV-ZDUSSCGKSA-N 1 0 279.767 3.461 50 0 CGAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942967 170043477 /nfs/dbraw/zinc/04/34/77/170043477.db2.gz JGIOORNBPKXPNW-SECBINFHSA-N 1 0 283.730 3.210 50 0 CGAARO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)CC1CC1 ZINC000004987629 170049514 /nfs/dbraw/zinc/04/95/14/170049514.db2.gz WZNGZFTVSMWVBI-UHFFFAOYSA-N 1 0 293.407 3.334 50 0 CGAARO COc1cc(C[NH2+]C2CCC(C)CC2)cc(OC)c1OC ZINC000004989394 170050047 /nfs/dbraw/zinc/05/00/47/170050047.db2.gz DOQCZMQCFSXEAB-UHFFFAOYSA-N 1 0 293.407 3.381 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1OC ZINC000004997308 170052267 /nfs/dbraw/zinc/05/22/67/170052267.db2.gz CTINJADJQLRGIM-UHFFFAOYSA-N 1 0 293.313 3.272 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2ccccn2)cc1OCC ZINC000004998082 170052327 /nfs/dbraw/zinc/05/23/27/170052327.db2.gz TZRXSGROTHCNSC-UHFFFAOYSA-N 1 0 286.375 3.169 50 0 CGAARO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000005019921 170056864 /nfs/dbraw/zinc/05/68/64/170056864.db2.gz QUOLUWPVABJBKU-GOSISDBHSA-N 1 0 290.366 3.348 50 0 CGAARO CC[NH+](CC)CCSc1nc2cc(OC)ccc2[nH]1 ZINC000005686322 170128873 /nfs/dbraw/zinc/12/88/73/170128873.db2.gz OVTHPZURJMQKBI-UHFFFAOYSA-N 1 0 279.409 3.005 50 0 CGAARO CCOc1cc(C[NH2+]C)ccc1OCc1ccccc1 ZINC000005906239 170152898 /nfs/dbraw/zinc/15/28/98/170152898.db2.gz BJEWJLIPYDUMFR-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO CCCC[N@H+](C[C@@H](O)COCc1ccccc1)[C@@H](C)CC ZINC000006112235 170176744 /nfs/dbraw/zinc/17/67/44/170176744.db2.gz ZQJUMELBXTUJIN-FUHWJXTLSA-N 1 0 293.451 3.465 50 0 CGAARO Clc1ccc2nc(C[NH+]3CCCCCC3)cn2c1 ZINC000006438254 170201243 /nfs/dbraw/zinc/20/12/43/170201243.db2.gz PVGPUSNDKQPJAV-UHFFFAOYSA-N 1 0 263.772 3.364 50 0 CGAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000006731783 170236188 /nfs/dbraw/zinc/23/61/88/170236188.db2.gz VLMXBZBWKHQTES-NSHDSACASA-N 1 0 266.772 3.010 50 0 CGAARO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000008119197 170319796 /nfs/dbraw/zinc/31/97/96/170319796.db2.gz PPFFWUJNBPZPTP-CQSZACIVSA-N 1 0 290.407 3.288 50 0 CGAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008661052 170344381 /nfs/dbraw/zinc/34/43/81/170344381.db2.gz AFBZANDQPMWVRQ-UHFFFAOYSA-N 1 0 258.365 3.481 50 0 biogenic CGAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008852671 170357223 /nfs/dbraw/zinc/35/72/23/170357223.db2.gz LJVSSKTZCNBMCK-UHFFFAOYSA-N 1 0 275.179 3.272 50 0 CGAARO Cc1ccccc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013668457 170575460 /nfs/dbraw/zinc/57/54/60/170575460.db2.gz HBRPFFMUPLRFDX-HUUCEWRRSA-N 1 0 288.435 3.093 50 0 CGAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH+]1CCSCC1 ZINC000015962219 170683757 /nfs/dbraw/zinc/68/37/57/170683757.db2.gz ZNQNKTVVGUJYMP-UHFFFAOYSA-N 1 0 299.399 3.372 50 0 CGAARO C[C@@H]([NH2+]CCCn1ccnc1)c1ccc(Cl)cc1 ZINC000020506294 171228941 /nfs/dbraw/zinc/22/89/41/171228941.db2.gz FATUZTRIKCMCHK-GFCCVEGCSA-N 1 0 263.772 3.277 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2csc(C)c2CC)CC1 ZINC000020595093 171264108 /nfs/dbraw/zinc/26/41/08/171264108.db2.gz SKPKMWHROOCXHA-UHFFFAOYSA-N 1 0 294.464 3.223 50 0 CGAARO Cc1cccc(CC[N@@H+]2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000020859587 171276464 /nfs/dbraw/zinc/27/64/64/171276464.db2.gz OMOCQWIOJILFQC-IBGZPJMESA-N 1 0 281.399 3.131 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000032652018 171742742 /nfs/dbraw/zinc/74/27/42/171742742.db2.gz BUWMUSIXAOEMCJ-CHWSQXEVSA-N 1 0 271.364 3.215 50 0 CGAARO Fc1ccc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035285268 172103295 /nfs/dbraw/zinc/10/32/95/172103295.db2.gz ARMWCMRIECSWLI-CVEARBPZSA-N 1 0 257.308 3.228 50 0 CGAARO CC[NH2+][C@@H](c1cccnc1)c1ccc2c(c1)CCC2 ZINC000035551397 172258468 /nfs/dbraw/zinc/25/84/68/172258468.db2.gz GLJGVOUSCXFWPM-QGZVFWFLSA-N 1 0 252.361 3.269 50 0 CGAARO [NH3+]CC1(CC(=O)OCc2ccccc2)CCCCC1 ZINC000035940643 172425846 /nfs/dbraw/zinc/42/58/46/172425846.db2.gz GSONCEMBMWBHGA-UHFFFAOYSA-N 1 0 261.365 3.029 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cccs2)o1 ZINC000037211887 173033748 /nfs/dbraw/zinc/03/37/48/173033748.db2.gz OGGWOWOKSYZMJQ-UHFFFAOYSA-N 1 0 287.388 3.372 50 0 CGAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(Cl)s1 ZINC000040074563 174187172 /nfs/dbraw/zinc/18/71/72/174187172.db2.gz NXTWGRBNKXHOIL-UHFFFAOYSA-N 1 0 286.828 3.007 50 0 CGAARO Cc1csc(SCC[C@@H]2CCCC[N@H+]2C)n1 ZINC000040159252 174195671 /nfs/dbraw/zinc/19/56/71/174195671.db2.gz CCLAQHJEULBVEF-NSHDSACASA-N 1 0 256.440 3.418 50 0 CGAARO C[NH+](C)C(C)(C)CNC(=O)c1cc2c(cccc2F)s1 ZINC000040159946 174195832 /nfs/dbraw/zinc/19/58/32/174195832.db2.gz LYAUSLAARYVNPK-UHFFFAOYSA-N 1 0 294.395 3.110 50 0 CGAARO C[C@@H]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909374 174909855 /nfs/dbraw/zinc/90/98/55/174909855.db2.gz WKPOSZGQMCFYAJ-OLZOCXBDSA-N 1 0 295.471 3.174 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000058163312 175609346 /nfs/dbraw/zinc/60/93/46/175609346.db2.gz BIVRYKMNSYIJCI-GFCCVEGCSA-N 1 0 288.778 3.457 50 0 CGAARO CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069534350 175838081 /nfs/dbraw/zinc/83/80/81/175838081.db2.gz MDKMKAUJTWHHLZ-HNNXBMFYSA-N 1 0 280.456 3.147 50 0 CGAARO C[C@H]1C[NH+](CCNc2cccc3ccccc32)C[C@H](C)O1 ZINC000071771274 176262342 /nfs/dbraw/zinc/26/23/42/176262342.db2.gz SNMLJOYSKAGWBK-GJZGRUSLSA-N 1 0 284.403 3.361 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(C)ccc1OC ZINC000072298500 176363914 /nfs/dbraw/zinc/36/39/14/176363914.db2.gz WJRMKLYLJSGZMK-MRXNPFEDSA-N 1 0 299.418 3.387 50 0 CGAARO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)C(C)(C)C(F)F ZINC000657833261 419378886 /nfs/dbraw/zinc/37/88/86/419378886.db2.gz QTNYTXHLYCUAQJ-NSHDSACASA-N 1 0 294.349 3.037 50 0 CGAARO COCCC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000529638393 270186463 /nfs/dbraw/zinc/18/64/63/270186463.db2.gz RYJYMBPAMRVKFK-UHFFFAOYSA-N 1 0 299.418 3.121 50 0 CGAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[NH2+]C2 ZINC000067872931 275060424 /nfs/dbraw/zinc/06/04/24/275060424.db2.gz YYRFRDBMEPSUCA-UHFFFAOYSA-N 1 0 275.735 3.195 50 0 CGAARO Brc1ccc2c(c1)c1c3n2CC[NH2+][C@@H]3CCC1 ZINC000000210081 275372537 /nfs/dbraw/zinc/37/25/37/275372537.db2.gz IUGGYBLSCOVAQM-GFCCVEGCSA-N 1 0 291.192 3.384 50 0 biogenic CGAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000191065212 275909475 /nfs/dbraw/zinc/90/94/75/275909475.db2.gz UWIPJTBKTIFULT-WBVHZDCISA-N 1 0 290.451 3.066 50 0 CGAARO CC[NH+](CC)C[C@@H]1CCc2c(c3ccccc3n2C)C1=O ZINC000000198405 276106720 /nfs/dbraw/zinc/10/67/20/276106720.db2.gz WZSGZOWAGWFZKL-ZDUSSCGKSA-N 1 0 284.403 3.265 50 0 biogenic CGAARO CC[N@@H+]1CCCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000225505615 276164581 /nfs/dbraw/zinc/16/45/81/276164581.db2.gz FMMRWUFINWJQEN-QGZVFWFLSA-N 1 0 276.399 3.231 50 0 CGAARO COC1(C[NH2+][C@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000090650703 277469883 /nfs/dbraw/zinc/46/98/83/277469883.db2.gz CCVXUZIJMHKHPV-HNNXBMFYSA-N 1 0 295.810 3.113 50 0 CGAARO COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000028865384 278034726 /nfs/dbraw/zinc/03/47/26/278034726.db2.gz OZFLGQHJVWSALN-INIZCTEOSA-N 1 0 267.372 3.342 50 0 CGAARO Cc1nc[nH]c1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000067714483 280187148 /nfs/dbraw/zinc/18/71/48/280187148.db2.gz GYPMIWKMSKYVTA-INIZCTEOSA-N 1 0 255.365 3.228 50 0 CGAARO CC[C@@H]([NH2+]C1CCCCCC1)c1ncnn1CC ZINC000534574487 328309472 /nfs/dbraw/zinc/30/94/72/328309472.db2.gz JFBAMLVLVASMIJ-CYBMUJFWSA-N 1 0 250.390 3.062 50 0 CGAARO CC[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1ccccn1 ZINC000534589093 328317369 /nfs/dbraw/zinc/31/73/69/328317369.db2.gz IMXALGAWDATVSU-KRWDZBQOSA-N 1 0 299.418 3.380 50 0 CGAARO CCCc1nc(C)c(C[NH2+][C@@H]2CCCSC2)s1 ZINC000534644786 328330382 /nfs/dbraw/zinc/33/03/82/328330382.db2.gz MGVDPCSVGJKOEW-LLVKDONJSA-N 1 0 270.467 3.389 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)o1 ZINC000075103997 327123099 /nfs/dbraw/zinc/12/30/99/327123099.db2.gz IQUFAHUFAOHFBZ-BLVKFPJESA-N 1 0 277.389 3.176 50 0 CGAARO C[C@H]([NH2+]Cc1ccncc1F)[C@H](c1ccccc1)N(C)C ZINC000449251957 533936828 /nfs/dbraw/zinc/93/68/28/533936828.db2.gz SWWDTVMCMMLUSP-SUMWQHHRSA-N 1 0 287.382 3.002 50 0 CGAARO CC(C)Oc1ccc([C@H](C)[NH3+])cc1Br ZINC000061698888 519781725 /nfs/dbraw/zinc/78/17/25/519781725.db2.gz AEDKRDSPODZJAX-QMMMGPOBSA-N 1 0 258.159 3.256 50 0 CGAARO CCN(CC)c1ncccc1C[NH2+]Cc1ccsc1 ZINC000012304258 520935649 /nfs/dbraw/zinc/93/56/49/520935649.db2.gz KJMKQUAAHXGHPR-UHFFFAOYSA-N 1 0 275.421 3.279 50 0 CGAARO COc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1OC ZINC000004996970 526023858 /nfs/dbraw/zinc/02/38/58/526023858.db2.gz GSEGJKFKRLADKL-UHFFFAOYSA-N 1 0 293.313 3.272 50 0 CGAARO CCOC1CC[NH+](CCOc2ccc(SC)cc2)CC1 ZINC000096441383 528532881 /nfs/dbraw/zinc/53/28/81/528532881.db2.gz IVQCNFLDIZLCPB-UHFFFAOYSA-N 1 0 295.448 3.288 50 0 CGAARO CC[C@H]1C=CCN1C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000952990730 615877369 /nfs/dbraw/zinc/87/73/69/615877369.db2.gz SSXQPIICOBXPPB-SFHVURJKSA-N 1 0 298.430 3.043 50 0 CGAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000019742858 618970445 /nfs/dbraw/zinc/97/04/45/618970445.db2.gz FFIUTWVRDQDEDC-HZPDHXFCSA-N 1 0 292.467 3.360 50 0 CGAARO Cc1cccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004984621 619226693 /nfs/dbraw/zinc/22/66/93/619226693.db2.gz VWZYVUSISCBLJJ-IAGOWNOFSA-N 1 0 287.403 3.416 50 0 CGAARO O=C1CC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098113 619260104 /nfs/dbraw/zinc/26/01/04/619260104.db2.gz ADFUNGLXNRMLDT-IAGOWNOFSA-N 1 0 286.419 3.176 50 0 CGAARO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C2(Cl)CC2)c1 ZINC000863983305 629720940 /nfs/dbraw/zinc/72/09/40/629720940.db2.gz FPWFXLPSSYIDTL-LBPRGKRZSA-N 1 0 294.826 3.076 50 0 CGAARO Cc1cc(C)n2ncc(C[NH2+][C@H](C)C3=CCCCC3)c2n1 ZINC000952990959 636777173 /nfs/dbraw/zinc/77/71/73/636777173.db2.gz KMZZRQTYFKJXIC-CQSZACIVSA-N 1 0 284.407 3.325 50 0 CGAARO COCCC1(C[NH2+]Cc2ccnc(OC)c2)CCCCC1 ZINC000189030020 640162676 /nfs/dbraw/zinc/16/26/76/640162676.db2.gz KTXRFIKLWPPDBB-UHFFFAOYSA-N 1 0 292.423 3.167 50 0 CGAARO C[C@@](O)(C[N@@H+]1Cc2ccccc2C2(CCC2)C1)C(F)(F)F ZINC000352361703 799326631 /nfs/dbraw/zinc/32/66/31/799326631.db2.gz LXWFGFVWLRALIH-CQSZACIVSA-N 1 0 299.336 3.237 50 0 CGAARO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)C1 ZINC000585117150 799678092 /nfs/dbraw/zinc/67/80/92/799678092.db2.gz SDOYGJOEKQMTPA-OCCSQVGLSA-N 1 0 270.376 3.196 50 0 CGAARO C1=CC[C@@H](C[N@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC000820403407 800454617 /nfs/dbraw/zinc/45/46/17/800454617.db2.gz HAFRQGUGBPUMCX-IAGOWNOFSA-N 1 0 262.441 3.293 50 0 CGAARO Nc1ncc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000827590669 800478442 /nfs/dbraw/zinc/47/84/42/800478442.db2.gz SHDYTORRGKFYCH-ZDUSSCGKSA-N 1 0 273.405 3.105 50 0 CGAARO CCSc1ccccc1NC(=O)C1([NH3+])CCCC1 ZINC000037768060 926716868 /nfs/dbraw/zinc/71/68/68/926716868.db2.gz MTEIMBAKACACKX-UHFFFAOYSA-N 1 0 264.394 3.009 50 0 CGAARO Cc1nc2ccccc2c(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC001506402379 937989539 /nfs/dbraw/zinc/98/95/39/937989539.db2.gz XRLPVNLGTYYKOL-HNNXBMFYSA-N 1 0 296.418 3.003 50 0 CGAARO CCC[N@H+](Cc1ccnn1C)Cc1cccc(Cl)c1 ZINC001529169037 938071413 /nfs/dbraw/zinc/07/14/13/938071413.db2.gz RGPYRYIGEWJSDZ-UHFFFAOYSA-N 1 0 277.799 3.486 50 0 CGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccccc1C1CC1 ZINC000095505586 185000617 /nfs/dbraw/zinc/00/06/17/185000617.db2.gz IMLLOLSWSSMFGU-CQSZACIVSA-N 1 0 287.407 3.170 50 0 CGAARO Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000095946614 185038500 /nfs/dbraw/zinc/03/85/00/185038500.db2.gz NHHQDJLQQXAKFM-CQSZACIVSA-N 1 0 296.370 3.335 50 0 CGAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccco1 ZINC000095968323 185046638 /nfs/dbraw/zinc/04/66/38/185046638.db2.gz HXKKLJSLPCJYGV-ZFWWWQNUSA-N 1 0 259.349 3.096 50 0 CGAARO Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCn2ccnc2)cc1 ZINC000095967090 185047189 /nfs/dbraw/zinc/04/71/89/185047189.db2.gz TWIQUFXFAIDANK-DLBZAZTESA-N 1 0 287.382 3.338 50 0 CGAARO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969287 185048181 /nfs/dbraw/zinc/04/81/81/185048181.db2.gz JXVOGVSWFKZSQG-UKRRQHHQSA-N 1 0 289.375 3.279 50 0 CGAARO Cc1ccc(C[NH2+][C@H](C)C[C@H](O)c2cccs2)nc1 ZINC000095978223 185052102 /nfs/dbraw/zinc/05/21/02/185052102.db2.gz RBXCZEIAPAHFIQ-OCCSQVGLSA-N 1 0 276.405 3.053 50 0 CGAARO CCC[C@H](C[N@H+](C)C1CCS(=O)CC1)c1ccccc1 ZINC000095986776 185056182 /nfs/dbraw/zinc/05/61/82/185056182.db2.gz QPLBMMYMDQBANB-ZRZPHAQCSA-N 1 0 293.476 3.413 50 0 CGAARO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cccn2)o1 ZINC000124755065 187152609 /nfs/dbraw/zinc/15/26/09/187152609.db2.gz CTWKIFORNFHDOC-CQSZACIVSA-N 1 0 259.353 3.012 50 0 CGAARO CCc1ccc([C@H]([NH2+]CC(=O)NC(C)(C)C)C(C)C)cc1 ZINC000096955929 185140323 /nfs/dbraw/zinc/14/03/23/185140323.db2.gz OEYZIFPQARHAQD-QGZVFWFLSA-N 1 0 290.451 3.450 50 0 CGAARO COc1ccc2oc(C[NH2+]Cc3ccc(C)nc3)cc2c1 ZINC000097022807 185153328 /nfs/dbraw/zinc/15/33/28/185153328.db2.gz OYNXZKXKMZNKTE-UHFFFAOYSA-N 1 0 282.343 3.435 50 0 CGAARO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C(C)C)no2)C12CCC2 ZINC000097034538 185157121 /nfs/dbraw/zinc/15/71/21/185157121.db2.gz AXZNDTKVELPFDY-CABCVRRESA-N 1 0 278.396 3.235 50 0 CGAARO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)c(Br)c1 ZINC000125917969 187204720 /nfs/dbraw/zinc/20/47/20/187204720.db2.gz IZYAYNHASGGCAC-LBPRGKRZSA-N 1 0 284.197 3.026 50 0 CGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C)(C)C 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CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000134719693 346084242 /nfs/dbraw/zinc/08/42/42/346084242.db2.gz NLUYFOAOKMAEJI-YQQAZPJKSA-N 1 0 294.483 3.438 50 0 CGAARO COc1ccc(OC/C=C/C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000170602323 346195021 /nfs/dbraw/zinc/19/50/21/346195021.db2.gz OYQRBEHEPPHSCO-BWPKMQGJSA-N 1 0 275.392 3.362 50 0 CGAARO C[C@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)C(C)(C)CO1 ZINC000170616095 346195464 /nfs/dbraw/zinc/19/54/64/346195464.db2.gz WVSJGXJWZZKMPH-AWEZNQCLSA-N 1 0 289.419 3.053 50 0 CGAARO CC(=O)NC1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187081835 346259953 /nfs/dbraw/zinc/25/99/53/346259953.db2.gz XMIPUDDXMAUXGV-LBPRGKRZSA-N 1 0 294.826 3.044 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000245339370 346352998 /nfs/dbraw/zinc/35/29/98/346352998.db2.gz SGZQGEBNKIBDOQ-BPLDGKMQSA-N 1 0 292.448 3.197 50 0 CGAARO COC[C@@H](C)[NH2+]CCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000584892623 346721945 /nfs/dbraw/zinc/72/19/45/346721945.db2.gz MAMBQTTVNKAVPW-SNVBAGLBSA-N 1 0 280.799 3.297 50 0 CGAARO Cc1cc(C)c(CN[C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000584889865 346722462 /nfs/dbraw/zinc/72/24/62/346722462.db2.gz QSXMMJXSRUQYAA-INIZCTEOSA-N 1 0 275.440 3.053 50 0 CGAARO Clc1cnc(N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000225819337 282542213 /nfs/dbraw/zinc/54/22/13/282542213.db2.gz QPEBPWBGSTUUBZ-NSHDSACASA-N 1 0 286.206 3.063 50 0 CGAARO CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CCOC(C)(C)C1 ZINC000351949517 219261701 /nfs/dbraw/zinc/26/17/01/219261701.db2.gz QAJOULUTHCNKRO-GFCCVEGCSA-N 1 0 295.427 3.147 50 0 CGAARO Cc1occc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000089585427 179824799 /nfs/dbraw/zinc/82/47/99/179824799.db2.gz OOIXWOCXRDPMQQ-UHFFFAOYSA-N 1 0 272.348 3.210 50 0 CGAARO Cc1[nH]c2c(cccc2C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C)C3)c1C ZINC000091325608 180135318 /nfs/dbraw/zinc/13/53/18/180135318.db2.gz ZDQLFDFIGUASRS-NVXWUHKLSA-N 1 0 297.446 3.311 50 0 CGAARO C[C@@H](C[NH2+]C[C@H]1CCC=CO1)c1nc(-c2ccccc2)no1 ZINC000194532704 138486366 /nfs/dbraw/zinc/48/63/66/138486366.db2.gz ZAQNVLZOCOZROS-DZGCQCFKSA-N 1 0 299.374 3.122 50 0 CGAARO [NH3+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000011884544 283426089 /nfs/dbraw/zinc/42/60/89/283426089.db2.gz OTLXOVICQVYJJA-UHFFFAOYSA-N 1 0 260.164 3.000 50 0 CGAARO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCCF)C3)nc2c1 ZINC000181159344 189289777 /nfs/dbraw/zinc/28/97/77/189289777.db2.gz GNFDHGMERIGBJL-CYBMUJFWSA-N 1 0 275.371 3.410 50 0 CGAARO C[C@@H](c1cnccn1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000184394249 189385325 /nfs/dbraw/zinc/38/53/25/189385325.db2.gz INNXQXFZVMPKGH-HNNXBMFYSA-N 1 0 297.402 3.219 50 0 CGAARO CCc1ccccc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000215016141 189690757 /nfs/dbraw/zinc/69/07/57/189690757.db2.gz PERIPUZTUOBGNH-CQSZACIVSA-N 1 0 269.392 3.102 50 0 CGAARO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000120965563 370817856 /nfs/dbraw/zinc/81/78/56/370817856.db2.gz YBMOSZAAQOANET-CMPLNLGQSA-N 1 0 263.385 3.251 50 0 CGAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000120965122 370818193 /nfs/dbraw/zinc/81/81/93/370818193.db2.gz YBMOSZAAQOANET-PWSUYJOCSA-N 1 0 263.385 3.251 50 0 CGAARO Brc1ccccc1OCC[NH+]1CCCCC1 ZINC000000227093 368319907 /nfs/dbraw/zinc/31/99/07/368319907.db2.gz DVLYMWCRXBKSSB-UHFFFAOYSA-N 1 0 284.197 3.314 50 0 CGAARO COc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000000172114 368308025 /nfs/dbraw/zinc/30/80/25/368308025.db2.gz FECSVWAYVHURCC-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 biogenic CGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000000182887 368310679 /nfs/dbraw/zinc/31/06/79/368310679.db2.gz XQVGEFBUWFDHKZ-WFASDCNBSA-N 1 0 263.381 3.372 50 0 CGAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000000254567 368325269 /nfs/dbraw/zinc/32/52/69/368325269.db2.gz DZAXOXWUFFGOSN-UHFFFAOYSA-N 1 0 260.381 3.118 50 0 CGAARO C=C(c1cccc(Br)c1)[n+]1ccccc1 ZINC000000337493 368342961 /nfs/dbraw/zinc/34/29/61/368342961.db2.gz HIPUXICOPWMHGF-UHFFFAOYSA-N 1 0 261.142 3.256 50 0 CGAARO CC(C)[C@H]1C[C@@](CC[NH3+])(Cc2ccccc2)CCO1 ZINC000000343906 368344551 /nfs/dbraw/zinc/34/45/51/368344551.db2.gz WSXVXVYATOMEAJ-IAGOWNOFSA-N 1 0 261.409 3.399 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)cc(OC)c1 ZINC000000758805 368395345 /nfs/dbraw/zinc/39/53/45/368395345.db2.gz DRSYBUUGHBYGHZ-MLGOLLRUSA-N 1 0 263.381 3.372 50 0 CGAARO C[NH+](C)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001542122 368418272 /nfs/dbraw/zinc/41/82/72/368418272.db2.gz WEXXUYMWTQIYRE-UHFFFAOYSA-N 1 0 263.772 3.252 50 0 CGAARO Clc1ccc(CSC2=[NH+]CCN2)c(Cl)c1 ZINC000001994448 368444032 /nfs/dbraw/zinc/44/40/32/368444032.db2.gz WVQKHUPKDYYVOK-UHFFFAOYSA-N 1 0 261.177 3.186 50 0 CGAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002508009 368457268 /nfs/dbraw/zinc/45/72/68/368457268.db2.gz QUOLUWPVABJBKU-SFHVURJKSA-N 1 0 290.366 3.348 50 0 biogenic,in-vitro CGAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000003306263 368501744 /nfs/dbraw/zinc/50/17/44/368501744.db2.gz YBPZGFDMMKGDBH-QGZVFWFLSA-N 1 0 282.387 3.028 50 0 CGAARO COc1ccccc1NC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000002784487 368478465 /nfs/dbraw/zinc/47/84/65/368478465.db2.gz BIALCXHECCVXBO-UHFFFAOYSA-N 1 0 298.386 3.156 50 0 CGAARO C[C@@H](O)C[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002879693 368484710 /nfs/dbraw/zinc/48/47/10/368484710.db2.gz INPHLPMLZBYOIG-GFCCVEGCSA-N 1 0 299.842 3.377 50 0 CGAARO CC[C@@H](C)c1ccccc1OCC[NH2+]CCCOC ZINC000003000414 368488179 /nfs/dbraw/zinc/48/81/79/368488179.db2.gz GLCZIEZHMVRAQF-CQSZACIVSA-N 1 0 265.397 3.205 50 0 CGAARO CCCC[NH2+]CCCOc1cccc(OCC)c1 ZINC000003461587 368508465 /nfs/dbraw/zinc/50/84/65/368508465.db2.gz PWCQIRNOOVGWQV-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO COCCC[NH2+]CCOc1c(C)cccc1C(C)(C)C ZINC000003462060 368509142 /nfs/dbraw/zinc/50/91/42/368509142.db2.gz YQQXFANKFOBWCM-UHFFFAOYSA-N 1 0 279.424 3.297 50 0 CGAARO COc1cc([C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000003705646 368517259 /nfs/dbraw/zinc/51/72/59/368517259.db2.gz UEDWXGBJKWDINU-LBPRGKRZSA-N 1 0 257.333 3.294 50 0 CGAARO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203038 368536296 /nfs/dbraw/zinc/53/62/96/368536296.db2.gz MHRKPCRXBAHJGS-HNNXBMFYSA-N 1 0 290.407 3.033 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000004317307 368543286 /nfs/dbraw/zinc/54/32/86/368543286.db2.gz ABLQPKMXLOVVBU-MCIONIFRSA-N 1 0 297.826 3.058 50 0 CGAARO O=c1cc(NCCC[NH+]2CCCCC2)c2ccccc2o1 ZINC000010313686 368579396 /nfs/dbraw/zinc/57/93/96/368579396.db2.gz LZVLTMYRXOBYGS-UHFFFAOYSA-N 1 0 286.375 3.081 50 0 CGAARO COc1ccc(Cc2nc(C)c([C@@H](C)[NH3+])s2)cc1OC ZINC000011850342 368598519 /nfs/dbraw/zinc/59/85/19/368598519.db2.gz WDTVJHBNXXOKQS-SECBINFHSA-N 1 0 292.404 3.079 50 0 CGAARO Cc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000012349053 368607574 /nfs/dbraw/zinc/60/75/74/368607574.db2.gz MSCHAJACMKQLNW-HNNXBMFYSA-N 1 0 288.416 3.089 50 0 CGAARO C=C1c2ccccc2NC(=O)N1CCC[NH+]1CCCCC1 ZINC000012779260 368626928 /nfs/dbraw/zinc/62/69/28/368626928.db2.gz UJGAXFKBXDCMER-UHFFFAOYSA-N 1 0 285.391 3.381 50 0 CGAARO Cc1ccc2[nH]c(C(=O)NC3CC[NH+](C(C)C)CC3)cc2c1 ZINC000012894426 368632332 /nfs/dbraw/zinc/63/23/32/368632332.db2.gz CKBLXUNBKGLCNV-UHFFFAOYSA-N 1 0 299.418 3.079 50 0 CGAARO CCC[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1 ZINC000016695405 368719455 /nfs/dbraw/zinc/71/94/55/368719455.db2.gz VJOMFULPVUNHIM-MRXNPFEDSA-N 1 0 286.375 3.027 50 0 CGAARO CC(C)c1ccc([C@@H](C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000019682510 368759833 /nfs/dbraw/zinc/75/98/33/368759833.db2.gz OYCVEBQMDGSXGY-CQSZACIVSA-N 1 0 278.396 3.335 50 0 CGAARO CN1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019537162 368756644 /nfs/dbraw/zinc/75/66/44/368756644.db2.gz IIMLRXWOOMSOGC-UHFFFAOYSA-N 1 0 280.415 3.491 50 0 CGAARO COc1ccc2[nH]cc([C@@H](C[NH3+])c3ccccc3)c2c1 ZINC000026512778 368861154 /nfs/dbraw/zinc/86/11/54/368861154.db2.gz XIXHVFMEHBEOCF-HNNXBMFYSA-N 1 0 266.344 3.267 50 0 CGAARO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccs1 ZINC000027368545 368871279 /nfs/dbraw/zinc/87/12/79/368871279.db2.gz YSPAPRGAOCEECR-OAHLLOKOSA-N 1 0 288.416 3.334 50 0 CGAARO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)o1 ZINC000027398996 368871294 /nfs/dbraw/zinc/87/12/94/368871294.db2.gz SQRHKZGNAGJTSB-WFASDCNBSA-N 1 0 299.370 3.464 50 0 CGAARO CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583923 368873119 /nfs/dbraw/zinc/87/31/19/368873119.db2.gz DEHAZQXYOWKFHN-AWEZNQCLSA-N 1 0 280.799 3.003 50 0 CGAARO COc1ccccc1C[C@H](C)[NH2+]Cc1ccccc1 ZINC000033883461 368969740 /nfs/dbraw/zinc/96/97/40/368969740.db2.gz DXRDGZFKNHRXPM-AWEZNQCLSA-N 1 0 255.361 3.416 50 0 CGAARO O=C(C[C@H]1C=CCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911484 368952383 /nfs/dbraw/zinc/95/23/83/368952383.db2.gz LMRFKEOEDQVXBQ-WMZOPIPTSA-N 1 0 298.430 3.124 50 0 CGAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000036398532 369022001 /nfs/dbraw/zinc/02/20/01/369022001.db2.gz FXFQDEMTTGQUMW-UHFFFAOYSA-N 1 0 283.375 3.176 50 0 CGAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccccn3)c2c1 ZINC000036657778 369024577 /nfs/dbraw/zinc/02/45/77/369024577.db2.gz OHRTZEFKQFYIFF-UHFFFAOYSA-N 1 0 295.386 3.212 50 0 CGAARO Brc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000036874166 369035778 /nfs/dbraw/zinc/03/57/78/369035778.db2.gz JZZIKMCTVRNYTF-NSHDSACASA-N 1 0 292.180 3.264 50 0 CGAARO CCc1cc(OC[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000042775821 369232234 /nfs/dbraw/zinc/23/22/34/369232234.db2.gz CPLAPTZSSHFLII-NSHDSACASA-N 1 0 253.773 3.281 50 0 CGAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cn1 ZINC000047826075 369328678 /nfs/dbraw/zinc/32/86/78/369328678.db2.gz PDYKKNPCNODPNW-UHFFFAOYSA-N 1 0 284.388 3.131 50 0 CGAARO Cc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000048409120 369347431 /nfs/dbraw/zinc/34/74/31/369347431.db2.gz LXPWWMOPMJPRND-UHFFFAOYSA-N 1 0 251.333 3.161 50 0 CGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccoc2)cc1 ZINC000048815702 369371881 /nfs/dbraw/zinc/37/18/81/369371881.db2.gz AIWKEDJICRMMFR-UHFFFAOYSA-N 1 0 271.295 3.099 50 0 CGAARO CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H](C)COC ZINC000052219586 369467730 /nfs/dbraw/zinc/46/77/30/369467730.db2.gz BPKHAUZZURVOIL-LBPRGKRZSA-N 1 0 292.354 3.338 50 0 CGAARO Cc1noc(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000054678023 369504491 /nfs/dbraw/zinc/50/44/91/369504491.db2.gz SRTOXPXADLYNCC-UHFFFAOYSA-N 1 0 285.391 3.190 50 0 CGAARO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000057350676 369535299 /nfs/dbraw/zinc/53/52/99/369535299.db2.gz UGGJSVBYTTVKEH-UHFFFAOYSA-N 1 0 299.418 3.325 50 0 CGAARO CSC(=O)C[NH2+]C1(Cc2ccc(O)cc2)CCCCC1 ZINC000057466657 369539238 /nfs/dbraw/zinc/53/92/38/369539238.db2.gz TUSUUYOOUVTPAG-UHFFFAOYSA-N 1 0 293.432 3.117 50 0 CGAARO CC[N@@H+](Cc1ccncc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055107528 369510987 /nfs/dbraw/zinc/51/09/87/369510987.db2.gz ARFIAIXIJQNCSY-ZWKOTPCHSA-N 1 0 287.451 3.168 50 0 CGAARO CCn1cc(C[N@@H+](Cc2ccoc2)CC(C)C)cn1 ZINC000055245302 369513272 /nfs/dbraw/zinc/51/32/72/369513272.db2.gz JFABXUJGSGMBQQ-UHFFFAOYSA-N 1 0 261.369 3.154 50 0 CGAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccc3c2OCO3)c1 ZINC000055281164 369513931 /nfs/dbraw/zinc/51/39/31/369513931.db2.gz QVEWDHAPFWIJAC-AWEZNQCLSA-N 1 0 298.386 3.182 50 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Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065515768 369680544 /nfs/dbraw/zinc/68/05/44/369680544.db2.gz DCLMFXCJZKJTTQ-OAHLLOKOSA-N 1 0 257.337 3.024 50 0 CGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc2c1CCCC2 ZINC000067974940 369738778 /nfs/dbraw/zinc/73/87/78/369738778.db2.gz BUKGJYZJUZJKAM-LBPRGKRZSA-N 1 0 275.421 3.002 50 0 CGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000069493287 369761734 /nfs/dbraw/zinc/76/17/34/369761734.db2.gz WMLGHIJLUAFCTP-RYUDHWBXSA-N 1 0 279.334 3.209 50 0 CGAARO Cc1oc(-c2ccccc2C)nc1Cn1ccnc1 ZINC000067714142 369726418 /nfs/dbraw/zinc/72/64/18/369726418.db2.gz UAPVCJNUWKSBNZ-UHFFFAOYSA-N 1 0 253.305 3.203 50 0 CGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000067894762 369735392 /nfs/dbraw/zinc/73/53/92/369735392.db2.gz SWJOLOJJQABUGF-ZDUSSCGKSA-N 1 0 296.374 3.239 50 0 CGAARO C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@@H]1CCCCN12 ZINC000071771844 369810492 /nfs/dbraw/zinc/81/04/92/369810492.db2.gz XFHQYXRJUICKLQ-IRXDYDNUSA-N 1 0 286.419 3.034 50 0 CGAARO CCOC[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000072634389 369831531 /nfs/dbraw/zinc/83/15/31/369831531.db2.gz JYELJWTWMOOVSZ-OAHLLOKOSA-N 1 0 276.424 3.001 50 0 CGAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccno2)c1 ZINC000072665387 369833182 /nfs/dbraw/zinc/83/31/82/369833182.db2.gz QAKBXDOEACXHTF-INIZCTEOSA-N 1 0 271.364 3.078 50 0 CGAARO OCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072712958 369834827 /nfs/dbraw/zinc/83/48/27/369834827.db2.gz OFRVFRGNOJRDRV-UHFFFAOYSA-N 1 0 286.158 3.335 50 0 CGAARO CCn1cc(C[NH2+][C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cn1 ZINC000072746682 369837218 /nfs/dbraw/zinc/83/72/18/369837218.db2.gz TYVFBOLKDXOCLJ-QZTJIDSGSA-N 1 0 299.418 3.221 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3cccs3)o2)C1 ZINC000070039630 369777559 /nfs/dbraw/zinc/77/75/59/369777559.db2.gz UZXDFJTUQJWYKV-PHIMTYICSA-N 1 0 277.393 3.276 50 0 CGAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccnc2)C1 ZINC000076067457 369927110 /nfs/dbraw/zinc/92/71/10/369927110.db2.gz DBQYULHFTADJIG-UONOGXRCSA-N 1 0 250.411 3.188 50 0 CGAARO O=C(OC1CCCCC1)[C@@H]1CCN1Cc1ccccc1 ZINC000089834915 370047255 /nfs/dbraw/zinc/04/72/55/370047255.db2.gz HEXMIXIYISXLMG-INIZCTEOSA-N 1 0 273.376 3.137 50 0 CGAARO CC[N@H+](C)C(C)(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000089960832 370053938 /nfs/dbraw/zinc/05/39/38/370053938.db2.gz LLSZFFOKGAGKCT-UHFFFAOYSA-N 1 0 262.397 3.479 50 0 CGAARO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCSc3ccccc32)[nH]n1 ZINC000090528042 370061788 /nfs/dbraw/zinc/06/17/88/370061788.db2.gz GHZPKDDZQIWUFR-ABAIWWIYSA-N 1 0 287.432 3.476 50 0 CGAARO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000091440583 370074632 /nfs/dbraw/zinc/07/46/32/370074632.db2.gz NDKXBSLQJPRGFZ-LBPRGKRZSA-N 1 0 259.271 3.270 50 0 CGAARO c1cn(CC2CCC2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000095359859 370179200 /nfs/dbraw/zinc/17/92/00/370179200.db2.gz MSOYSEWGMRJLEA-INIZCTEOSA-N 1 0 296.418 3.462 50 0 CGAARO Cc1ccc(C)c(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000095368195 370179267 /nfs/dbraw/zinc/17/92/67/370179267.db2.gz DSRWLPQWDUDEDE-KRWDZBQOSA-N 1 0 288.435 3.184 50 0 CGAARO Cc1nnc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)n1C1CC1 ZINC000097110010 370225970 /nfs/dbraw/zinc/22/59/70/370225970.db2.gz XVPMPDGTNJZDNM-STQMWFEESA-N 1 0 284.407 3.203 50 0 CGAARO C[C@@H]1CC[C@H]([NH2+]CCc2nc(-c3ccco3)n[nH]2)C[C@@H]1C ZINC000097146594 370230848 /nfs/dbraw/zinc/23/08/48/370230848.db2.gz AOBJMBPFWZCSOA-AGIUHOORSA-N 1 0 288.395 3.022 50 0 CGAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203062 370232313 /nfs/dbraw/zinc/23/23/13/370232313.db2.gz GLTWMWNTKQQJOS-LBPRGKRZSA-N 1 0 273.355 3.489 50 0 CGAARO CCc1ccccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000097230596 370235640 /nfs/dbraw/zinc/23/56/40/370235640.db2.gz QJBUBNFTNOQOJF-HNNXBMFYSA-N 1 0 274.408 3.356 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)[nH]1 ZINC000097553371 370245065 /nfs/dbraw/zinc/24/50/65/370245065.db2.gz QKWWQGQPBFUCCH-HNNXBMFYSA-N 1 0 255.365 3.098 50 0 CGAARO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)c(-c2ccccc2)o1 ZINC000097572212 370247159 /nfs/dbraw/zinc/24/71/59/370247159.db2.gz QWQNMZBRJMDRTN-HNNXBMFYSA-N 1 0 298.386 3.031 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000095422576 370189837 /nfs/dbraw/zinc/18/98/37/370189837.db2.gz NTZRUHQFHQAWEP-MJBXVCDLSA-N 1 0 278.396 3.014 50 0 CGAARO C[C@@H]1C[NH+](Cc2cccc(NCc3cc[nH]c3)c2)C[C@@H](C)O1 ZINC000095429245 370191340 /nfs/dbraw/zinc/19/13/40/370191340.db2.gz USIYHOULQTUBDX-HUUCEWRRSA-N 1 0 299.418 3.236 50 0 CGAARO COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1NC(C)=O ZINC000095433934 370192836 /nfs/dbraw/zinc/19/28/36/370192836.db2.gz VBSONMZXBDEMSS-AWEZNQCLSA-N 1 0 288.391 3.100 50 0 CGAARO COCc1cccc(C[N@H+](C)[C@H](C)CSC)c1 ZINC000095432393 370192956 /nfs/dbraw/zinc/19/29/56/370192956.db2.gz AEMWABDAKDRWPO-GFCCVEGCSA-N 1 0 253.411 3.016 50 0 CGAARO C[C@H](C[NH2+]CCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000095452908 370196977 /nfs/dbraw/zinc/19/69/77/370196977.db2.gz JLXHHSYAWOVKBF-GFCCVEGCSA-N 1 0 277.799 3.009 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000095466598 370198291 /nfs/dbraw/zinc/19/82/91/370198291.db2.gz XRPWXTUCVVCVCM-RFQIPJPRSA-N 1 0 295.427 3.327 50 0 CGAARO Fc1ccc(OC2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000336837931 213744237 /nfs/dbraw/zinc/74/42/37/213744237.db2.gz OZSQADUNPQCDLV-AWEZNQCLSA-N 1 0 293.382 3.096 50 0 CGAARO Cc1ccc(-c2ccccc2CN2CC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000426399289 372157266 /nfs/dbraw/zinc/15/72/66/372157266.db2.gz VSGJWCVOOVDFNO-WMLDXEAASA-N 1 0 282.387 3.049 50 0 CGAARO CCn1ncnc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426412672 372158303 /nfs/dbraw/zinc/15/83/03/372158303.db2.gz FTBNOQUBBLYAAP-ZDUSSCGKSA-N 1 0 270.380 3.122 50 0 CGAARO CC1(C)CN(c2cc[nH+]c(CO)c2)C[C@H]1c1ccccc1 ZINC000426474485 372159797 /nfs/dbraw/zinc/15/97/97/372159797.db2.gz YYIVGSZKUZCBAE-KRWDZBQOSA-N 1 0 282.387 3.204 50 0 CGAARO CCn1nc(C)nc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426440219 372159944 /nfs/dbraw/zinc/15/99/44/372159944.db2.gz DJNVRCFBUXXWSF-ZDUSSCGKSA-N 1 0 284.407 3.430 50 0 CGAARO C[C@@H](c1ccc(-c2cc(=O)[nH]cn2)cc1)[NH+]1CCCC1 ZINC000426623349 372166098 /nfs/dbraw/zinc/16/60/98/372166098.db2.gz RLQOBPZAEPWDQM-LBPRGKRZSA-N 1 0 269.348 3.006 50 0 CGAARO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000095946232 284319042 /nfs/dbraw/zinc/31/90/42/284319042.db2.gz FZROXFBKPYYLSG-KBPBESRZSA-N 1 0 253.386 3.031 50 0 CGAARO CC(C)[C@@H]([NH2+]C[C@H](C)O)c1ccc(Cl)cc1F ZINC000170073202 372634499 /nfs/dbraw/zinc/63/44/99/372634499.db2.gz GJKJGKPHHRXXPV-TVQRCGJNSA-N 1 0 259.752 3.147 50 0 CGAARO Cc1nc(CN2CCS[C@@H](C(C)C)C2)cs1 ZINC000174338301 373295069 /nfs/dbraw/zinc/29/50/69/373295069.db2.gz KOQCLXCUOZICRP-GFCCVEGCSA-N 1 0 256.440 3.025 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCNC23CCC(C)CC3)cc1 ZINC000064459866 541888171 /nfs/dbraw/zinc/88/81/71/541888171.db2.gz AMCPVFFXIQMRFT-UHFFFAOYSA-N 1 0 299.462 3.425 50 0 biogenic CGAARO CCCCCc1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000299781182 373612454 /nfs/dbraw/zinc/61/24/54/373612454.db2.gz 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NNZQOXFGCHSCOJ-UHFFFAOYSA-N 1 0 299.414 3.405 50 0 CGAARO CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC000019633255 368758598 /nfs/dbraw/zinc/75/85/98/368758598.db2.gz GSOQSWZCSHCSIB-UHFFFAOYSA-N 1 0 275.223 3.377 50 0 CGAARO COc1cc(C[NH2+]CCc2ccccc2)cc(OC)c1 ZINC000019720518 368760462 /nfs/dbraw/zinc/76/04/62/368760462.db2.gz RTLCALKKZPGKNZ-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO CN(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000019743225 368762829 /nfs/dbraw/zinc/76/28/29/368762829.db2.gz JFMHLXYBSXRRKM-GOSISDBHSA-N 1 0 272.436 3.178 50 0 CGAARO CC[C@@H](C[NH2+]CCN(CC)CC)Oc1cccc(C)c1 ZINC000019737645 368762936 /nfs/dbraw/zinc/76/29/36/368762936.db2.gz XIBFYOXAKSLRIL-INIZCTEOSA-N 1 0 278.440 3.084 50 0 CGAARO Cc1cccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000019781581 368765637 /nfs/dbraw/zinc/76/56/37/368765637.db2.gz BKCWZWZIJGMTBH-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO CC[C@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019831774 368767949 /nfs/dbraw/zinc/76/79/49/368767949.db2.gz 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OWWJSZSZNZOMPT-UHFFFAOYSA-N 1 0 272.392 3.411 50 0 CGAARO NC(=O)CC[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000025697913 368851999 /nfs/dbraw/zinc/85/19/99/368851999.db2.gz IAXCAOTXOWQFTD-GOSISDBHSA-N 1 0 296.414 3.216 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000036096894 369008330 /nfs/dbraw/zinc/00/83/30/369008330.db2.gz BCQQMNPHAQYDSG-WMZOPIPTSA-N 1 0 293.451 3.321 50 0 CGAARO CCC[NH+](CCC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000036744626 369027083 /nfs/dbraw/zinc/02/70/83/369027083.db2.gz FTKNUMMHCTTZRA-UHFFFAOYSA-N 1 0 299.374 3.291 50 0 CGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000035009625 368988376 /nfs/dbraw/zinc/98/83/76/368988376.db2.gz ONINPYURHPLRND-NSHDSACASA-N 1 0 280.799 3.002 50 0 CGAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]C1Cc2ccccc2C1 ZINC000037156797 369073024 /nfs/dbraw/zinc/07/30/24/369073024.db2.gz IQMJACVRPBEKJS-QGZVFWFLSA-N 1 0 283.419 3.055 50 0 CGAARO C[C@@H](CNc1ncnc2ccsc21)C[NH+]1CCCCC1 ZINC000037999296 369137655 /nfs/dbraw/zinc/13/76/55/369137655.db2.gz YVGVYDLGCVNYSC-LBPRGKRZSA-N 1 0 290.436 3.225 50 0 CGAARO Cc1cc(OCCC2CC[NH2+]CC2)ccc1Cl ZINC000042772934 369230994 /nfs/dbraw/zinc/23/09/94/369230994.db2.gz BBDGHQYCJHPQKO-UHFFFAOYSA-N 1 0 253.773 3.417 50 0 CGAARO FC(F)(F)c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772788 369231187 /nfs/dbraw/zinc/23/11/87/369231187.db2.gz XVJMPLFEKJGTSE-LLVKDONJSA-N 1 0 273.298 3.474 50 0 CGAARO c1cnc2c(c1)cccc2OCC[C@@H]1CCC[NH2+]C1 ZINC000042773397 369232031 /nfs/dbraw/zinc/23/20/31/369232031.db2.gz XOEOKIRTLUPHKY-ZDUSSCGKSA-N 1 0 256.349 3.003 50 0 CGAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000051085499 369446453 /nfs/dbraw/zinc/44/64/53/369446453.db2.gz FHSLXCSESBHZGQ-KRWDZBQOSA-N 1 0 289.325 3.057 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c(OC)c1 ZINC000050268035 369433212 /nfs/dbraw/zinc/43/32/12/369433212.db2.gz YLSUYFXPYHEORI-OCCSQVGLSA-N 1 0 277.364 3.047 50 0 CGAARO Cc1ccc(F)c(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000053962324 369491858 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369630253 /nfs/dbraw/zinc/63/02/53/369630253.db2.gz KJIKOXAJYCHFED-NSHDSACASA-N 1 0 254.171 3.134 50 0 CGAARO Cc1ccc2c(c1)c(C[NH2+]C1Cc3ccccc3C1)nn2C ZINC000065404924 369673819 /nfs/dbraw/zinc/67/38/19/369673819.db2.gz HNRZACBQGVCQHV-UHFFFAOYSA-N 1 0 291.398 3.139 50 0 CGAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCCNc1cccnc1)C2 ZINC000065407928 369674310 /nfs/dbraw/zinc/67/43/10/369674310.db2.gz BZJIXHZCQFFFAY-QGZVFWFLSA-N 1 0 281.403 3.031 50 0 CGAARO C(=C/c1ccccc1)\CN1CCC([NH+]2CCCC2)CC1 ZINC000065592264 369684291 /nfs/dbraw/zinc/68/42/91/369684291.db2.gz CGCSKQDXZWMWNG-RMKNXTFCSA-N 1 0 270.420 3.260 50 0 CGAARO C[C@H](COc1ccccc1)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000067695670 369726229 /nfs/dbraw/zinc/72/62/29/369726229.db2.gz OZGJMHTYFHKSKE-CQSZACIVSA-N 1 0 299.418 3.236 50 0 CGAARO CO[C@@H](C[NH2+]Cc1c[nH]nc1C(C)(C)C)c1ccccc1 ZINC000071821857 369812153 /nfs/dbraw/zinc/81/21/53/369812153.db2.gz BKTPLDZMMNGPBU-HNNXBMFYSA-N 1 0 287.407 3.185 50 0 CGAARO CC[C@H](Cn1ccnc1-c1ccc(C)cc1OC)[NH+](C)C 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165299996 /nfs/dbraw/zinc/29/99/96/165299996.db2.gz LOUFPGHLIUQVQE-UHFFFAOYSA-N 1 0 269.392 3.222 50 0 CGAARO C[NH+](C)CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002360285 169787542 /nfs/dbraw/zinc/78/75/42/169787542.db2.gz XEIWUJMFSTXVJJ-UHFFFAOYSA-N 1 0 282.387 3.035 50 0 CGAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000002694399 169820662 /nfs/dbraw/zinc/82/06/62/169820662.db2.gz GSORGCKTOGAQPD-HOTGVXAUSA-N 1 0 291.435 3.426 50 0 CGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCC2)c2ccccc12 ZINC000004189293 169942637 /nfs/dbraw/zinc/94/26/37/169942637.db2.gz OBSQAWMJVSVVPQ-INIZCTEOSA-N 1 0 286.419 3.151 50 0 CGAARO Cc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000004724692 170005860 /nfs/dbraw/zinc/00/58/60/170005860.db2.gz ZOIOSRMJPWFXBU-UHFFFAOYSA-N 1 0 282.387 3.456 50 0 CGAARO O[C@]1(c2ccccc2)CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000004828148 170024838 /nfs/dbraw/zinc/02/48/38/170024838.db2.gz NYYZELOAEDIUSR-IAGOWNOFSA-N 1 0 259.393 3.303 50 0 CGAARO COc1ccc(OCC[N@H+](C)C2CCCCC2)cc1 ZINC000004978579 170048212 /nfs/dbraw/zinc/04/82/12/170048212.db2.gz HQFGGPVZDGGAQZ-UHFFFAOYSA-N 1 0 263.381 3.339 50 0 CGAARO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000004989377 170049833 /nfs/dbraw/zinc/04/98/33/170049833.db2.gz VPYIBXONAYEZTD-STQMWFEESA-N 1 0 263.381 3.182 50 0 CGAARO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000004993277 170051112 /nfs/dbraw/zinc/05/11/12/170051112.db2.gz MZTPZIHLTIBDAY-UHFFFAOYSA-N 1 0 292.382 3.435 50 0 CGAARO Cc1cccc(C)c1OCCOCC[NH2+]C(C)(C)C ZINC000005756083 170137557 /nfs/dbraw/zinc/13/75/57/170137557.db2.gz IOQQXDOLONZTMW-UHFFFAOYSA-N 1 0 265.397 3.087 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000006744086 170238858 /nfs/dbraw/zinc/23/88/58/170238858.db2.gz QKNYKKGZMVNWIS-SFHVURJKSA-N 1 0 299.414 3.435 50 0 CGAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OC ZINC000006882504 170252059 /nfs/dbraw/zinc/25/20/59/170252059.db2.gz DPGVYTOPCQXZFW-UHFFFAOYSA-N 1 0 257.761 3.245 50 0 CGAARO C[C@@H](C(=O)Nc1ccccc1F)[NH+]1CCCCCC1 ZINC000007378093 170280895 /nfs/dbraw/zinc/28/08/95/170280895.db2.gz FLVPWMROJNKXNQ-LBPRGKRZSA-N 1 0 264.344 3.029 50 0 CGAARO C[NH+](C)C1(CNC(=O)Nc2ccccc2)CCCCCC1 ZINC000008728855 170350289 /nfs/dbraw/zinc/35/02/89/170350289.db2.gz KBQAUOHQEPPMGN-UHFFFAOYSA-N 1 0 289.423 3.463 50 0 CGAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000010434823 170406698 /nfs/dbraw/zinc/40/66/98/170406698.db2.gz WQOZKGHCJGQRLQ-KFWWJZLASA-N 1 0 285.472 3.357 50 0 CGAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020149668 171037374 /nfs/dbraw/zinc/03/73/74/171037374.db2.gz JQBICXMYJLPVHO-SJLPKXTDSA-N 1 0 272.436 3.383 50 0 CGAARO CCOc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1O ZINC000020175806 171041912 /nfs/dbraw/zinc/04/19/12/171041912.db2.gz YZWVROHTDHPKNY-UHFFFAOYSA-N 1 0 283.371 3.048 50 0 CGAARO C[C@H]([NH2+]Cc1cc(Br)cs1)[C@H]1CCCO1 ZINC000020475181 171219325 /nfs/dbraw/zinc/21/93/25/171219325.db2.gz CGDLPVHEMZFSMB-GZMMTYOYSA-N 1 0 290.226 3.168 50 0 CGAARO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000020543385 171242588 /nfs/dbraw/zinc/24/25/88/171242588.db2.gz RVVDRSVIQQXSAS-YWPYICTPSA-N 1 0 269.816 3.268 50 0 CGAARO Fc1ccccc1CN1c2ccccc2N2CCC[NH+]=C12 ZINC000020890248 171278325 /nfs/dbraw/zinc/27/83/25/171278325.db2.gz MWJOSAXBARNMNV-UHFFFAOYSA-N 1 0 281.334 3.412 50 0 CGAARO CC(C)(C)OC(=O)NCc1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000022015155 171349516 /nfs/dbraw/zinc/34/95/16/171349516.db2.gz QUWUPOKGMPSLFN-CYBMUJFWSA-N 1 0 290.407 3.178 50 0 CGAARO CC(C)(C)OC(=O)NCc1ccccc1[C@H]1CCC[NH2+]C1 ZINC000022015161 171349702 /nfs/dbraw/zinc/34/97/02/171349702.db2.gz QUWUPOKGMPSLFN-ZDUSSCGKSA-N 1 0 290.407 3.178 50 0 CGAARO COc1ccccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000023283417 171419173 /nfs/dbraw/zinc/41/91/73/171419173.db2.gz YHBHOUYJBLKKRD-QGZVFWFLSA-N 1 0 267.372 3.342 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCc3ccccc3C2)cc(OC)c1 ZINC000023283004 171419458 /nfs/dbraw/zinc/41/94/58/171419458.db2.gz YKNLGOPBXVCKRG-QGZVFWFLSA-N 1 0 297.398 3.351 50 0 CGAARO O[C@H](C[NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000035535625 172243390 /nfs/dbraw/zinc/24/33/90/172243390.db2.gz KGVMWXOXZIZYGK-CGQZWFTASA-N 1 0 253.345 3.023 50 0 CGAARO CC(C)NC(=O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000037262852 173072768 /nfs/dbraw/zinc/07/27/68/173072768.db2.gz OKGLBPLVMYOODE-OAHLLOKOSA-N 1 0 280.437 3.094 50 0 CGAARO c1nc(C[NH2+]CCSc2ccccc2)cs1 ZINC000040421117 174257934 /nfs/dbraw/zinc/25/79/34/174257934.db2.gz XXHNQOFQXYXNLA-UHFFFAOYSA-N 1 0 250.392 3.025 50 0 CGAARO Fc1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042772268 174871628 /nfs/dbraw/zinc/87/16/28/174871628.db2.gz XMATVLIGUZWTOH-UHFFFAOYSA-N 1 0 257.736 3.248 50 0 CGAARO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000046054576 175391173 /nfs/dbraw/zinc/39/11/73/175391173.db2.gz WNAJESNRSHUEAY-AAEUAGOBSA-N 1 0 261.369 3.102 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000046088671 175392399 /nfs/dbraw/zinc/39/23/99/175392399.db2.gz WXEWLRCQPDLAAV-DZGCQCFKSA-N 1 0 292.448 3.144 50 0 CGAARO C[C@@H](CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000046408539 175396088 /nfs/dbraw/zinc/39/60/88/175396088.db2.gz VYINIZWZBHTIDT-AWEZNQCLSA-N 1 0 282.387 3.054 50 0 CGAARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1 ZINC000058173428 175609896 /nfs/dbraw/zinc/60/98/96/175609896.db2.gz PTUPAHQJIFGEQK-UHFFFAOYSA-N 1 0 297.402 3.412 50 0 CGAARO Cc1cc(C)cc(C[NH+]2CC(c3ccccn3)C2)c1 ZINC000072156827 176328983 /nfs/dbraw/zinc/32/89/83/176328983.db2.gz QVJFDNFBHSFAOR-UHFFFAOYSA-N 1 0 252.361 3.298 50 0 CGAARO CC(C)[N@@H+]1CCCC[C@H]1CCc1cc(Cl)ncn1 ZINC000072343868 176372216 /nfs/dbraw/zinc/37/22/16/176372216.db2.gz TUQOUPSNQYLMEA-ZDUSSCGKSA-N 1 0 267.804 3.326 50 0 CGAARO O[C@@H](CCc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000077375129 177260131 /nfs/dbraw/zinc/26/01/31/177260131.db2.gz UCWCRENWYWHGJT-IBGZPJMESA-N 1 0 296.414 3.292 50 0 CGAARO O=c1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)nc2ccccc21 ZINC000685939502 544110280 /nfs/dbraw/zinc/11/02/80/544110280.db2.gz VGKOIFXVVWYIKY-XJKSGUPXSA-N 1 0 297.402 3.490 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576957 260189401 /nfs/dbraw/zinc/18/94/01/260189401.db2.gz UBKKWOVEKSDLMR-MRVPVSSYSA-N 1 0 260.150 3.476 50 0 CGAARO Cc1nc2sccn2c1CN(C)[C@@H](C)c1ccccn1 ZINC000065427736 260242614 /nfs/dbraw/zinc/24/26/14/260242614.db2.gz KZEYIPDYQDCNQD-LBPRGKRZSA-N 1 0 286.404 3.292 50 0 CGAARO C[N@H+](Cc1ccc(CO)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000272387287 263003841 /nfs/dbraw/zinc/00/38/41/263003841.db2.gz CLPZHVGLELNZED-UHFFFAOYSA-N 1 0 295.304 3.228 50 0 CGAARO CCOC(=O)CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000096601968 265376083 /nfs/dbraw/zinc/37/60/83/265376083.db2.gz RERPXDUOQSGNRO-UHFFFAOYSA-N 1 0 295.810 3.473 50 0 CGAARO Cc1ccc(C)c(N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000023281912 266023288 /nfs/dbraw/zinc/02/32/88/266023288.db2.gz YUZIFQHHKORSDI-UHFFFAOYSA-N 1 0 296.414 3.331 50 0 CGAARO C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000757180 274311787 /nfs/dbraw/zinc/31/17/87/274311787.db2.gz MVZYFQAJTIFKAW-ZIAGYGMSSA-N 1 0 262.372 3.136 50 0 CGAARO Cc1cc(C)c2c3ccccc3n(CCC[NH3+])c2n1 ZINC000004913927 274688166 /nfs/dbraw/zinc/68/81/66/274688166.db2.gz UVZFJZAURUBTRS-UHFFFAOYSA-N 1 0 253.349 3.155 50 0 CGAARO Clc1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000039953910 274879960 /nfs/dbraw/zinc/87/99/60/274879960.db2.gz KSVSSDQQJQNFNG-UHFFFAOYSA-N 1 0 290.588 3.233 50 0 CGAARO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)OC1CCCCCC1 ZINC000230214444 275392578 /nfs/dbraw/zinc/39/25/78/275392578.db2.gz ZKDQOVMVDUPNEY-SJORKVTESA-N 1 0 281.440 3.369 50 0 CGAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000222114029 276681706 /nfs/dbraw/zinc/68/17/06/276681706.db2.gz STYHYTLKJRDBJI-VKJFTORMSA-N 1 0 271.470 3.379 50 0 CGAARO C[N@@H+]1CCO[C@H](c2ccccc2)c2ccccc2C1 ZINC000000120186 277128404 /nfs/dbraw/zinc/12/84/04/277128404.db2.gz RGPDEAGGEXEMMM-QGZVFWFLSA-N 1 0 253.345 3.238 50 0 world CGAARO C[NH2+]CCOc1cccc(C[C@@H]2COc3ccccc3C2)c1 ZINC000091745965 277272800 /nfs/dbraw/zinc/27/28/00/277272800.db2.gz KPQFAGRGYWJAJG-INIZCTEOSA-N 1 0 297.398 3.079 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000019300582 277394599 /nfs/dbraw/zinc/39/45/99/277394599.db2.gz KWBPKDVQTDDUMU-QGZVFWFLSA-N 1 0 287.334 3.078 50 0 biogenic CGAARO COc1c[nH]c(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1=O ZINC000244816855 278072130 /nfs/dbraw/zinc/07/21/30/278072130.db2.gz SPRZDUFCRIIADA-INIZCTEOSA-N 1 0 298.386 3.305 50 0 CGAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000000757085 278301404 /nfs/dbraw/zinc/30/14/04/278301404.db2.gz UPGAKBQSTUYKIB-NFOMZHRRSA-N 1 0 253.430 3.296 50 0 CGAARO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1-n1cccn1 ZINC000075094157 278348596 /nfs/dbraw/zinc/34/85/96/278348596.db2.gz FHGJGIVHNBJBDC-HUUCEWRRSA-N 1 0 285.391 3.092 50 0 CGAARO CC1(C)OC[C@@H]([NH+]2CCCCC2)[C@H](c2ccccc2)O1 ZINC000095918095 278417395 /nfs/dbraw/zinc/41/73/95/278417395.db2.gz NYILHNFZMOENDP-CVEARBPZSA-N 1 0 275.392 3.365 50 0 CGAARO CC1=C[C@@H](C)C2(COC(C[NH+]3CCCCC3)OC2)[C@H](C)C1 ZINC000000238661 278503982 /nfs/dbraw/zinc/50/39/82/278503982.db2.gz OZHBBEXUFVAWPO-MRLCAUJQSA-N 1 0 293.451 3.454 50 0 CGAARO CC[NH+]1CCC(N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000230136413 279258695 /nfs/dbraw/zinc/25/86/95/279258695.db2.gz MCSMIHDZYAGZDX-GDBMZVCRSA-N 1 0 250.430 3.125 50 0 CGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000095423629 281355715 /nfs/dbraw/zinc/35/57/15/281355715.db2.gz STYHYTLKJRDBJI-DAYGRLMNSA-N 1 0 271.470 3.379 50 0 CGAARO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000237359412 281396812 /nfs/dbraw/zinc/39/68/12/281396812.db2.gz OONKTZZHPYQJPQ-KGLIPLIRSA-N 1 0 298.386 3.065 50 0 CGAARO Cc1csc(C2([NH2+][C@H](C)C3CCOCC3)CCC2)n1 ZINC000170067323 293027688 /nfs/dbraw/zinc/02/76/88/293027688.db2.gz NPYPKTVZTLFVNY-GFCCVEGCSA-N 1 0 280.437 3.235 50 0 CGAARO Cc1n[nH]c(C)c1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000290162795 293099083 /nfs/dbraw/zinc/09/90/83/293099083.db2.gz LZFNOKLOFFEYHH-UHFFFAOYSA-N 1 0 285.391 3.200 50 0 CGAARO Cc1cc(C[NH2+]C[C@H](O)c2ccco2)ccc1Cl ZINC000096500115 533701059 /nfs/dbraw/zinc/70/10/59/533701059.db2.gz PUFFPVXYUZHSDD-ZDUSSCGKSA-N 1 0 265.740 3.065 50 0 CGAARO Cc1cccc2oc(C[NH2+]C3CSCCSC3)nc21 ZINC000534584682 328314645 /nfs/dbraw/zinc/31/46/45/328314645.db2.gz HBKYGIOYPQUYFX-UHFFFAOYSA-N 1 0 294.445 3.074 50 0 CGAARO C/C=C(\C)C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000426544918 330511860 /nfs/dbraw/zinc/51/18/60/330511860.db2.gz PCKWDLVGQMKGRX-PWTCPNTCSA-N 1 0 298.430 3.091 50 0 CGAARO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000390833383 523958312 /nfs/dbraw/zinc/95/83/12/523958312.db2.gz GTTKPWOTVYUTGG-JMSVASOKSA-N 1 0 283.799 3.042 50 0 CGAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cccn1CCC(C)C ZINC000170601618 527974442 /nfs/dbraw/zinc/97/44/42/527974442.db2.gz LDHXRXKGOUSNLR-CABCVRRESA-N 1 0 294.439 3.212 50 0 CGAARO CCOc1ccc2ccccc2c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097743636 528623916 /nfs/dbraw/zinc/62/39/16/528623916.db2.gz RRCTXOJFZXGLOM-UHFFFAOYSA-N 1 0 293.370 3.274 50 0 CGAARO CC(C)C[N@@H+]1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C ZINC000299872871 567889022 /nfs/dbraw/zinc/88/90/22/567889022.db2.gz XQQQNSXVHJHKJP-ZMSDIMECSA-N 1 0 261.409 3.261 50 0 CGAARO CCc1cc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)[nH]n1 ZINC000952966835 615650630 /nfs/dbraw/zinc/65/06/30/615650630.db2.gz FHRVXWDNFHQCQW-ZDUSSCGKSA-N 1 0 295.390 3.009 50 0 CGAARO CCc1nc(C)c([C@H](C)N(C)Cc2cccnc2N)s1 ZINC000952963341 615737689 /nfs/dbraw/zinc/73/76/89/615737689.db2.gz HEHVRGCBETXJFE-NSHDSACASA-N 1 0 290.436 3.184 50 0 CGAARO CC[C@H]1C=CC[N@@H+]1C1CCN(C(=O)c2cccs2)CC1 ZINC000952979090 615877093 /nfs/dbraw/zinc/87/70/93/615877093.db2.gz UMQCOQHJKCJLNW-ZDUSSCGKSA-N 1 0 290.432 3.003 50 0 CGAARO C[N@@H+]1CC[C@@](C)(CNCc2[nH]c3ccccc3c2Cl)C1 ZINC000952963020 616347285 /nfs/dbraw/zinc/34/72/85/616347285.db2.gz HBCWEVCHUPOWEA-INIZCTEOSA-N 1 0 291.826 3.253 50 0 CGAARO Fc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002497094 618169734 /nfs/dbraw/zinc/16/97/34/618169734.db2.gz OOYPUTQLOABWAG-UHFFFAOYSA-N 1 0 251.345 3.471 50 0 CGAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc1 ZINC000022587915 618241712 /nfs/dbraw/zinc/24/17/12/618241712.db2.gz RMIYJCRPEXMDGJ-CRAIPNDOSA-N 1 0 272.436 3.479 50 0 CGAARO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CC12CC2 ZINC000888095927 619259543 /nfs/dbraw/zinc/25/95/43/619259543.db2.gz FJKGOEOVPPVXSO-WCQYABFASA-N 1 0 269.348 3.015 50 0 CGAARO O=C1CC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098116 619260063 /nfs/dbraw/zinc/26/00/63/619260063.db2.gz ADFUNGLXNRMLDT-SJORKVTESA-N 1 0 286.419 3.176 50 0 CGAARO C[C@@H]([NH2+]CCCC1(O)CCC1)C(C)(C)C(=O)OC(C)(C)C ZINC000888098866 619260347 /nfs/dbraw/zinc/26/03/47/619260347.db2.gz PUFPEEYLEZRHGK-CYBMUJFWSA-N 1 0 299.455 3.028 50 0 CGAARO CCc1ccccc1NC(=O)CC[NH+]1CCC(F)CC1 ZINC000252505506 619391231 /nfs/dbraw/zinc/39/12/31/619391231.db2.gz VSARVQOOVOEPAA-UHFFFAOYSA-N 1 0 278.371 3.012 50 0 CGAARO Cc1cc(N[C@H](C)c2ccccc2Cl)nc(N)[nH+]1 ZINC000043532811 622319235 /nfs/dbraw/zinc/31/92/35/622319235.db2.gz SDFVWIXTKIJQPJ-SECBINFHSA-N 1 0 262.744 3.194 50 0 CGAARO O=C1C[C@H]([NH2+]Cc2ccsc2)CN1C1CCCCCC1 ZINC000012387500 626070041 /nfs/dbraw/zinc/07/00/41/626070041.db2.gz GOAZSHNQNDTNLF-AWEZNQCLSA-N 1 0 292.448 3.161 50 0 CGAARO Cc1n[nH]cc1C[N@@H+](C)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000952988467 636777955 /nfs/dbraw/zinc/77/79/55/636777955.db2.gz MDOAXYPIRHLCAQ-GJZGRUSLSA-N 1 0 259.397 3.142 50 0 CGAARO OC[C@H]([NH2+]C1CCC2(CSC2)CC1)c1ccc(F)cc1 ZINC000952995257 636778685 /nfs/dbraw/zinc/77/86/85/636778685.db2.gz GJUHHWHIHQBLDC-HNNXBMFYSA-N 1 0 295.423 3.125 50 0 CGAARO C(=C\c1ccco1)\C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000886009066 637357691 /nfs/dbraw/zinc/35/76/91/637357691.db2.gz WTYXUARGCFYTMV-XSHSDMCLSA-N 1 0 269.344 3.134 50 0 CGAARO CC(C)COc1ccccc1C[NH2+][C@H](C)c1ccnn1C ZINC000192712955 640400131 /nfs/dbraw/zinc/40/01/31/640400131.db2.gz QJQSLLHWQYDORT-CQSZACIVSA-N 1 0 287.407 3.306 50 0 CGAARO CCN(CC[NH2+][C@H]1CCCc2c(OC)cccc21)C1CC1 ZINC000194878446 640558763 /nfs/dbraw/zinc/55/87/63/640558763.db2.gz LCFQFFJOPBMPNE-KRWDZBQOSA-N 1 0 288.435 3.147 50 0 CGAARO FC(F)(F)c1ccc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC000096166263 640823450 /nfs/dbraw/zinc/82/34/50/640823450.db2.gz INPHXXQBKKAIIR-UHFFFAOYSA-N 1 0 264.250 3.371 50 0 CGAARO CC1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000000757782 640927612 /nfs/dbraw/zinc/92/76/12/640927612.db2.gz SNUYWMYNMJAQHA-UHFFFAOYSA-N 1 0 258.409 3.387 50 0 CGAARO CCCNC(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000581788079 799674674 /nfs/dbraw/zinc/67/46/74/799674674.db2.gz RXMYKNHYCRNKKG-INIZCTEOSA-N 1 0 295.471 3.083 50 0 CGAARO COCC[C@@H](C)[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000585118589 799677984 /nfs/dbraw/zinc/67/79/84/799677984.db2.gz VGYCBEFIMQHYPA-SECBINFHSA-N 1 0 284.812 3.464 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)c1nnc(Cc2cccs2)[nH]1 ZINC000822182760 800459716 /nfs/dbraw/zinc/45/97/16/800459716.db2.gz RHVRTIPEZXEMMT-GFCCVEGCSA-N 1 0 290.436 3.046 50 0 CGAARO CCn1ccc2ccc(C[N@H+](C)C[C@H]3CCOC3)cc21 ZINC000823587781 800468016 /nfs/dbraw/zinc/46/80/16/800468016.db2.gz BZYUZSZKGDKEIM-OAHLLOKOSA-N 1 0 272.392 3.130 50 0 CGAARO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000952846244 800684960 /nfs/dbraw/zinc/68/49/60/800684960.db2.gz RSMVYEJVNGFRQA-HNNXBMFYSA-N 1 0 260.381 3.055 50 0 CGAARO CC(C)n1nc(Cc2c(Cl)cccc2Cl)nc1C[NH3+] ZINC000952873526 800685736 /nfs/dbraw/zinc/68/57/36/800685736.db2.gz LEUSPVJFDWDCQT-UHFFFAOYSA-N 1 0 299.205 3.215 50 0 CGAARO CCc1nc(C[NH2+][C@H](CC)Cc2ccco2)cs1 ZINC000952874114 800685784 /nfs/dbraw/zinc/68/57/84/800685784.db2.gz WFHDJRXRMWXEPO-LLVKDONJSA-N 1 0 264.394 3.409 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1cnccc1Cl ZINC000952873514 800685811 /nfs/dbraw/zinc/68/58/11/800685811.db2.gz XWVCUBDKQWEBBZ-ZDUSSCGKSA-N 1 0 281.831 3.041 50 0 CGAARO CC(=O)N1CC[NH+](CCC2=C(C)CCCC2(C)C)CC1 ZINC000023280965 926834492 /nfs/dbraw/zinc/83/44/92/926834492.db2.gz MCFXHPJBMJWAQM-UHFFFAOYSA-N 1 0 278.440 3.067 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000409421083 932025409 /nfs/dbraw/zinc/02/54/09/932025409.db2.gz FWFMWDVEHHPBKX-CQSZACIVSA-N 1 0 299.374 3.139 50 0 CGAARO COCC1(C[NH2+]Cc2cc(C)cc(C)c2OC)CCC1 ZINC001506397295 937989585 /nfs/dbraw/zinc/98/95/85/937989585.db2.gz ASPPHAJQCBNEKU-UHFFFAOYSA-N 1 0 277.408 3.218 50 0 CGAARO Cc1ccnn1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001506416785 937989932 /nfs/dbraw/zinc/98/99/32/937989932.db2.gz GJWWDFVYGWJMAB-MRXNPFEDSA-N 1 0 255.365 3.029 50 0 CGAARO CCCc1cnc(C)nc1NC1CC[NH+](C(C)C)CC1 ZINC001529119490 938071053 /nfs/dbraw/zinc/07/10/53/938071053.db2.gz XFCRTEADINANAW-UHFFFAOYSA-N 1 0 276.428 3.022 50 0 CGAARO Cc1ccc(OC[C@@H]2CCC[N@H+](CCc3ncc[nH]3)C2)cc1 ZINC001529186468 938071625 /nfs/dbraw/zinc/07/16/25/938071625.db2.gz FWUYOPRJHIVUNC-MRXNPFEDSA-N 1 0 299.418 3.052 50 0 CGAARO CC[N@H+](CCCOCc1ccccc1)C[C@@H]1CCCCO1 ZINC001529188839 938071664 /nfs/dbraw/zinc/07/16/64/938071664.db2.gz DURKWOHYAFQHQU-SFHVURJKSA-N 1 0 291.435 3.484 50 0 CGAARO Cc1ncsc1C[NH2+]C[C@H](C)c1nc2ccccc2o1 ZINC000096446425 230374618 /nfs/dbraw/zinc/37/46/18/230374618.db2.gz PNPZLDRTZVGILS-JTQLQIEISA-N 1 0 287.388 3.486 50 0 CGAARO CCn1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000096456823 230377542 /nfs/dbraw/zinc/37/75/42/230377542.db2.gz RGQDIIRDWZXINF-PXAZEXFGSA-N 1 0 287.382 3.455 50 0 CGAARO c1ccc(C(c2ccccc2)N2CC3(C2)CC[NH2+]C3)cc1 ZINC000095644170 185017191 /nfs/dbraw/zinc/01/71/91/185017191.db2.gz SYMQBAASXLKRNK-UHFFFAOYSA-N 1 0 278.399 3.071 50 0 CGAARO C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[N@@H+](C2CC2)CC1 ZINC000095963279 185044262 /nfs/dbraw/zinc/04/42/62/185044262.db2.gz NPERUCVYNRMBNC-CYBMUJFWSA-N 1 0 291.439 3.203 50 0 CGAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000095968418 185047146 /nfs/dbraw/zinc/04/71/46/185047146.db2.gz BOYKPAVMERISQT-UXLLHSPISA-N 1 0 261.409 3.067 50 0 CGAARO Cc1cc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c(C)s1 ZINC000095969272 185047740 /nfs/dbraw/zinc/04/77/40/185047740.db2.gz MAQRPPCGCKRLKB-OCCSQVGLSA-N 1 0 283.437 3.211 50 0 CGAARO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Cl)s1 ZINC000095969279 185047774 /nfs/dbraw/zinc/04/77/74/185047774.db2.gz VCNBGGNEFAJEJT-GHMZBOCLSA-N 1 0 289.828 3.248 50 0 CGAARO C[C@H](CO)[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968678 185048188 /nfs/dbraw/zinc/04/81/88/185048188.db2.gz NCPNPNNHBYPELA-RKDXNWHRSA-N 1 0 261.337 3.033 50 0 CGAARO CCCn1nc(C2CC2)nc1CCC[NH+]1CCCCCC1 ZINC000096141391 185106783 /nfs/dbraw/zinc/10/67/83/185106783.db2.gz ITMYJPGPONBEHD-UHFFFAOYSA-N 1 0 290.455 3.374 50 0 CGAARO C[N@H+](CC(=O)Nc1c(F)cccc1F)C1CCCCC1 ZINC000007786551 529837114 /nfs/dbraw/zinc/83/71/14/529837114.db2.gz IUCQJPBQNOEDJX-UHFFFAOYSA-N 1 0 282.334 3.168 50 0 CGAARO CC(C)[C@H](CNc1cnc2ccccc2n1)[NH+]1CCCC1 ZINC000059420399 345208046 /nfs/dbraw/zinc/20/80/46/345208046.db2.gz XNDSOMJSSXXQPI-INIZCTEOSA-N 1 0 284.407 3.162 50 0 CGAARO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000076192488 345538600 /nfs/dbraw/zinc/53/86/00/345538600.db2.gz AWTYOSFWYWEANL-HZMBPMFUSA-N 1 0 253.773 3.104 50 0 CGAARO CN(C)c1cccc(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000078757945 345621705 /nfs/dbraw/zinc/62/17/05/345621705.db2.gz PSSULDSQBWEYSL-UHFFFAOYSA-N 1 0 258.340 3.182 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000078897455 345623638 /nfs/dbraw/zinc/62/36/38/345623638.db2.gz WYIBHVWCGRCGRB-YOEHRIQHSA-N 1 0 288.435 3.040 50 0 CGAARO CC(C)(C)c1cn2c(n1)[C@@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000089725151 345773824 /nfs/dbraw/zinc/77/38/24/345773824.db2.gz JZWZTZAIRSISJZ-OAHLLOKOSA-N 1 0 298.434 3.243 50 0 CGAARO Cc1ccoc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000097102541 345907076 /nfs/dbraw/zinc/90/70/76/345907076.db2.gz CQRYMUYCMUOVOT-UKRRQHHQSA-N 1 0 259.349 3.362 50 0 CGAARO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccncc2)c1 ZINC000097370704 345907762 /nfs/dbraw/zinc/90/77/62/345907762.db2.gz XZDKFNLJXUBERP-CQSZACIVSA-N 1 0 297.402 3.494 50 0 CGAARO CC1(C)CCCC[C@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000119785449 345995455 /nfs/dbraw/zinc/99/54/55/345995455.db2.gz BDWNUELHYXDPIC-GFCCVEGCSA-N 1 0 275.352 3.388 50 0 CGAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CCSCC1 ZINC000170057697 346193382 /nfs/dbraw/zinc/19/33/82/346193382.db2.gz QTHQSRZSGQMOFL-NHYWBVRUSA-N 1 0 283.412 3.123 50 0 CGAARO CCS[C@H]1CC[C@]1(O)C[NH2+]CC1CCC(C)CC1 ZINC000170591152 346194401 /nfs/dbraw/zinc/19/44/01/346194401.db2.gz DTHXYFOFIHKZSV-WUCCLRPBSA-N 1 0 271.470 3.049 50 0 CGAARO O=C(OCc1ccccc1F)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000170609448 346194978 /nfs/dbraw/zinc/19/49/78/346194978.db2.gz CUHDTNVLUVLMKZ-INIZCTEOSA-N 1 0 291.366 3.276 50 0 CGAARO C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)OC1CCCCCC1 ZINC000170632634 346196449 /nfs/dbraw/zinc/19/64/49/346196449.db2.gz ZKDQOVMVDUPNEY-IRXDYDNUSA-N 1 0 281.440 3.369 50 0 CGAARO c1cn(C[C@@H]2CCC[N@@H+]2Cc2coc3ccccc23)cn1 ZINC000188401618 346262019 /nfs/dbraw/zinc/26/20/19/346262019.db2.gz QLGBKBAQZLCVCL-HNNXBMFYSA-N 1 0 281.359 3.294 50 0 CGAARO C[C@@H](C[NH2+]CCc1ccnn1C)c1cccc(Cl)c1 ZINC000195573540 346274796 /nfs/dbraw/zinc/27/47/96/346274796.db2.gz XBQXXFVCJOWXDH-LBPRGKRZSA-N 1 0 277.799 3.009 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1ccc2c(ccn2C)c1 ZINC000230529326 346321295 /nfs/dbraw/zinc/32/12/95/346321295.db2.gz QZFXEHOHWLYLLM-INIZCTEOSA-N 1 0 299.462 3.485 50 0 CGAARO O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1F ZINC000247359417 346370203 /nfs/dbraw/zinc/37/02/03/346370203.db2.gz DPLMPMVENAIFMV-KBPBESRZSA-N 1 0 290.382 3.276 50 0 CGAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000253370241 346394309 /nfs/dbraw/zinc/39/43/09/346394309.db2.gz ODDRWAQINKKTBV-BVPBIZIASA-N 1 0 289.419 3.261 50 0 CGAARO CC(C)(CCO)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000585137237 346725241 /nfs/dbraw/zinc/72/52/41/346725241.db2.gz NOQNIUPEMYURHZ-UHFFFAOYSA-N 1 0 298.839 3.448 50 0 CGAARO Clc1cccc2sc(OC3CC[NH2+]CC3)nc21 ZINC000061957895 282536299 /nfs/dbraw/zinc/53/62/99/282536299.db2.gz ZHGZXOKIJKCLDW-UHFFFAOYSA-N 1 0 268.769 3.081 50 0 CGAARO Cc1ccccc1Cc1nnc(C[NH2+][C@@H](C)C(C)(C)C)o1 ZINC000128835283 187393061 /nfs/dbraw/zinc/39/30/61/187393061.db2.gz VNIGVTCBIVJJBI-ZDUSSCGKSA-N 1 0 287.407 3.493 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000108115413 186205095 /nfs/dbraw/zinc/20/50/95/186205095.db2.gz GGQIVFYLAWPICE-MCIONIFRSA-N 1 0 294.464 3.482 50 0 CGAARO C[C@H](CCc1ccco1)[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000271476132 191160492 /nfs/dbraw/zinc/16/04/92/191160492.db2.gz MPOXFVOQCGDZGW-WBMJQRKESA-N 1 0 277.339 3.063 50 0 CGAARO C[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2ccsc2S1 ZINC000183578850 291084202 /nfs/dbraw/zinc/08/42/02/291084202.db2.gz SINFCWVGKJLFSX-MEWQQHAOSA-N 1 0 281.446 3.200 50 0 CGAARO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1ccccc1F ZINC000180979909 189285436 /nfs/dbraw/zinc/28/54/36/189285436.db2.gz NFYHNHRRTOZLOT-OAHLLOKOSA-N 1 0 281.371 3.062 50 0 CGAARO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000182784395 189334817 /nfs/dbraw/zinc/33/48/17/189334817.db2.gz JEQRKGAZQHWRDD-NVXWUHKLSA-N 1 0 269.392 3.151 50 0 CGAARO CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000000053713 368278870 /nfs/dbraw/zinc/27/88/70/368278870.db2.gz YEYCMBWKTZNPDH-UHFFFAOYSA-N 1 0 261.365 3.153 50 0 CGAARO Cc1ccc(CNc2nc3ccccc3n2CC[NH+](C)C)o1 ZINC000000189120 368311783 /nfs/dbraw/zinc/31/17/83/368311783.db2.gz PBZSUMHSQXCFGJ-UHFFFAOYSA-N 1 0 298.390 3.111 50 0 CGAARO Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000000256718 368325381 /nfs/dbraw/zinc/32/53/81/368325381.db2.gz SEGRGRWELXPSLI-CYBMUJFWSA-N 1 0 260.381 3.056 50 0 CGAARO C[C@@H]([NH3+])Cc1ccccc1Sc1ccccc1O ZINC000000347796 368345631 /nfs/dbraw/zinc/34/56/31/368345631.db2.gz PHQGPZDJBURYLG-LLVKDONJSA-N 1 0 259.374 3.433 50 0 CGAARO CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000000378557 368352947 /nfs/dbraw/zinc/35/29/47/368352947.db2.gz CSBGVZKANSYCDS-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO CSc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000858473 368395878 /nfs/dbraw/zinc/39/58/78/368395878.db2.gz DKWHOKJRTAEEJX-UHFFFAOYSA-N 1 0 290.476 3.469 50 0 CGAARO Cc1sc(C(=O)[C@@H](C)C[NH+](C)C)cc1Br ZINC000000480804 368376627 /nfs/dbraw/zinc/37/66/27/368376627.db2.gz FQJYSEFVBMGNAU-ZETCQYMHSA-N 1 0 290.226 3.199 50 0 CGAARO C[C@@H]1Cc2c3ccccc3[nH]c2[C@]2(CNc3ccccc32)[NH2+]1 ZINC000000518639 368382652 /nfs/dbraw/zinc/38/26/52/368382652.db2.gz APRJFLZRSMYBET-CWTRNNRKSA-N 1 0 289.382 3.371 50 0 biogenic CGAARO CC1(C)CC(NCc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000000798142 368395095 /nfs/dbraw/zinc/39/50/95/368395095.db2.gz QDHFFBCXXNLYOA-UHFFFAOYSA-N 1 0 264.388 3.225 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001999243 368443316 /nfs/dbraw/zinc/44/33/16/368443316.db2.gz BQXQGZPYHWWCEB-CYBMUJFWSA-N 1 0 298.386 3.059 50 0 in-man CGAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCC3)c2cc1O ZINC000002123416 368447105 /nfs/dbraw/zinc/44/71/05/368447105.db2.gz JFHSZSQQVFUASK-UHFFFAOYSA-N 1 0 287.359 3.183 50 0 biogenic CGAARO CC[NH+](CC)CCOC(=O)Nc1cccc(Cl)c1 ZINC000001671718 368428328 /nfs/dbraw/zinc/42/83/28/368428328.db2.gz JPWHECYDSNDVDC-UHFFFAOYSA-N 1 0 270.760 3.230 50 0 CGAARO COc1ccc(CC[NH2+]Cc2cccc(OC)c2)cc1 ZINC000002573287 368466556 /nfs/dbraw/zinc/46/65/56/368466556.db2.gz QEFDRDWIZOFOPB-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO O[C@H](C[NH2+]C1CCCCCCC1)COc1ccccc1 ZINC000003324025 368501639 /nfs/dbraw/zinc/50/16/39/368501639.db2.gz WBQUGKKOCFQMJT-MRXNPFEDSA-N 1 0 277.408 3.129 50 0 CGAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C(=O)OC)cc1 ZINC000002823967 368479688 /nfs/dbraw/zinc/47/96/88/368479688.db2.gz RYXRRSVXHOVULB-ZDUSSCGKSA-N 1 0 279.380 3.020 50 0 CGAARO CC[C@H](C)c1ccc(NC(=S)NCCC[NH+](C)C)cc1 ZINC000002856798 368481106 /nfs/dbraw/zinc/48/11/06/368481106.db2.gz VXVUCDZPLSGBDD-ZDUSSCGKSA-N 1 0 293.480 3.438 50 0 CGAARO COCC[NH2+][C@@H](C)CC[C@H](C)Oc1ccccc1C ZINC000002931036 368486149 /nfs/dbraw/zinc/48/61/49/368486149.db2.gz ANTMRAXUVFNIQR-GJZGRUSLSA-N 1 0 265.397 3.167 50 0 CGAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000002989753 368486973 /nfs/dbraw/zinc/48/69/73/368486973.db2.gz ASSRSPVDYOXRMO-MRXNPFEDSA-N 1 0 279.424 3.040 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000004305139 368542109 /nfs/dbraw/zinc/54/21/09/368542109.db2.gz VYFIGFSVSVWBNN-SUMWQHHRSA-N 1 0 291.435 3.083 50 0 CGAARO Cc1cccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000004337717 368542857 /nfs/dbraw/zinc/54/28/57/368542857.db2.gz OUCWOOHGPMSVMN-VBQJREDUSA-N 1 0 291.435 3.021 50 0 CGAARO CC(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000007787550 368572139 /nfs/dbraw/zinc/57/21/39/368572139.db2.gz HHJGJRQXXIIERU-AWEZNQCLSA-N 1 0 274.408 3.480 50 0 CGAARO Clc1ccccc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000012359736 368609740 /nfs/dbraw/zinc/60/97/40/368609740.db2.gz RRRIXLCXVVGUTG-UHFFFAOYSA-N 1 0 261.756 3.128 50 0 CGAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2OC)cc1 ZINC000012383622 368610595 /nfs/dbraw/zinc/61/05/95/368610595.db2.gz RQOHWKOBAUPFCN-HNNXBMFYSA-N 1 0 299.414 3.467 50 0 CGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000012438313 368613099 /nfs/dbraw/zinc/61/30/99/368613099.db2.gz FAZMNLYUYMNNHO-HZSPNIEDSA-N 1 0 297.826 3.343 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012523355 368616094 /nfs/dbraw/zinc/61/60/94/368616094.db2.gz IQFJZSYZKNWNRD-UHFFFAOYSA-N 1 0 289.423 3.004 50 0 CGAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000012530377 368617352 /nfs/dbraw/zinc/61/73/52/368617352.db2.gz MHXKIKZFOFHOEF-UHFFFAOYSA-N 1 0 299.399 3.437 50 0 CGAARO CSc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012891823 368631725 /nfs/dbraw/zinc/63/17/25/368631725.db2.gz LTQIIJDKPQIKMO-UHFFFAOYSA-N 1 0 292.448 3.011 50 0 CGAARO CC1(C)CC(N2CCCC2)=CC(=[N+]2CCCCC2)C1 ZINC000013302954 368649593 /nfs/dbraw/zinc/64/95/93/368649593.db2.gz BQGWZUJISIWKHU-UHFFFAOYSA-N 1 0 261.433 3.424 50 0 CGAARO Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000013667775 368660569 /nfs/dbraw/zinc/66/05/69/368660569.db2.gz QVJDCHHVMNDZOX-HOTGVXAUSA-N 1 0 288.435 3.093 50 0 CGAARO COc1ccccc1CC[NH2+]CCc1ccccc1 ZINC000013718381 368663939 /nfs/dbraw/zinc/66/39/39/368663939.db2.gz IINRVUOFPZEXKB-UHFFFAOYSA-N 1 0 255.361 3.070 50 0 CGAARO CC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000016604840 368716966 /nfs/dbraw/zinc/71/69/66/368716966.db2.gz WKYBWBRYPWTCHE-UHFFFAOYSA-N 1 0 288.435 3.198 50 0 CGAARO O=C(NCC[NH2+]C1CCCCCC1)c1ccccc1Cl ZINC000013839457 368668689 /nfs/dbraw/zinc/66/86/89/368668689.db2.gz CDFINPGVAUYSJK-UHFFFAOYSA-N 1 0 294.826 3.382 50 0 CGAARO Cn1nccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000019635185 368758316 /nfs/dbraw/zinc/75/83/16/368758316.db2.gz PXZRYEXCSGHBBG-UHFFFAOYSA-N 1 0 287.382 3.014 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000019720389 368760174 /nfs/dbraw/zinc/76/01/74/368760174.db2.gz KBPKTCOYKKWYTQ-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CC(C)C[NH2+]Cc1cc(Br)ccc1F ZINC000019882915 368775774 /nfs/dbraw/zinc/77/57/74/368775774.db2.gz VUQYRDMFVDJZPA-UHFFFAOYSA-N 1 0 260.150 3.334 50 0 CGAARO Cc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019537250 368756202 /nfs/dbraw/zinc/75/62/02/368756202.db2.gz IHRCYUMMBFTQHU-UHFFFAOYSA-N 1 0 280.415 3.313 50 0 CGAARO CC(C)=CCC/C(C)=C/CN1CCC[N@@H+](C)CC1 ZINC000019633611 368758227 /nfs/dbraw/zinc/75/82/27/368758227.db2.gz TUUPORDGRGUJEH-CXUHLZMHSA-N 1 0 250.430 3.317 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1)c1cccs1 ZINC000024367085 368830583 /nfs/dbraw/zinc/83/05/83/368830583.db2.gz QCWIQHVHKYOTKB-ZDUSSCGKSA-N 1 0 289.404 3.173 50 0 CGAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000025329884 368845215 /nfs/dbraw/zinc/84/52/15/368845215.db2.gz VOGFTDISLBDLOU-GFCCVEGCSA-N 1 0 294.445 3.151 50 0 CGAARO NC(=O)c1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000024774307 368835928 /nfs/dbraw/zinc/83/59/28/368835928.db2.gz VWYJTCZIVJLYGC-UHFFFAOYSA-N 1 0 286.400 3.012 50 0 CGAARO C[N@H+](CCCNC(=O)c1ccsc1)Cc1ccccc1 ZINC000024838493 368836552 /nfs/dbraw/zinc/83/65/52/368836552.db2.gz GCGQAVDZQJBJSH-UHFFFAOYSA-N 1 0 288.416 3.000 50 0 CGAARO CC[C@H](C)[NH+]1CCN(CCCc2ccccc2)CC1 ZINC000019900096 368776986 /nfs/dbraw/zinc/77/69/86/368776986.db2.gz JWTOMJUFGNDBMM-INIZCTEOSA-N 1 0 260.425 3.035 50 0 CGAARO Cc1cc(Cl)ccc1OCCCCCN1CC[NH2+]CC1 ZINC000019944971 368788045 /nfs/dbraw/zinc/78/80/45/368788045.db2.gz DZVZRZWYRUTWSF-UHFFFAOYSA-N 1 0 296.842 3.103 50 0 CGAARO Cc1ccc2sc(NCCC[NH+](C)C)nc2c1C ZINC000026424069 368859586 /nfs/dbraw/zinc/85/95/86/368859586.db2.gz WMICQNCZBBLLKZ-UHFFFAOYSA-N 1 0 263.410 3.277 50 0 CGAARO Cc1c2nc(NCC[NH+](C)C)sc2ccc1Cl ZINC000026424073 368859784 /nfs/dbraw/zinc/85/97/84/368859784.db2.gz YCNFQYRJDMHIBE-UHFFFAOYSA-N 1 0 269.801 3.232 50 0 CGAARO C[N@H+](CC(=O)Nc1ccccc1)[C@H]1CCc2ccccc21 ZINC000029482898 368897218 /nfs/dbraw/zinc/89/72/18/368897218.db2.gz WMXJMCDOCPPXTL-KRWDZBQOSA-N 1 0 280.371 3.244 50 0 CGAARO C[C@@H](C[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000034484336 368975554 /nfs/dbraw/zinc/97/55/54/368975554.db2.gz FKQJPVFJZTTYGN-NSHDSACASA-N 1 0 251.757 3.255 50 0 CGAARO OCCC[C@]1(c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000034573514 368975594 /nfs/dbraw/zinc/97/55/94/368975594.db2.gz RWSLGEHCZNXJBR-CQSZACIVSA-N 1 0 288.218 3.387 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000032652020 368940021 /nfs/dbraw/zinc/94/00/21/368940021.db2.gz BUWMUSIXAOEMCJ-BETUJISGSA-N 1 0 271.364 3.215 50 0 CGAARO CC(C)C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000035012767 368989417 /nfs/dbraw/zinc/98/94/17/368989417.db2.gz MPQKJWUDZOLGJO-MRXNPFEDSA-N 1 0 257.381 3.297 50 0 CGAARO OC[C@@H]1CCC[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000038526653 369146938 /nfs/dbraw/zinc/14/69/38/369146938.db2.gz VXPCAAYRJNXCSQ-KRWDZBQOSA-N 1 0 267.372 3.233 50 0 CGAARO CC[N@@H+]1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000040503235 369159641 /nfs/dbraw/zinc/15/96/41/369159641.db2.gz VBDYYMSVIFJGDQ-AWEZNQCLSA-N 1 0 255.365 3.131 50 0 CGAARO CCN(CC)c1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042771288 369230510 /nfs/dbraw/zinc/23/05/10/369230510.db2.gz CNZLFEPKYVBOTN-OAHLLOKOSA-N 1 0 276.424 3.444 50 0 CGAARO c1ccc(-c2ccccc2OC[C@H]2CC[NH2+]C2)cc1 ZINC000042772424 369231161 /nfs/dbraw/zinc/23/11/61/369231161.db2.gz HQGOBGCUNHTYMQ-AWEZNQCLSA-N 1 0 253.345 3.342 50 0 CGAARO C[C@H](CNC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000047324893 369312601 /nfs/dbraw/zinc/31/26/01/369312601.db2.gz DPBQJXPCYQKFTG-GFCCVEGCSA-N 1 0 295.814 3.193 50 0 CGAARO COC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210633 369466700 /nfs/dbraw/zinc/46/67/00/369466700.db2.gz BFDOHRPWDLQSBD-CYBMUJFWSA-N 1 0 267.756 3.040 50 0 CGAARO CC(C)[NH+]1CCC(Nc2ncnc3cccc(F)c32)CC1 ZINC000054043776 369492984 /nfs/dbraw/zinc/49/29/84/369492984.db2.gz FHOJNQBYZKVMHD-UHFFFAOYSA-N 1 0 288.370 3.054 50 0 CGAARO CCn1nc(C)c(C[N@H+](CC)CC[C@@H](C)SC)c1C ZINC000055343382 369514485 /nfs/dbraw/zinc/51/44/85/369514485.db2.gz OPORUTUCSREIDB-GFCCVEGCSA-N 1 0 283.485 3.483 50 0 CGAARO CC/C=C(\C)C[N@H+](CCOC)Cc1c(C)nn(CC)c1C ZINC000055308015 369514935 /nfs/dbraw/zinc/51/49/35/369514935.db2.gz ACLVYUCCXJRXOU-NTEUORMPSA-N 1 0 293.455 3.325 50 0 CGAARO O=C(CC[NH+]1CCCCCCC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000055326075 369515213 /nfs/dbraw/zinc/51/52/13/369515213.db2.gz DOVNRTWHRJBWLE-CALCHBBNSA-N 1 0 290.451 3.067 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055543487 369519251 /nfs/dbraw/zinc/51/92/51/369519251.db2.gz ZVDGPODUVIQZLR-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO Cc1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000055543827 369519926 /nfs/dbraw/zinc/51/99/26/369519926.db2.gz HGUREMIREJWVIY-UHFFFAOYSA-N 1 0 272.417 3.379 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055543858 369520168 /nfs/dbraw/zinc/52/01/68/369520168.db2.gz AOBLBHXOIHXLQY-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 ZINC000058173402 369556896 /nfs/dbraw/zinc/55/68/96/369556896.db2.gz KJVNTWUKOMVWJD-KRWDZBQOSA-N 1 0 286.419 3.111 50 0 CGAARO COc1ccc(OCC[N@H+](C)Cc2ccccc2F)cc1 ZINC000058887287 369576952 /nfs/dbraw/zinc/57/69/52/369576952.db2.gz GDDKCGVWTXFTPI-UHFFFAOYSA-N 1 0 289.350 3.345 50 0 CGAARO Cc1cc(C)c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(C)c1 ZINC000060062129 369584916 /nfs/dbraw/zinc/58/49/16/369584916.db2.gz VGMNMKAZMLDUAF-RBUKOAKNSA-N 1 0 281.399 3.360 50 0 CGAARO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000060976704 369593922 /nfs/dbraw/zinc/59/39/22/369593922.db2.gz LYXTWSAOPMYMMF-QAPCUYQASA-N 1 0 296.418 3.422 50 0 CGAARO Cc1ccsc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000065376415 369670682 /nfs/dbraw/zinc/67/06/82/369670682.db2.gz UDJCYHXCRIPPHN-GFCCVEGCSA-N 1 0 251.395 3.057 50 0 CGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cccnc1 ZINC000065154861 369665610 /nfs/dbraw/zinc/66/56/10/369665610.db2.gz RAPFLTSIEOOOMK-UHFFFAOYSA-N 1 0 292.386 3.174 50 0 CGAARO OCc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)o1 ZINC000065432583 369675963 /nfs/dbraw/zinc/67/59/63/369675963.db2.gz TUVZBSKEAWOUFR-LBPRGKRZSA-N 1 0 291.778 3.415 50 0 CGAARO COc1cc(C)c([C@@H]2[NH2+]CCc3nc[nH]c32)cc1C(C)C ZINC000065488760 369678933 /nfs/dbraw/zinc/67/89/33/369678933.db2.gz PVLKGACZABEWDE-INIZCTEOSA-N 1 0 285.391 3.085 50 0 CGAARO CC[C@@H]([NH2+]C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000065526719 369681236 /nfs/dbraw/zinc/68/12/36/369681236.db2.gz NWRYRPXPSFCLNZ-OAHLLOKOSA-N 1 0 281.421 3.073 50 0 CGAARO CCC(=O)c1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)s1 ZINC000067563017 369720781 /nfs/dbraw/zinc/72/07/81/369720781.db2.gz OOITXIQHLHSDNW-NSHDSACASA-N 1 0 287.384 3.270 50 0 CGAARO CC(C)c1nnc2n1C[C@H](C[NH2+]CC1CCCCC1)CC2 ZINC000069565218 369763018 /nfs/dbraw/zinc/76/30/18/369763018.db2.gz FENRNVHENVDEDW-HNNXBMFYSA-N 1 0 290.455 3.134 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC000069877622 369773453 /nfs/dbraw/zinc/77/34/53/369773453.db2.gz ZKIYXZLZRXHENG-HOTGVXAUSA-N 1 0 278.440 3.042 50 0 CGAARO C[NH+](C)CC(C)(C)Cn1ccnc1-c1ccsc1 ZINC000067841223 369732018 /nfs/dbraw/zinc/73/20/18/369732018.db2.gz BGLSYRCZQBGPIW-UHFFFAOYSA-N 1 0 263.410 3.199 50 0 CGAARO C[NH2+]Cc1cc(-c2ccc(F)cc2OC)ccc1OC ZINC000067855738 369734213 /nfs/dbraw/zinc/73/42/13/369734213.db2.gz WFFCIRCGIJDZHS-UHFFFAOYSA-N 1 0 275.323 3.229 50 0 CGAARO Cc1ccc([C@@H](CNc2ccc3cc[nH]c3n2)[NH+](C)C)o1 ZINC000072424660 369819348 /nfs/dbraw/zinc/81/93/48/369819348.db2.gz ZYWDBZHBDIBHCV-CYBMUJFWSA-N 1 0 284.363 3.179 50 0 CGAARO CCC[N@H+](CCOC)Cc1ccc(C)c2ncccc12 ZINC000219288412 376198847 /nfs/dbraw/zinc/19/88/47/376198847.db2.gz CNVFLVIFDQNCKD-UHFFFAOYSA-N 1 0 272.392 3.402 50 0 CGAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1csc(C)n1 ZINC000077439185 369946515 /nfs/dbraw/zinc/94/65/15/369946515.db2.gz SVGOWQNSDGGQBN-AWEZNQCLSA-N 1 0 268.426 3.233 50 0 CGAARO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(CO)o2)cc1 ZINC000083477808 370006980 /nfs/dbraw/zinc/00/69/80/370006980.db2.gz LOPACUYAXHUSNE-UHFFFAOYSA-N 1 0 273.376 3.359 50 0 CGAARO CN(CCC[NH+]1CCCCC1)Cc1ccc(Cl)nc1 ZINC000083860806 370009672 /nfs/dbraw/zinc/00/96/72/370009672.db2.gz IIXCOHDOASLMQK-UHFFFAOYSA-N 1 0 281.831 3.043 50 0 CGAARO Cc1ccccc1OCCC[N@@H+](C)Cc1cccnc1 ZINC000089696759 370046690 /nfs/dbraw/zinc/04/66/90/370046690.db2.gz OKESQXBYLIKBCG-UHFFFAOYSA-N 1 0 270.376 3.291 50 0 CGAARO C[C@H]1C[C@H]([NH2+]Cc2cccn2C)CCN1Cc1ccccc1 ZINC000080339215 369987036 /nfs/dbraw/zinc/98/70/36/369987036.db2.gz FVYCCYLPBRUZCN-FUHWJXTLSA-N 1 0 297.446 3.168 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000080339813 369987168 /nfs/dbraw/zinc/98/71/68/369987168.db2.gz RVKQMYCHMFHOLF-QLJPJBMISA-N 1 0 273.355 3.270 50 0 CGAARO COc1ccccc1[C@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000090534922 370061546 /nfs/dbraw/zinc/06/15/46/370061546.db2.gz VGYJDHWNVPEFQT-KRWDZBQOSA-N 1 0 287.359 3.146 50 0 CGAARO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000092660378 370099753 /nfs/dbraw/zinc/09/97/53/370099753.db2.gz DFBNOGSLOXRTIC-MLRPBERTSA-N 1 0 286.419 3.067 50 0 CGAARO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 ZINC000095368635 370179216 /nfs/dbraw/zinc/17/92/16/370179216.db2.gz SJIRIOHBZYBHHF-QGZVFWFLSA-N 1 0 286.419 3.080 50 0 CGAARO CC[N@@H+]1CCC[C@H]1CN1c2cccc3cccc(c23)C1=O ZINC000095382549 370180250 /nfs/dbraw/zinc/18/02/50/370180250.db2.gz QCDGRCDDKAHUMI-AWEZNQCLSA-N 1 0 280.371 3.284 50 0 CGAARO CCc1cnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000095390590 370181076 /nfs/dbraw/zinc/18/10/76/370181076.db2.gz YGGMUONZTXIOKC-KRWDZBQOSA-N 1 0 296.418 3.116 50 0 CGAARO CC[N@H+](Cc1cc2ccccc2s1)CC(C)(C)O ZINC000093436923 370127567 /nfs/dbraw/zinc/12/75/67/370127567.db2.gz VSWOMWBTWUUXRJ-UHFFFAOYSA-N 1 0 263.406 3.494 50 0 CGAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203548 370232457 /nfs/dbraw/zinc/23/24/57/370232457.db2.gz GANQZLRRAJFGRK-ZDUSSCGKSA-N 1 0 287.382 3.500 50 0 CGAARO CCN(CC)[C@H](C[NH2+]Cc1cccnc1)Cc1ccccc1 ZINC000097287713 370238180 /nfs/dbraw/zinc/23/81/80/370238180.db2.gz XEPFLQJIUKYSHY-IBGZPJMESA-N 1 0 297.446 3.124 50 0 CGAARO Brc1ccc(CC[NH2+][C@H]2CCCSC2)o1 ZINC000097370960 370239191 /nfs/dbraw/zinc/23/91/91/370239191.db2.gz MNFAZODQVBLBKK-VIFPVBQESA-N 1 0 290.226 3.070 50 0 CGAARO CCc1nc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000097374475 370240211 /nfs/dbraw/zinc/24/02/11/370240211.db2.gz DCWZHLXVIOKKQU-QMTHXVAHSA-N 1 0 294.395 3.229 50 0 CGAARO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)[C@@H]1CCCO1 ZINC000097374170 370240231 /nfs/dbraw/zinc/24/02/31/370240231.db2.gz LHCKUCWQWUNERY-MFKMUULPSA-N 1 0 278.377 3.060 50 0 CGAARO Cc1nc(C2CC[NH+](CCCc3ccccc3)CC2)no1 ZINC000097546461 370245358 /nfs/dbraw/zinc/24/53/58/370245358.db2.gz KAKNOQHIPZBQHI-UHFFFAOYSA-N 1 0 285.391 3.190 50 0 CGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccnc2ccccc12 ZINC000097578728 370246732 /nfs/dbraw/zinc/24/67/32/370246732.db2.gz PWHGJUQZTQHQFX-CQSZACIVSA-N 1 0 292.386 3.088 50 0 CGAARO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(C)cn2)c1 ZINC000095416673 370186547 /nfs/dbraw/zinc/18/65/47/370186547.db2.gz SPUJZNCVUFGSEP-CQSZACIVSA-N 1 0 270.376 3.119 50 0 CGAARO c1cn(CCC[NH2+][C@@H]2CCCSc3ccccc32)cn1 ZINC000095419074 370186680 /nfs/dbraw/zinc/18/66/80/370186680.db2.gz DQHNAZQREVFEON-OAHLLOKOSA-N 1 0 287.432 3.490 50 0 CGAARO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000095419655 370187272 /nfs/dbraw/zinc/18/72/72/370187272.db2.gz BCWPIBXLVCTKOL-ZDUSSCGKSA-N 1 0 260.381 3.010 50 0 CGAARO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095420991 370188974 /nfs/dbraw/zinc/18/89/74/370188974.db2.gz ISKFTUVWWSYNJM-AWEZNQCLSA-N 1 0 287.407 3.196 50 0 CGAARO C[C@@H](Cc1ccsc1)[NH2+]C[C@](C)(O)c1cccs1 ZINC000095422971 370189968 /nfs/dbraw/zinc/18/99/68/370189968.db2.gz PRORUKHPIGRFIJ-FZMZJTMJSA-N 1 0 281.446 3.238 50 0 CGAARO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccco2)cc1F ZINC000095988568 370202397 /nfs/dbraw/zinc/20/23/97/370202397.db2.gz MJRNPBAVZQHANV-HUUCEWRRSA-N 1 0 279.286 3.178 50 0 CGAARO COc1ccc(CN2Cc3ccccc3C2=[NH2+])cc1OC ZINC000100745817 370282534 /nfs/dbraw/zinc/28/25/34/370282534.db2.gz ISNSFIKUFCDBNK-UHFFFAOYSA-N 1 0 282.343 3.045 50 0 CGAARO C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@@H]1CCCCN12 ZINC000101363530 370288869 /nfs/dbraw/zinc/28/88/69/370288869.db2.gz XFHQYXRJUICKLQ-DLBZAZTESA-N 1 0 286.419 3.034 50 0 CGAARO C[C@@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)[NH+](C)C ZINC000426372019 372153093 /nfs/dbraw/zinc/15/30/93/372153093.db2.gz JRFQLWCMUADSDY-NSHDSACASA-N 1 0 286.350 3.214 50 0 CGAARO Cc1ccc(-c2ccc(CN3CC[C@H]([NH3+])C3)o2)cc1Cl ZINC000426537708 372163685 /nfs/dbraw/zinc/16/36/85/372163685.db2.gz NYEAFZWXQOWCCZ-ZDUSSCGKSA-N 1 0 290.794 3.441 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000170088204 372634303 /nfs/dbraw/zinc/63/43/03/372634303.db2.gz CNYLBGQCNMPGAD-YOEHRIQHSA-N 1 0 285.391 3.092 50 0 CGAARO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000075094596 541907384 /nfs/dbraw/zinc/90/73/84/541907384.db2.gz OEHZBBYFDTUIEI-AAEUAGOBSA-N 1 0 290.798 3.399 50 0 CGAARO CS[C@@H](C)c1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000078581029 541915697 /nfs/dbraw/zinc/91/56/97/541915697.db2.gz KZMSPHZGNDMVRT-LBPRGKRZSA-N 1 0 295.452 3.136 50 0 CGAARO c1ccc(N2CCC[C@@H]([NH2+]C3CCSCC3)C2)cc1 ZINC000089845616 541956273 /nfs/dbraw/zinc/95/62/73/541956273.db2.gz HSSFHLPEMNRDMB-OAHLLOKOSA-N 1 0 276.449 3.141 50 0 CGAARO C[C@@H]([NH2+]CC1(c2c(F)cccc2F)CC1)c1cnn(C)c1 ZINC000090965200 541964556 /nfs/dbraw/zinc/96/45/56/541964556.db2.gz AKWBXNRGFDSDPF-LLVKDONJSA-N 1 0 291.345 3.081 50 0 CGAARO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CO)c2ccsc2S1 ZINC000095423261 541991651 /nfs/dbraw/zinc/99/16/51/541991651.db2.gz DLNQRWWFBOLPLX-LFSVMHDDSA-N 1 0 283.462 3.424 50 0 CGAARO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)s2)C[C@@H]1C ZINC000095404810 541991251 /nfs/dbraw/zinc/99/12/51/541991251.db2.gz GUCMRPRBYRSRKH-CMPLNLGQSA-N 1 0 281.425 3.051 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000188113162 375160283 /nfs/dbraw/zinc/16/02/83/375160283.db2.gz CASNSBZZAYVVOM-WFASDCNBSA-N 1 0 294.826 3.044 50 0 CGAARO c1csc(-c2nnc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)o2)c1 ZINC000098018884 541996317 /nfs/dbraw/zinc/99/63/17/541996317.db2.gz DDXXLXHAEJIKGC-VXGBXAGGSA-N 1 0 289.404 3.420 50 0 CGAARO Nc1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)ccn1 ZINC000191516630 375636365 /nfs/dbraw/zinc/63/63/65/375636365.db2.gz WBNILSXIOVJCEN-OAHLLOKOSA-N 1 0 299.443 3.278 50 0 CGAARO Cc1c(NC(=O)CC[C@H](C)[NH3+])sc2c1CCCC2 ZINC000193269768 375851553 /nfs/dbraw/zinc/85/15/53/375851553.db2.gz JTHPPVUTXZUUKJ-VIFPVBQESA-N 1 0 266.410 3.001 50 0 CGAARO CC(=O)c1cc(C[N@@H+]2CCC[C@]3(CCCO3)CC2)cs1 ZINC000215034113 376144466 /nfs/dbraw/zinc/14/44/66/376144466.db2.gz NIRZKADRXCXUSK-INIZCTEOSA-N 1 0 293.432 3.486 50 0 CGAARO C[N@H+](Cc1ccc(F)c(F)c1F)C1CCSCC1 ZINC000215082935 376144653 /nfs/dbraw/zinc/14/46/53/376144653.db2.gz XWBYMOXWGZQRRS-UHFFFAOYSA-N 1 0 275.339 3.431 50 0 CGAARO Clc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000215170914 376147552 /nfs/dbraw/zinc/14/75/52/376147552.db2.gz YDAJEPUNEFELOT-INIZCTEOSA-N 1 0 278.827 3.400 50 0 CGAARO CO[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000215524851 376148727 /nfs/dbraw/zinc/14/87/27/376148727.db2.gz ZXLUZXMBKARDTC-MRXNPFEDSA-N 1 0 271.360 3.476 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000215972210 376153887 /nfs/dbraw/zinc/15/38/87/376153887.db2.gz YFULBQRLUNPRPZ-CQSZACIVSA-N 1 0 258.365 3.169 50 0 CGAARO C[C@@H](c1ccoc1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000221902799 376223793 /nfs/dbraw/zinc/22/37/93/376223793.db2.gz OYLIHUPAWXZBTM-GXTWGEPZSA-N 1 0 294.395 3.330 50 0 CGAARO Cc1ccc(C(=O)NCc2cn3ccccc3n2)c(Cl)c1 ZINC000225427346 376309351 /nfs/dbraw/zinc/30/93/51/376309351.db2.gz GOLQJNCVUKJXOL-UHFFFAOYSA-N 1 0 299.761 3.226 50 0 CGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2cscn2)C1 ZINC000229315757 376460709 /nfs/dbraw/zinc/46/07/09/376460709.db2.gz KTSBNYMMGPYILQ-DZGCQCFKSA-N 1 0 287.432 3.068 50 0 CGAARO c1ccc2c(c1)N[C@@H]1[C@@H]2CC[N@@H+]2C[C@@H]3CCCC[C@@H]3[C@@H]12 ZINC000229744235 376469388 /nfs/dbraw/zinc/46/93/88/376469388.db2.gz LKHAUIVLOLWBIF-AXRYGOTBSA-N 1 0 268.404 3.459 50 0 biogenic CGAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000230104134 376483979 /nfs/dbraw/zinc/48/39/79/376483979.db2.gz FYSDFSMQUJVYTG-DLBZAZTESA-N 1 0 298.361 3.110 50 0 CGAARO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000241961403 376781538 /nfs/dbraw/zinc/78/15/38/376781538.db2.gz USFDSBFMULHJCR-BPLDGKMQSA-N 1 0 263.381 3.039 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]2CCCc2cccnc2)no1 ZINC000244874834 376799680 /nfs/dbraw/zinc/79/96/80/376799680.db2.gz XHZJCRSRFJPREP-INIZCTEOSA-N 1 0 271.364 3.148 50 0 CGAARO C[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCN1[C@H]1C=CCCC1 ZINC000246439158 377030702 /nfs/dbraw/zinc/03/07/02/377030702.db2.gz WMMCZZMVJCNODN-BBWFWOEESA-N 1 0 260.425 3.210 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1 ZINC000252480511 377627384 /nfs/dbraw/zinc/62/73/84/377627384.db2.gz CBFYAQLVRRKBGK-QGZVFWFLSA-N 1 0 277.408 3.068 50 0 CGAARO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)[C@]1(C)CCCO1 ZINC000252484784 377629163 /nfs/dbraw/zinc/62/91/63/377629163.db2.gz GHLJCDXTUXRIBM-LXZKKBNFSA-N 1 0 259.393 3.264 50 0 CGAARO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(O)c1 ZINC000253432790 377694437 /nfs/dbraw/zinc/69/44/37/377694437.db2.gz OCMGUEDIKVZBEN-CXAGYDPISA-N 1 0 271.360 3.167 50 0 CGAARO CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)n2C)[C@H]1C ZINC000253369761 377687581 /nfs/dbraw/zinc/68/75/81/377687581.db2.gz HWIZVTDPTLYHPI-KBPBESRZSA-N 1 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277.408 3.293 50 0 investigational CGAARO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000282883016 380007010 /nfs/dbraw/zinc/00/70/10/380007010.db2.gz CXHPBEYOYSQZRN-GOSISDBHSA-N 1 0 295.386 3.003 50 0 CGAARO CC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000000186278 169567800 /nfs/dbraw/zinc/56/78/00/169567800.db2.gz SIIKKHDJGKKTKT-UHFFFAOYSA-N 1 0 294.826 3.379 50 0 CGAARO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000257365124 542354646 /nfs/dbraw/zinc/35/46/46/542354646.db2.gz OEHZBBYFDTUIEI-DGCLKSJQSA-N 1 0 290.798 3.399 50 0 CGAARO OC1(C[NH2+][C@H]2CCCc3ccccc32)CCCCC1 ZINC000037893465 285241287 /nfs/dbraw/zinc/24/12/87/285241287.db2.gz WHASSCNJEMRBNI-INIZCTEOSA-N 1 0 259.393 3.349 50 0 CGAARO OC1(C[NH2+][C@@H]2CCCc3ccccc32)CCCCC1 ZINC000037893466 285240043 /nfs/dbraw/zinc/24/00/43/285240043.db2.gz WHASSCNJEMRBNI-MRXNPFEDSA-N 1 0 259.393 3.349 50 0 CGAARO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000094294481 184777506 /nfs/dbraw/zinc/77/75/06/184777506.db2.gz QZCWQTBBHSFFJY-AWEZNQCLSA-N 1 0 286.419 3.085 50 0 CGAARO CCc1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000095362771 184953006 /nfs/dbraw/zinc/95/30/06/184953006.db2.gz YAIRUPGIMYYBAS-UHFFFAOYSA-N 1 0 296.418 3.247 50 0 CGAARO c1cc(C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccn1 ZINC000072420102 285432780 /nfs/dbraw/zinc/43/27/80/285432780.db2.gz QTXMQHPWPDHGCP-UHFFFAOYSA-N 1 0 296.370 3.190 50 0 CGAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1C ZINC000072158594 392196305 /nfs/dbraw/zinc/19/63/05/392196305.db2.gz HYWUMGLXYZHLPI-SFHVURJKSA-N 1 0 299.418 3.474 50 0 CGAARO COc1ccc([C@H]2C[C@H](C)[N@H+](CCCCCO)C2)cc1 ZINC000096415679 392251776 /nfs/dbraw/zinc/25/17/76/392251776.db2.gz BQJYZUIOPILOFO-HOCLYGCPSA-N 1 0 277.408 3.036 50 0 CGAARO CC(C)C[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000216032701 392988980 /nfs/dbraw/zinc/98/89/80/392988980.db2.gz QNFHYJRRPBNWHS-OAHLLOKOSA-N 1 0 272.392 3.415 50 0 CGAARO CSc1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000216487309 392990935 /nfs/dbraw/zinc/99/09/35/392990935.db2.gz PHVSVLDQYBWQGC-INIZCTEOSA-N 1 0 290.476 3.469 50 0 CGAARO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H]1CCc2ccccc2C1 ZINC000252448764 393122341 /nfs/dbraw/zinc/12/23/41/393122341.db2.gz IWZFGNBWYGKXTE-QFBILLFUSA-N 1 0 286.463 3.064 50 0 CGAARO Fc1cncc(Br)c1C[NH2+]C1CCCC1 ZINC000585093638 542769023 /nfs/dbraw/zinc/76/90/23/542769023.db2.gz SXADNECEOXUDJL-UHFFFAOYSA-N 1 0 273.149 3.015 50 0 CGAARO CC(C)n1cnnc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426571542 393450099 /nfs/dbraw/zinc/45/00/99/393450099.db2.gz BSLLIVQSEIJTHE-INIZCTEOSA-N 1 0 298.434 3.485 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)on1 ZINC000420949280 393554349 /nfs/dbraw/zinc/55/43/49/393554349.db2.gz OQKPEYRGLOQFMS-JTQLQIEISA-N 1 0 262.275 3.147 50 0 CGAARO C[N@H+](CCC1(O)CCCC1)Cc1cc2ccccc2[nH]1 ZINC000670440546 543154418 /nfs/dbraw/zinc/15/44/18/543154418.db2.gz KXAMEXZEVTVFMC-UHFFFAOYSA-N 1 0 272.392 3.295 50 0 CGAARO C[N@H+](Cc1cccc(F)c1C(F)(F)F)CC(C)(C)CO ZINC000670469282 543156360 /nfs/dbraw/zinc/15/63/60/543156360.db2.gz XJCWKOAPDOOWIO-UHFFFAOYSA-N 1 0 293.304 3.295 50 0 CGAARO Cc1cccc([C@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)c1 ZINC000670462520 543156844 /nfs/dbraw/zinc/15/68/44/543156844.db2.gz ZZEJHAXZNDBVDZ-KRWDZBQOSA-N 1 0 281.403 3.473 50 0 CGAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc2ccccc12 ZINC000670468100 543156995 /nfs/dbraw/zinc/15/69/95/543156995.db2.gz MNULHXVLNCHANH-ZSHCYNCHSA-N 1 0 282.387 3.377 50 0 CGAARO CC[C@H](C)c1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC000020059621 397604853 /nfs/dbraw/zinc/60/48/53/397604853.db2.gz GKPDODWZETYLMS-INIZCTEOSA-N 1 0 290.451 3.216 50 0 CGAARO CCCNC(=O)c1cccc(C[NH2+]Cc2ccccc2C)c1 ZINC000047794348 397635308 /nfs/dbraw/zinc/63/53/08/397635308.db2.gz ZZDRQRDOUOBQIK-UHFFFAOYSA-N 1 0 296.414 3.425 50 0 CGAARO Cc1ccc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nn1 ZINC000072469952 292161863 /nfs/dbraw/zinc/16/18/63/292161863.db2.gz LRCLFOLHCKRFIL-INIZCTEOSA-N 1 0 288.439 3.242 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[NH2+]CC2 ZINC000019300575 286260979 /nfs/dbraw/zinc/26/09/79/286260979.db2.gz OSOHYOOOJHCIHK-KRWDZBQOSA-N 1 0 287.334 3.078 50 0 CGAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000002694441 169820795 /nfs/dbraw/zinc/82/07/95/169820795.db2.gz WYQXVDHCELLOBL-UONOGXRCSA-N 1 0 279.424 3.328 50 0 CGAARO CCCCCOc1ccc([C@H]([NH3+])CC(=O)OCC)cc1 ZINC000004237691 169946694 /nfs/dbraw/zinc/94/66/94/169946694.db2.gz RYEWPPLPDBQYHE-OAHLLOKOSA-N 1 0 279.380 3.209 50 0 CGAARO C[C@@H]1Cc2ccccc2N1C(=O)CC[NH+]1CCC(C)CC1 ZINC000004594312 169988445 /nfs/dbraw/zinc/98/84/45/169988445.db2.gz MSPCZHXVHYTWGB-OAHLLOKOSA-N 1 0 286.419 3.086 50 0 CGAARO C[C@@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000004700877 170001242 /nfs/dbraw/zinc/00/12/42/170001242.db2.gz GSILAONZJUFGIM-DOMZBBRYSA-N 1 0 294.826 3.238 50 0 CGAARO Fc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000004745809 170010567 /nfs/dbraw/zinc/01/05/67/170010567.db2.gz XRGPFLGAOBKDOU-UHFFFAOYSA-N 1 0 276.399 3.276 50 0 CGAARO COc1ccccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000004749438 170011215 /nfs/dbraw/zinc/01/12/15/170011215.db2.gz GRBNZKGFJXPURM-UHFFFAOYSA-N 1 0 297.402 3.167 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1c(Cl)cccc1Cl ZINC000004794714 170018415 /nfs/dbraw/zinc/01/84/15/170018415.db2.gz KUTMPYBJYXAEKE-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO CCCCOc1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000004842244 170028184 /nfs/dbraw/zinc/02/81/84/170028184.db2.gz AFGGOXOPTBREJL-HNNXBMFYSA-N 1 0 293.407 3.013 50 0 CGAARO Brc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000004845476 170029643 /nfs/dbraw/zinc/02/96/43/170029643.db2.gz LMNDGPZXPGPUTC-UHFFFAOYSA-N 1 0 284.197 3.314 50 0 CGAARO C[NH+](C)CCCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000004865642 170032504 /nfs/dbraw/zinc/03/25/04/170032504.db2.gz MYRJTUDBHGVXEA-UHFFFAOYSA-N 1 0 297.398 3.313 50 0 CGAARO C[NH+](C)CCOc1ccc(Cl)cc1Br ZINC000004913545 170040273 /nfs/dbraw/zinc/04/02/73/170040273.db2.gz ZDMWWCLUEBRDRU-UHFFFAOYSA-N 1 0 278.577 3.043 50 0 CGAARO CCn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000004910966 170040818 /nfs/dbraw/zinc/04/08/18/170040818.db2.gz GQRNOEDEKNHDLC-UHFFFAOYSA-N 1 0 257.381 3.432 50 0 CGAARO O=Cc1cccn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000005736728 170135220 /nfs/dbraw/zinc/13/52/20/170135220.db2.gz DYCKCLZHSRKOSL-UHFFFAOYSA-N 1 0 268.360 3.138 50 0 CGAARO COc1ccc(OCCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000006551083 170212691 /nfs/dbraw/zinc/21/26/91/170212691.db2.gz MWQMDWHYGKYXQN-UHFFFAOYSA-N 1 0 289.350 3.393 50 0 CGAARO CCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007262391 170274551 /nfs/dbraw/zinc/27/45/51/170274551.db2.gz KOZWJPJLWKNFKM-GFCCVEGCSA-N 1 0 259.349 3.500 50 0 CGAARO CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007788154 170303382 /nfs/dbraw/zinc/30/33/82/170303382.db2.gz OHRNAQCRXSLRFU-OKILXGFUSA-N 1 0 288.435 3.474 50 0 CGAARO COc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008582825 170342286 /nfs/dbraw/zinc/34/22/86/170342286.db2.gz ZHIQWIVLBVTWOQ-UHFFFAOYSA-N 1 0 286.375 3.243 50 0 biogenic CGAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008660990 170344435 /nfs/dbraw/zinc/34/44/35/170344435.db2.gz WKUPYLBBQIDAMN-UHFFFAOYSA-N 1 0 288.391 3.489 50 0 CGAARO CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062829 170362823 /nfs/dbraw/zinc/36/28/23/170362823.db2.gz HGEBMYILQUULGF-HNNXBMFYSA-N 1 0 288.435 3.203 50 0 CGAARO CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010325898 170404288 /nfs/dbraw/zinc/40/42/88/170404288.db2.gz BEMVFKPWSCJACI-UHFFFAOYSA-N 1 0 274.408 3.202 50 0 CGAARO Cc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1 ZINC000015456746 170668226 /nfs/dbraw/zinc/66/82/26/170668226.db2.gz NHJFYILQCWKOEF-ZIAGYGMSSA-N 1 0 260.406 3.499 50 0 CGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(C)s1)C2 ZINC000019227415 170755673 /nfs/dbraw/zinc/75/56/73/170755673.db2.gz YXAVYEWAEZYGKJ-CYBMUJFWSA-N 1 0 289.400 3.158 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)CC2CC2)ccc1Cl ZINC000020388362 171177562 /nfs/dbraw/zinc/17/75/62/171177562.db2.gz DTVSXZBIZMYVOZ-JSGCOSHPSA-N 1 0 297.826 3.166 50 0 CGAARO Fc1ccccc1CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000020827383 171274070 /nfs/dbraw/zinc/27/40/70/171274070.db2.gz NKMHHOCYSKCIMB-UHFFFAOYSA-N 1 0 295.361 3.344 50 0 CGAARO Fc1ccccc1CN1c2ccccc2N2CC[NH+]=C12 ZINC000020890242 171278178 /nfs/dbraw/zinc/27/81/78/171278178.db2.gz DWKHQOKZNORSLJ-UHFFFAOYSA-N 1 0 267.307 3.022 50 0 CGAARO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc(Cl)c1OC ZINC000035273739 172094259 /nfs/dbraw/zinc/09/42/59/172094259.db2.gz FJQIOBOKGARUKG-ZWNOBZJWSA-N 1 0 299.798 3.014 50 0 CGAARO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1Cl ZINC000038043585 174050970 /nfs/dbraw/zinc/05/09/70/174050970.db2.gz PNPBDHFNNWNTJN-VXGBXAGGSA-N 1 0 253.773 3.417 50 0 CGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1cccc(Cl)c1 ZINC000040283564 174219289 /nfs/dbraw/zinc/21/92/89/174219289.db2.gz GLEXRQSWTSVNKB-DOTOQJQBSA-N 1 0 298.773 3.265 50 0 CGAARO CC(C)(c1ccccc1)c1ccc(OC2C[NH2+]C2)cc1 ZINC000042769984 174870815 /nfs/dbraw/zinc/87/08/15/174870815.db2.gz YKGBYYUZXBPJMU-UHFFFAOYSA-N 1 0 267.372 3.363 50 0 CGAARO Brc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042772901 174871861 /nfs/dbraw/zinc/87/18/61/174871861.db2.gz PSAXWCKDMMFKQS-LLVKDONJSA-N 1 0 284.197 3.218 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000044299751 175161393 /nfs/dbraw/zinc/16/13/93/175161393.db2.gz GJJPEMPOAXHFGS-AWEZNQCLSA-N 1 0 258.365 3.091 50 0 CGAARO CC(C)C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000045003478 175287875 /nfs/dbraw/zinc/28/78/75/175287875.db2.gz GQUPODATQYIIRB-UHFFFAOYSA-N 1 0 286.419 3.199 50 0 CGAARO C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)[NH+](C)C ZINC000046275365 175395629 /nfs/dbraw/zinc/39/56/29/175395629.db2.gz GVESXSAVWWILLL-VIFPVBQESA-N 1 0 296.823 3.235 50 0 CGAARO Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000047416134 175407885 /nfs/dbraw/zinc/40/78/85/175407885.db2.gz XCOJODUFUVCFFS-BETUJISGSA-N 1 0 294.464 3.154 50 0 CGAARO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000071419537 176160976 /nfs/dbraw/zinc/16/09/76/176160976.db2.gz WAIXKFNUBCYZEM-CYBMUJFWSA-N 1 0 282.387 3.268 50 0 CGAARO COc1cc(OC)cc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071708157 176248540 /nfs/dbraw/zinc/24/85/40/176248540.db2.gz OXYZMFYRRXUOSM-UHFFFAOYSA-N 1 0 269.344 3.017 50 0 CGAARO CC(=O)Nc1ccc(CC[NH2+]Cc2ccsc2)cc1 ZINC000071799790 176265787 /nfs/dbraw/zinc/26/57/87/176265787.db2.gz QBBBDWHOFPVGAT-UHFFFAOYSA-N 1 0 274.389 3.039 50 0 CGAARO COc1c(C)cc(C[NH2+]Cc2ccc(N(C)C)nc2)cc1C ZINC000071825209 176271669 /nfs/dbraw/zinc/27/16/69/176271669.db2.gz LGFBTZBCHYSCCO-UHFFFAOYSA-N 1 0 299.418 3.063 50 0 CGAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2cscn2)C1 ZINC000071857563 176278829 /nfs/dbraw/zinc/27/88/29/176278829.db2.gz KTSBNYMMGPYILQ-ZFWWWQNUSA-N 1 0 287.432 3.068 50 0 CGAARO c1cc(C[NH+]2CCC(OCc3cccnc3)CC2)cs1 ZINC000072140354 176323724 /nfs/dbraw/zinc/32/37/24/176323724.db2.gz YMQWFVJOHKLCIL-UHFFFAOYSA-N 1 0 288.416 3.324 50 0 CGAARO c1cc2ccc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2[nH]1 ZINC000072152150 176327608 /nfs/dbraw/zinc/32/76/08/176327608.db2.gz CECSEVYSFIBBIE-INIZCTEOSA-N 1 0 292.386 3.249 50 0 CGAARO c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000072162935 176330460 /nfs/dbraw/zinc/33/04/60/176330460.db2.gz ZOQRWXNQTTZXQS-QGZVFWFLSA-N 1 0 252.361 3.461 50 0 CGAARO CO[C@H](C)c1noc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000072311046 176367787 /nfs/dbraw/zinc/36/77/87/176367787.db2.gz JFUCAKNRRLIWAK-AGIUHOORSA-N 1 0 295.427 3.472 50 0 CGAARO CC(C)SCC[N@@H+]1CCCC[C@@H]1CCc1nccn1C ZINC000077451970 177270199 /nfs/dbraw/zinc/27/01/99/177270199.db2.gz JYTVOINLBYPEED-OAHLLOKOSA-N 1 0 295.496 3.349 50 0 CGAARO CC(C)=C[C@@H]1[C@H](C(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000048331859 416447096 /nfs/dbraw/zinc/44/70/96/416447096.db2.gz VSOVFAXFPZPMFS-HZPDHXFCSA-N 1 0 292.467 3.214 50 0 CGAARO CCOc1cccc(C[NH2+]CCCOCC(C)C)c1 ZINC000037678404 260115676 /nfs/dbraw/zinc/11/56/76/260115676.db2.gz FIGSAXJWOAZEGV-UHFFFAOYSA-N 1 0 265.397 3.238 50 0 CGAARO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037031596 273617293 /nfs/dbraw/zinc/61/72/93/273617293.db2.gz ZHISISWWPBYLEY-VXGBXAGGSA-N 1 0 298.839 3.121 50 0 CGAARO C[C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000000757182 274317423 /nfs/dbraw/zinc/31/74/23/274317423.db2.gz MVZYFQAJTIFKAW-KGLIPLIRSA-N 1 0 262.372 3.136 50 0 CGAARO c1ccc(SCCOCC[NH+]2CCCCC2)cc1 ZINC000004841467 275068129 /nfs/dbraw/zinc/06/81/29/275068129.db2.gz LTYXQKPHTKAYIT-UHFFFAOYSA-N 1 0 265.422 3.281 50 0 CGAARO CC1[N+](=O)[C@@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000000510291 275926345 /nfs/dbraw/zinc/92/63/45/275926345.db2.gz OFZLAPBDAMLYFU-LLVKDONJSA-N 1 0 289.162 3.447 50 0 CGAARO C[N@@H+]1CCC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC000065370938 277035434 /nfs/dbraw/zinc/03/54/34/277035434.db2.gz OUCOHTNFJHSYIE-UHFFFAOYSA-N 1 0 281.403 3.157 50 0 CGAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cc(OC)c1 ZINC000025357362 277819064 /nfs/dbraw/zinc/81/90/64/277819064.db2.gz KNUJQQWYTZFARC-QGZVFWFLSA-N 1 0 299.370 3.317 50 0 CGAARO COc1cc(C[NH2+][C@H]2CCc3ccc(F)cc32)ccn1 ZINC000095420005 277819989 /nfs/dbraw/zinc/81/99/89/277819989.db2.gz BIUKYGCHFJYQHQ-HNNXBMFYSA-N 1 0 272.323 3.006 50 0 CGAARO CC(=O)N(CCC[NH+](C)C)C[C@@H]1[C@H](C)C=C(C)C[C@H]1C ZINC000239439122 277970739 /nfs/dbraw/zinc/97/07/39/277970739.db2.gz ZLYRCIIIWXAQLB-BFYDXBDKSA-N 1 0 280.456 3.025 50 0 biogenic CGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000333501574 278499006 /nfs/dbraw/zinc/49/90/06/278499006.db2.gz CQMAVHFMKJFSRZ-FQUUOJAGSA-N 1 0 250.386 3.272 50 0 CGAARO CC[NH+](CC)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000095954724 279101896 /nfs/dbraw/zinc/10/18/96/279101896.db2.gz YGGZYSVRDIDREJ-LBPRGKRZSA-N 1 0 270.367 3.299 50 0 CGAARO CC[NH+](CC)C[C@H](O)COc1ccc(C(C)C)c(C)c1 ZINC000005794665 279133306 /nfs/dbraw/zinc/13/33/06/279133306.db2.gz VFUKWJKQXBTODT-HNNXBMFYSA-N 1 0 279.424 3.200 50 0 CGAARO CC[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccco1 ZINC000047934403 279174883 /nfs/dbraw/zinc/17/48/83/279174883.db2.gz BRAKROWJZMSMNS-UHFFFAOYSA-N 1 0 290.338 3.269 50 0 CGAARO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000170088920 279557966 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NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241368008 295143138 /nfs/dbraw/zinc/14/31/38/295143138.db2.gz MJHRTJGRYGQTPL-ZFWWWQNUSA-N 1 0 286.400 3.112 50 0 CGAARO COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2=O)[N@@H+](C)CC3 ZINC000043808059 295276606 /nfs/dbraw/zinc/27/66/06/295276606.db2.gz UOCRGKKCNCIQCZ-KYJSFNMBSA-N 1 0 285.387 3.024 50 0 in-vitro CGAARO CO[C@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000189717341 328300796 /nfs/dbraw/zinc/30/07/96/328300796.db2.gz YFIYUYZDWMNGDO-INIZCTEOSA-N 1 0 270.376 3.154 50 0 CGAARO Clc1ccccc1-c1cc(C[NH2+]C2CCOCC2)on1 ZINC000534579714 328311246 /nfs/dbraw/zinc/31/12/46/328311246.db2.gz ZZXVKNLZXUZIHZ-UHFFFAOYSA-N 1 0 292.766 3.264 50 0 CGAARO Clc1ccc(CC2([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000534583299 328312595 /nfs/dbraw/zinc/31/25/95/328312595.db2.gz QRDSDIASKPAZQO-AWEZNQCLSA-N 1 0 265.784 3.184 50 0 CGAARO Cn1nc(C[NH2+][C@H]2CCCSC2)c2c1cccc2Cl ZINC000534637744 328334577 /nfs/dbraw/zinc/33/45/77/328334577.db2.gz MCHHGZHIUDRINX-JTQLQIEISA-N 1 0 295.839 3.212 50 0 CGAARO Clc1ccc(C2([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000309532114 328448151 /nfs/dbraw/zinc/44/81/51/328448151.db2.gz WENFBCAUABYSQN-LBPRGKRZSA-N 1 0 253.798 3.424 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1ccc(Cl)cc1 ZINC000019635894 517638581 /nfs/dbraw/zinc/63/85/81/517638581.db2.gz BZCOLRWUGYHFPN-UHFFFAOYSA-N 1 0 254.805 3.114 50 0 CGAARO Cc1cc(C[N@H+](C)CCCc2ccccc2Cl)[nH]n1 ZINC000020109835 524661121 /nfs/dbraw/zinc/66/11/21/524661121.db2.gz LCBDQOWNCKQYAJ-UHFFFAOYSA-N 1 0 277.799 3.436 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H](C)[C@H]1C ZINC000299872844 567888967 /nfs/dbraw/zinc/88/89/67/567888967.db2.gz RJBPGPJRMXKQEX-CKEIUWERSA-N 1 0 275.392 3.195 50 0 CGAARO CCCCc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(N)=O)s1 ZINC000952978667 614489806 /nfs/dbraw/zinc/48/98/06/614489806.db2.gz RJFDQXBQOJOBTR-HUUCEWRRSA-N 1 0 292.448 3.000 50 0 CGAARO COC1(OC)CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000952963152 616464413 /nfs/dbraw/zinc/46/44/13/616464413.db2.gz DFVRSYGGKNDAIE-UHFFFAOYSA-N 1 0 271.360 3.081 50 0 CGAARO Cc1cc(Cl)c(OCCCC[NH2+]CCO)c(Cl)c1 ZINC000022065023 617920515 /nfs/dbraw/zinc/92/05/15/617920515.db2.gz WHIPDGSXRBPDEU-UHFFFAOYSA-N 1 0 292.206 3.043 50 0 CGAARO C[C@H]([NH2+][C@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982498 629721902 /nfs/dbraw/zinc/72/19/02/629721902.db2.gz PDSUKOBMJJSWLS-XJKSGUPXSA-N 1 0 284.407 3.397 50 0 CGAARO CCCc1cc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2)[nH]n1 ZINC000952965210 636775105 /nfs/dbraw/zinc/77/51/05/636775105.db2.gz CDGSCFJGGOTVRL-SFHVURJKSA-N 1 0 298.434 3.073 50 0 CGAARO COc1cc(C[NH2+][C@H]2CCCc3c(OC)cccc32)ccn1 ZINC000194844013 640556659 /nfs/dbraw/zinc/55/66/59/640556659.db2.gz BYUAHVMGMPJARU-INIZCTEOSA-N 1 0 298.386 3.266 50 0 CGAARO [NH3+][C@H](CCC(F)(F)F)C1(O)CCCCCCC1 ZINC000958527511 640826891 /nfs/dbraw/zinc/82/68/91/640826891.db2.gz AXOHRKAOQONNKS-SNVBAGLBSA-N 1 0 253.308 3.132 50 0 CGAARO COCc1cc(C[N@@H+]2C[C@]3(C)CC[C@@H](C3)C2(C)C)no1 ZINC000585117362 799677100 /nfs/dbraw/zinc/67/71/00/799677100.db2.gz 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/nfs/dbraw/zinc/04/62/30/185046230.db2.gz VTYBVPSWJLWKPT-IAGOWNOFSA-N 1 0 288.435 3.107 50 0 CGAARO Cc1cc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c(C)s1 ZINC000095969270 185047568 /nfs/dbraw/zinc/04/75/68/185047568.db2.gz MAQRPPCGCKRLKB-TZMCWYRMSA-N 1 0 283.437 3.211 50 0 CGAARO Cc1cc(Cl)cc(C)c1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000095975531 185050800 /nfs/dbraw/zinc/05/08/00/185050800.db2.gz DDTLBJOMCAUTPK-XIKOKIGWSA-N 1 0 287.856 3.204 50 0 CGAARO Cc1ccccc1C[NH+]1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024291 185066919 /nfs/dbraw/zinc/06/69/19/185066919.db2.gz KAJZQTFRFOEBQP-UHFFFAOYSA-N 1 0 295.342 3.237 50 0 CGAARO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(CO)o1 ZINC000097032739 185156057 /nfs/dbraw/zinc/15/60/57/185156057.db2.gz WBVIIYNBCNIQKG-DZGCQCFKSA-N 1 0 271.360 3.150 50 0 CGAARO Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH3+])C(F)(F)F ZINC000074941785 282242439 /nfs/dbraw/zinc/24/24/39/282242439.db2.gz JEUKSJYTKIUTQK-GFCCVEGCSA-N 1 0 283.297 3.094 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000000220308 136396554 /nfs/dbraw/zinc/39/65/54/136396554.db2.gz WNNUQIOCQMNFFA-NVXWUHKLSA-N 1 0 258.409 3.387 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000016310356 344886226 /nfs/dbraw/zinc/88/62/26/344886226.db2.gz VFSCAXGPMNIWEZ-JZXOWHBKSA-N 1 0 287.403 3.339 50 0 CGAARO CC1(C)[C@@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000038679846 344956280 /nfs/dbraw/zinc/95/62/80/344956280.db2.gz HAPPJJHFYIZSBO-INIZCTEOSA-N 1 0 266.388 3.198 50 0 CGAARO COc1ccc([C@@H](O)C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000071924525 345405751 /nfs/dbraw/zinc/40/57/51/345405751.db2.gz SSTQDBQRTNUTNF-MOTZXUDYSA-N 1 0 283.371 3.032 50 0 CGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000075133706 345495804 /nfs/dbraw/zinc/49/58/04/345495804.db2.gz WUXAOXWZYNPWBE-XCACHIDISA-N 1 0 298.430 3.175 50 0 CGAARO CC(C)C[C@H]([NH3+])c1ccc(I)cc1 ZINC000142301652 346110608 /nfs/dbraw/zinc/11/06/08/346110608.db2.gz XAKXGVCSGZPDBB-NSHDSACASA-N 1 0 289.160 3.337 50 0 CGAARO CC[N@H+](CCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000170653294 346196342 /nfs/dbraw/zinc/19/63/42/346196342.db2.gz UXMXPPYGTWQZMO-UHFFFAOYSA-N 1 0 270.417 3.166 50 0 CGAARO Cc1cncc(C[NH2+]C(C)(C)c2ccc3c(c2)OCCO3)c1 ZINC000225501063 346304812 /nfs/dbraw/zinc/30/48/12/346304812.db2.gz CNUBPYIYHSLKNR-UHFFFAOYSA-N 1 0 298.386 3.186 50 0 CGAARO CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000217892220 346292025 /nfs/dbraw/zinc/29/20/25/346292025.db2.gz USNILLZDFJEBTP-OLZOCXBDSA-N 1 0 284.444 3.458 50 0 CGAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000229913060 346318945 /nfs/dbraw/zinc/31/89/45/346318945.db2.gz IGGWDIYMJQVBRP-SWLSCSKDSA-N 1 0 298.390 3.283 50 0 CGAARO C[N@@H+]1CCC[C@](O)(c2ccccc2)[C@H]1Cc1ccccc1 ZINC000261361566 346402625 /nfs/dbraw/zinc/40/26/25/346402625.db2.gz YQFNVAOMKYBVNT-MOPGFXCFSA-N 1 0 281.399 3.211 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)C2CC2)CC1 ZINC000409421153 346604967 /nfs/dbraw/zinc/60/49/67/346604967.db2.gz QTLURZXJVBCNMY-UHFFFAOYSA-N 1 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VASVMHYQGLLMKM-CYBMUJFWSA-N 1 0 290.407 3.196 50 0 CGAARO COC1(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CCOCC1 ZINC000090652614 180018662 /nfs/dbraw/zinc/01/86/62/180018662.db2.gz LUXOVOWBFGTIOH-GDBMZVCRSA-N 1 0 289.419 3.329 50 0 CGAARO COC[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717000 180030728 /nfs/dbraw/zinc/03/07/28/180030728.db2.gz ZDZSMFLFMAWAPC-HZMBPMFUSA-N 1 0 276.405 3.372 50 0 CGAARO CCc1cc(C[N@@H+]2CCC[C@](CO)(CC=C(C)C)C2)on1 ZINC000091830799 180266228 /nfs/dbraw/zinc/26/62/28/180266228.db2.gz ZBXIFSYBZQCSCS-KRWDZBQOSA-N 1 0 292.423 3.168 50 0 CGAARO C[N@H+](Cc1ccco1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091935364 180289324 /nfs/dbraw/zinc/28/93/24/180289324.db2.gz TYYGQBANTDDKHB-UHFFFAOYSA-N 1 0 294.395 3.111 50 0 CGAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000106744679 186134624 /nfs/dbraw/zinc/13/46/24/186134624.db2.gz ASQSWICOWUXMKR-QWHCGFSZSA-N 1 0 294.826 3.077 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)n2)c1 ZINC000106819922 186138178 /nfs/dbraw/zinc/13/81/78/186138178.db2.gz OODAZHFXYDAPFA-HIFRSBDPSA-N 1 0 298.390 3.144 50 0 CGAARO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107692799 186187036 /nfs/dbraw/zinc/18/70/36/186187036.db2.gz KKHWCZMBTMDYJG-LBPRGKRZSA-N 1 0 283.799 3.207 50 0 CGAARO C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CCCOC1 ZINC000119750028 186849134 /nfs/dbraw/zinc/84/91/34/186849134.db2.gz NSIFUAKEPNABHF-OAHLLOKOSA-N 1 0 270.376 3.093 50 0 CGAARO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000262302880 295889679 /nfs/dbraw/zinc/88/96/79/295889679.db2.gz BABMCIBXBPIBSJ-SUMWQHHRSA-N 1 0 282.387 3.098 50 0 CGAARO [NH3+]C[C@H]1Cc2c(ccc3cc(-c4ccncc4)ccc23)O1 ZINC000067847637 283524610 /nfs/dbraw/zinc/52/46/10/283524610.db2.gz FRCVBCSVZSWUOA-OAHLLOKOSA-N 1 0 276.339 3.164 50 0 CGAARO Cc1cccc(NC2CC[NH+]([C@@H](C)c3cnccn3)CC2)c1 ZINC000184665563 189392196 /nfs/dbraw/zinc/39/21/96/189392196.db2.gz FXEFIYOMPPAYKV-HNNXBMFYSA-N 1 0 296.418 3.423 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC)cc1 ZINC000000172081 368308060 /nfs/dbraw/zinc/30/80/60/368308060.db2.gz BTNQGADLTIKABN-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO CC(=O)O[C@@]1(c2ccccc2)CCCC[C@@H]1C[NH+](C)C ZINC000000185594 368311608 /nfs/dbraw/zinc/31/16/08/368311608.db2.gz LZVWWRCQKVEPAX-IAGOWNOFSA-N 1 0 275.392 3.197 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000000250403 368325949 /nfs/dbraw/zinc/32/59/49/368325949.db2.gz UTXPRJDVJJXPDI-ZDUSSCGKSA-N 1 0 295.810 3.300 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C)cc1OC ZINC000000263235 368328130 /nfs/dbraw/zinc/32/81/30/368328130.db2.gz KYBPMCAXERXFFP-UKRRQHHQSA-N 1 0 277.408 3.415 50 0 CGAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000000292772 368334631 /nfs/dbraw/zinc/33/46/31/368334631.db2.gz IKKFMIKMRRQBEN-GJZGRUSLSA-N 1 0 267.800 3.430 50 0 CGAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000000292770 368334810 /nfs/dbraw/zinc/33/48/10/368334810.db2.gz IKKFMIKMRRQBEN-HUUCEWRRSA-N 1 0 267.800 3.430 50 0 CGAARO [NH3+][C@H](Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000000533386 368385025 /nfs/dbraw/zinc/38/50/25/368385025.db2.gz DAMLMDCTLYBKGT-GFCCVEGCSA-N 1 0 271.751 3.459 50 0 CGAARO COc1cccc(NC(=O)CC[N@H+](C)Cc2ccccc2)c1 ZINC000001177797 368403993 /nfs/dbraw/zinc/40/39/93/368403993.db2.gz HNWKHVLDERUODK-UHFFFAOYSA-N 1 0 298.386 3.156 50 0 CGAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000001901931 368441429 /nfs/dbraw/zinc/44/14/29/368441429.db2.gz UGMRTWWXYQCHGT-FUHWJXTLSA-N 1 0 299.414 3.037 50 0 CGAARO CCC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000002641183 368471591 /nfs/dbraw/zinc/47/15/91/368471591.db2.gz WQOGNCYFTVBIDL-UHFFFAOYSA-N 1 0 251.370 3.374 50 0 CGAARO C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)C[NH+](C)C ZINC000002351754 368452134 /nfs/dbraw/zinc/45/21/34/368452134.db2.gz PFFUBHFIRMDASU-OAHLLOKOSA-N 1 0 296.414 3.281 50 0 CGAARO CCCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000002464037 368455707 /nfs/dbraw/zinc/45/57/07/368455707.db2.gz NMQFZHCFSBKKMR-UHFFFAOYSA-N 1 0 260.425 3.383 50 0 CGAARO Clc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000002768547 368476598 /nfs/dbraw/zinc/47/65/98/368476598.db2.gz KCGAJKVDWGQAFA-UHFFFAOYSA-N 1 0 275.735 3.359 50 0 CGAARO C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000002765089 368476607 /nfs/dbraw/zinc/47/66/07/368476607.db2.gz RWUHNDTZHAGOCY-UHFFFAOYSA-N 1 0 286.350 3.286 50 0 CGAARO COc1cccc(OCCC[NH+]2CCCCCC2)c1 ZINC000002839025 368481046 /nfs/dbraw/zinc/48/10/46/368481046.db2.gz SKMIFUZYDBJVJO-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO C[C@@H](C[N@H+](C)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000004021318 368526938 /nfs/dbraw/zinc/52/69/38/368526938.db2.gz ZKISNMZYDPWJGZ-YJBOKZPZSA-N 1 0 269.388 3.456 50 0 CGAARO C[C@H]([C@@H](O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000004428182 368545905 /nfs/dbraw/zinc/54/59/05/368545905.db2.gz CYSKFZFCHQFFTL-BWAJOPIQSA-N 1 0 263.425 3.048 50 0 CGAARO Cc1cc(Cl)c(OCC[NH+](C)C)c(Br)c1 ZINC000004477771 368547615 /nfs/dbraw/zinc/54/76/15/368547615.db2.gz LPGYQVYCARTKDR-UHFFFAOYSA-N 1 0 292.604 3.351 50 0 CGAARO C[NH+](C)CC[C@H](O)c1cc(Cl)sc1Cl ZINC000004489514 368548663 /nfs/dbraw/zinc/54/86/63/368548663.db2.gz PQMZCGBHWBPQDB-ZETCQYMHSA-N 1 0 254.182 3.040 50 0 CGAARO C[C@@H](CC(=O)Nc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000004579030 368551364 /nfs/dbraw/zinc/55/13/64/368551364.db2.gz ZJMPXXSPWMRTMS-KBPBESRZSA-N 1 0 260.381 3.278 50 0 CGAARO COc1ccccc1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000010218376 368578144 /nfs/dbraw/zinc/57/81/44/368578144.db2.gz INBHCEUZFICUKM-CHWSQXEVSA-N 1 0 276.405 3.199 50 0 CGAARO CCC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338442 368580130 /nfs/dbraw/zinc/58/01/30/368580130.db2.gz INHIEMRZCFJTGY-CQSZACIVSA-N 1 0 274.408 3.201 50 0 CGAARO CCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000010474780 368583519 /nfs/dbraw/zinc/58/35/19/368583519.db2.gz VLADJPJCWYUKSP-UHFFFAOYSA-N 1 0 272.186 3.347 50 0 CGAARO c1sc(CC2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000011884057 368597712 /nfs/dbraw/zinc/59/77/12/368597712.db2.gz MMDWOAPUHPHCBR-UHFFFAOYSA-N 1 0 258.390 3.352 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2ccccc2Cl)CCCCC1 ZINC000011916274 368599641 /nfs/dbraw/zinc/59/96/41/368599641.db2.gz ZEXNERUNUXHAFO-UHFFFAOYSA-N 1 0 294.826 3.334 50 0 in-vitro CGAARO CC(C)C[C@H](O)c1ccc2c(c1)C[N@@H+](CC1CC1)CCO2 ZINC000011999427 368602292 /nfs/dbraw/zinc/60/22/92/368602292.db2.gz RHBHIIKAXYNEJR-KRWDZBQOSA-N 1 0 289.419 3.371 50 0 CGAARO Cc1ccccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000012348347 368607869 /nfs/dbraw/zinc/60/78/69/368607869.db2.gz ZGCPUZVEEQEHTG-HNNXBMFYSA-N 1 0 288.416 3.089 50 0 CGAARO C[C@H]([NH2+][C@@H]1C[C@@H]2CC=C[C@H]12)c1ccc(-n2ccnc2)cc1 ZINC000013100738 368642504 /nfs/dbraw/zinc/64/25/04/368642504.db2.gz GGYDZHXFRUGJTK-QXRTWZOPSA-N 1 0 279.387 3.488 50 0 CGAARO CC(C)CC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013724581 368663394 /nfs/dbraw/zinc/66/33/94/368663394.db2.gz WMWGDIKPJBVUDG-UHFFFAOYSA-N 1 0 271.364 3.405 50 0 CGAARO CC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015356897 368693067 /nfs/dbraw/zinc/69/30/67/368693067.db2.gz VLQWRCNBZZDPNL-UHFFFAOYSA-N 1 0 285.343 3.104 50 0 CGAARO CC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000015356898 368693436 /nfs/dbraw/zinc/69/34/36/368693436.db2.gz BEISPIXDECVETD-UHFFFAOYSA-N 1 0 299.370 3.146 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000016663254 368719449 /nfs/dbraw/zinc/71/94/49/368719449.db2.gz MCLSGORXAGAISC-KRWDZBQOSA-N 1 0 267.372 3.342 50 0 CGAARO CC[C@H](C[NH2+]CCN(CC)CC)Oc1cccc(C)c1 ZINC000019737646 368763035 /nfs/dbraw/zinc/76/30/35/368763035.db2.gz XIBFYOXAKSLRIL-MRXNPFEDSA-N 1 0 278.440 3.084 50 0 CGAARO Fc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019789239 368765783 /nfs/dbraw/zinc/76/57/83/368765783.db2.gz RBGAXWHCLMAZKK-MRXNPFEDSA-N 1 0 288.410 3.300 50 0 CGAARO Clc1cccc(Cl)c1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019874067 368774388 /nfs/dbraw/zinc/77/43/88/368774388.db2.gz QXFSDXFCHFKKGK-CQSZACIVSA-N 1 0 285.218 3.177 50 0 CGAARO CN1CC[NH+](CCCCOc2cccc3ccccc32)CC1 ZINC000019367333 368749375 /nfs/dbraw/zinc/74/93/75/368749375.db2.gz QFKRNEHOIZMNHG-UHFFFAOYSA-N 1 0 298.430 3.246 50 0 CGAARO CCCOc1ccccc1Oc1ncccc1C[NH3+] ZINC000019384501 368749563 /nfs/dbraw/zinc/74/95/63/368749563.db2.gz SLHNXOSIKINPIR-UHFFFAOYSA-N 1 0 258.321 3.121 50 0 CGAARO O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000019412303 368751136 /nfs/dbraw/zinc/75/11/36/368751136.db2.gz JAQFHQSRZYUEIC-HNNXBMFYSA-N 1 0 280.371 3.292 50 0 CGAARO CC[N@H+](Cc1ccccc1)Cc1ccc(O)c(OC)c1 ZINC000023282239 368819515 /nfs/dbraw/zinc/81/95/15/368819515.db2.gz POXBSGAZGUPDLO-UHFFFAOYSA-N 1 0 271.360 3.423 50 0 CGAARO CCC[N@H+](CCO)Cc1ccc(OC)c2ccccc12 ZINC000023281505 368819720 /nfs/dbraw/zinc/81/97/20/368819720.db2.gz JQQWHFFFRFHBEZ-UHFFFAOYSA-N 1 0 273.376 3.053 50 0 CGAARO CCC[N@@H+](Cc1cccc(OC)c1OC)CC1CC1 ZINC000023281254 368820523 /nfs/dbraw/zinc/82/05/23/368820523.db2.gz VIYQUKCFIQYNCF-UHFFFAOYSA-N 1 0 263.381 3.326 50 0 CGAARO O[C@]1(c2ccccc2)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000019923788 368786440 /nfs/dbraw/zinc/78/64/40/368786440.db2.gz GETWLPVVXVVUEZ-ROUUACIJSA-N 1 0 267.372 3.217 50 0 CGAARO CSc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000030908614 368909505 /nfs/dbraw/zinc/90/95/05/368909505.db2.gz APVRTTNQJKBERC-OAHLLOKOSA-N 1 0 287.432 3.309 50 0 CGAARO Clc1ccc(COC2CC[NH2+]CC2)c(Cl)c1 ZINC000031839930 368919683 /nfs/dbraw/zinc/91/96/83/368919683.db2.gz VLKTXPSMKXSBJH-UHFFFAOYSA-N 1 0 260.164 3.262 50 0 CGAARO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2ccccc2c1=O ZINC000032561868 368935989 /nfs/dbraw/zinc/93/59/89/368935989.db2.gz VNZBFOHWLXTBGM-OAHLLOKOSA-N 1 0 299.418 3.050 50 0 CGAARO CC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000033359574 368963083 /nfs/dbraw/zinc/96/30/83/368963083.db2.gz FDMOHNPDSYHYCT-UHFFFAOYSA-N 1 0 286.419 3.155 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000036096892 369008402 /nfs/dbraw/zinc/00/84/02/369008402.db2.gz BCQQMNPHAQYDSG-AEFFLSMTSA-N 1 0 293.451 3.321 50 0 CGAARO C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000035052927 368993078 /nfs/dbraw/zinc/99/30/78/368993078.db2.gz GVEMSOPLYLTIQY-WBVHZDCISA-N 1 0 299.414 3.311 50 0 CGAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCC2)cn1 ZINC000039420566 369150432 /nfs/dbraw/zinc/15/04/32/369150432.db2.gz XHVKJAFEIOENNU-UHFFFAOYSA-N 1 0 269.348 3.219 50 0 CGAARO COC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000042228522 369205320 /nfs/dbraw/zinc/20/53/20/369205320.db2.gz JUWPWNAYTLUXLL-UHFFFAOYSA-N 1 0 284.197 3.060 50 0 CGAARO Cc1ccc(Cl)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772368 369231420 /nfs/dbraw/zinc/23/14/20/369231420.db2.gz ACWAPVCPEFYZPY-GFCCVEGCSA-N 1 0 253.773 3.417 50 0 CGAARO CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048344940 369342820 /nfs/dbraw/zinc/34/28/20/369342820.db2.gz FPYTWGPOSIZYAC-HUUCEWRRSA-N 1 0 288.435 3.191 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000048482606 369356077 /nfs/dbraw/zinc/35/60/77/369356077.db2.gz SLQFVDJIELOVDC-STQMWFEESA-N 1 0 294.826 3.048 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000053385727 369484014 /nfs/dbraw/zinc/48/40/14/369484014.db2.gz ADKLAILQTBHSBI-MSOLQXFVSA-N 1 0 272.436 3.431 50 0 CGAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(C)cc1 ZINC000057463264 369539448 /nfs/dbraw/zinc/53/94/48/369539448.db2.gz HRLPPQJLPKZYTD-FUHWJXTLSA-N 1 0 283.371 3.153 50 0 CGAARO Cc1cc(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)[nH]n1 ZINC000055271522 369513044 /nfs/dbraw/zinc/51/30/44/369513044.db2.gz KRZILARWKSRIQU-CYBMUJFWSA-N 1 0 261.369 3.358 50 0 CGAARO CS[C@@H](C)CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000055413249 369515891 /nfs/dbraw/zinc/51/58/91/369515891.db2.gz TXAJKAXPPUIHFA-ZDUSSCGKSA-N 1 0 269.458 3.020 50 0 CGAARO CC1=C(C)[C@H]([NH2+]CCC(C)C)N(Cc2ccccc2)C1=O ZINC000057049720 369530801 /nfs/dbraw/zinc/53/08/01/369530801.db2.gz UIGRAISZOHKREJ-QGZVFWFLSA-N 1 0 286.419 3.327 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1OC ZINC000061588899 369602752 /nfs/dbraw/zinc/60/27/52/369602752.db2.gz NEOJSELXGNQOEK-DGCLKSJQSA-N 1 0 281.421 3.250 50 0 CGAARO Cc1cccc(C[N@@H+](C)[C@H](C)Cc2ncccc2C)n1 ZINC000065372095 369669556 /nfs/dbraw/zinc/66/95/56/369669556.db2.gz ZEFIQJAOGHDACO-OAHLLOKOSA-N 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3.067 50 0 CGAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)o2)n[nH]1 ZINC000065489246 369679448 /nfs/dbraw/zinc/67/94/48/369679448.db2.gz WNOLXKZKYMHACF-INIZCTEOSA-N 1 0 294.358 3.402 50 0 CGAARO O=C(c1cc2ccccc2o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000065499608 369679578 /nfs/dbraw/zinc/67/95/78/369679578.db2.gz HVVDFHCWSJJCNY-HNNXBMFYSA-N 1 0 298.386 3.133 50 0 CGAARO C=Cc1cccc(C[N@@H+](C)Cc2cnn(C)c2C)c1 ZINC000067559951 369720659 /nfs/dbraw/zinc/72/06/59/369720659.db2.gz WMKVBCBQRMQIIM-UHFFFAOYSA-N 1 0 255.365 3.004 50 0 CGAARO CCc1nc(C)c(CN2CCC[C@H]2c2ccccn2)[nH]1 ZINC000067967081 369737298 /nfs/dbraw/zinc/73/72/98/369737298.db2.gz NUNXTIWXTRRPLQ-HNNXBMFYSA-N 1 0 270.380 3.013 50 0 CGAARO COc1ccc2cc(C(=O)[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000067947748 369737382 /nfs/dbraw/zinc/73/73/82/369737382.db2.gz QHMRVCACEBGSQG-HNNXBMFYSA-N 1 0 269.344 3.031 50 0 CGAARO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H](C)n1cccn1 ZINC000069372679 369757728 /nfs/dbraw/zinc/75/77/28/369757728.db2.gz 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ZINC000306462783 542421180 /nfs/dbraw/zinc/42/11/80/542421180.db2.gz APSFVWLHYYFSDW-RDJZCZTQSA-N 1 0 264.372 3.328 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1C(C)(C)C ZINC000001188190 169691361 /nfs/dbraw/zinc/69/13/61/169691361.db2.gz UHWJPVZFBUZSSG-ZDUSSCGKSA-N 1 0 279.424 3.112 50 0 CGAARO Clc1cc2nc(C3CC[NH2+]CC3)[nH]c2cc1Cl ZINC000003639591 391918375 /nfs/dbraw/zinc/91/83/75/391918375.db2.gz RLULJFAFKCOCFR-UHFFFAOYSA-N 1 0 270.163 3.337 50 0 CGAARO Cc1ccc(O[C@@H](C)CC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000022064972 391944496 /nfs/dbraw/zinc/94/44/96/391944496.db2.gz GJFRILIBKQXQBC-HOTGVXAUSA-N 1 0 277.408 3.263 50 0 CGAARO CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCC(CC)CC1 ZINC000023280888 391946444 /nfs/dbraw/zinc/94/64/44/391946444.db2.gz LFFDNVDWDYHKCY-YMAMQOFZSA-N 1 0 267.413 3.373 50 0 CGAARO Cc1noc([C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000054676685 392093616 /nfs/dbraw/zinc/09/36/16/392093616.db2.gz RFZWIEQJJVKTJL-AWEZNQCLSA-N 1 0 263.385 3.138 50 0 CGAARO CC[C@H](CO)[N@H+](CCCSC)Cc1ccc(F)cc1 ZINC000055134045 392096409 /nfs/dbraw/zinc/09/64/09/392096409.db2.gz OAZHRXRFBLJKQB-OAHLLOKOSA-N 1 0 285.428 3.152 50 0 CGAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000058163311 392112835 /nfs/dbraw/zinc/11/28/35/392112835.db2.gz BIVRYKMNSYIJCI-LBPRGKRZSA-N 1 0 288.778 3.457 50 0 CGAARO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000095421178 392243180 /nfs/dbraw/zinc/24/31/80/392243180.db2.gz KBJTZDYXEUUTAZ-MNOVXSKESA-N 1 0 298.312 3.036 50 0 CGAARO CC1(C)Cc2occc2[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000096476313 392256482 /nfs/dbraw/zinc/25/64/82/392256482.db2.gz NRNBSNRYJDYEHR-AWEZNQCLSA-N 1 0 273.380 3.170 50 0 CGAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000262762721 131259416 /nfs/dbraw/zinc/25/94/16/131259416.db2.gz RDPGJYKMRPAPQD-SUMWQHHRSA-N 1 0 297.402 3.024 50 0 CGAARO CC[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCOC(C)(C)C1 ZINC000291526252 392464090 /nfs/dbraw/zinc/46/40/90/392464090.db2.gz JRKVYDHFEPZFRC-OAHLLOKOSA-N 1 0 287.407 3.342 50 0 CGAARO CC1(C)C[N@H+](CCCn2ccnc2)C[C@H]1c1ccccc1 ZINC000375001245 392726779 /nfs/dbraw/zinc/72/67/79/392726779.db2.gz ALNQWSOEZMHOLS-KRWDZBQOSA-N 1 0 283.419 3.399 50 0 CGAARO CCc1cccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193993285 392894750 /nfs/dbraw/zinc/89/47/50/392894750.db2.gz SWNCFSOBGKLSTI-INIZCTEOSA-N 1 0 299.418 3.231 50 0 CGAARO CC(C)[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCC1 ZINC000230216953 393024020 /nfs/dbraw/zinc/02/40/20/393024020.db2.gz WAIXOCPFCUJNSN-IJEWVQPXSA-N 1 0 280.456 3.190 50 0 CGAARO NC(=O)c1csc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000585089221 542768611 /nfs/dbraw/zinc/76/86/11/542768611.db2.gz HFCSXPSKACCHAS-CQSZACIVSA-N 1 0 278.421 3.002 50 0 CGAARO Cc1nccn1C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000670440459 543154676 /nfs/dbraw/zinc/15/46/76/543154676.db2.gz QVAUEQLKRQFIPI-MRXNPFEDSA-N 1 0 295.430 3.071 50 0 CGAARO CC[C@H]1CC[N@H+](Cc2ccccc2OCCn2ccnc2)C1 ZINC000670467084 543156528 /nfs/dbraw/zinc/15/65/28/543156528.db2.gz LNNUZHVMHMZBMF-INIZCTEOSA-N 1 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ZISMFCUMEUFDFU-QGZVFWFLSA-N 1 0 255.361 3.214 50 0 CGAARO Cc1cc(C)cc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004744694 170010560 /nfs/dbraw/zinc/01/05/60/170010560.db2.gz OUWAVPTUQJPSJR-CYBMUJFWSA-N 1 0 274.408 3.364 50 0 CGAARO C[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000004785341 170017124 /nfs/dbraw/zinc/01/71/24/170017124.db2.gz XQJWQRIAJQOCBB-GFCCVEGCSA-N 1 0 256.349 3.083 50 0 CGAARO O[C@@]1(c2ccccc2)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000004828140 170024876 /nfs/dbraw/zinc/02/48/76/170024876.db2.gz NYYZELOAEDIUSR-IRXDYDNUSA-N 1 0 259.393 3.303 50 0 CGAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004891777 170036804 /nfs/dbraw/zinc/03/68/04/170036804.db2.gz KJHFHAALQQNXMP-SJORKVTESA-N 1 0 272.392 3.258 50 0 CGAARO C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000004906981 170040055 /nfs/dbraw/zinc/04/00/55/170040055.db2.gz BLOPYCFXBFDHAH-UHFFFAOYSA-N 1 0 259.324 3.337 50 0 CGAARO Cc1ccsc1C[N@H+](CCO)Cc1ccccc1 ZINC000004988770 170049498 /nfs/dbraw/zinc/04/94/98/170049498.db2.gz CKTZJOTXNYULMR-UHFFFAOYSA-N 1 0 261.390 3.051 50 0 CGAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000005559752 170113753 /nfs/dbraw/zinc/11/37/53/170113753.db2.gz INACUIBQMCMRKE-SJLPKXTDSA-N 1 0 299.414 3.394 50 0 CGAARO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH+]1CCCC1 ZINC000005696611 170129766 /nfs/dbraw/zinc/12/97/66/170129766.db2.gz YEFYZIWNQZRBRE-LLVKDONJSA-N 1 0 266.772 3.153 50 0 CGAARO C[N@@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccco2)C1 ZINC000005698968 170130359 /nfs/dbraw/zinc/13/03/59/170130359.db2.gz FIMPJCWBSXAFIG-ZIAGYGMSSA-N 1 0 289.762 3.461 50 0 CGAARO CCOc1cccc(C[NH2+]C)c1OCc1ccccc1 ZINC000005906979 170152915 /nfs/dbraw/zinc/15/29/15/170152915.db2.gz HGFLNMHSJCBHED-UHFFFAOYSA-N 1 0 271.360 3.384 50 0 CGAARO Cc1cc(C(C)(C)C)cc(C)c1C[n+]1cccc(C(N)=O)c1 ZINC000006671100 170225063 /nfs/dbraw/zinc/22/50/63/170225063.db2.gz CZQDMWBEMIZLJI-UHFFFAOYSA-O 1 0 297.422 3.036 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1cccc(F)c1 ZINC000019720841 170843592 /nfs/dbraw/zinc/84/35/92/170843592.db2.gz QFWUWAVFDVGSIT-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Brc1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000020221701 171083049 /nfs/dbraw/zinc/08/30/49/171083049.db2.gz OJLGKAQDJPNIJO-LLVKDONJSA-N 1 0 284.197 3.360 50 0 CGAARO CC[C@@H](C)c1ccc(OCCN2CC[NH+](CC)CC2)cc1 ZINC000020390503 171179741 /nfs/dbraw/zinc/17/97/41/171179741.db2.gz DLXYBNFBIUNOOD-MRXNPFEDSA-N 1 0 290.451 3.216 50 0 CGAARO CC[NH+](CC)CCCNc1ccc(-c2ccccc2)nn1 ZINC000020734739 171271205 /nfs/dbraw/zinc/27/12/05/171271205.db2.gz PDWMXZLXWXLVMY-UHFFFAOYSA-N 1 0 284.407 3.287 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000020865682 171276669 /nfs/dbraw/zinc/27/66/69/171276669.db2.gz ZKIAFYXCJDVJTD-MRXNPFEDSA-N 1 0 285.391 3.078 50 0 CGAARO CCc1noc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C)cc2)n1 ZINC000020908703 171278810 /nfs/dbraw/zinc/27/88/10/171278810.db2.gz CROOVDAOKHVUTH-QWHCGFSZSA-N 1 0 273.380 3.222 50 0 CGAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000020928037 171280498 /nfs/dbraw/zinc/28/04/98/171280498.db2.gz RGEKSGSRGHLZBH-OAHLLOKOSA-N 1 0 291.778 3.172 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]CCN1CCCCC1 ZINC000022045040 171350834 /nfs/dbraw/zinc/35/08/34/171350834.db2.gz HCARPNGFUIAUHZ-MRXNPFEDSA-N 1 0 260.425 3.083 50 0 CGAARO CCN(CC)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC000033969568 171828336 /nfs/dbraw/zinc/82/83/36/171828336.db2.gz GRLIVEWNSBETGE-LBPRGKRZSA-N 1 0 264.369 3.150 50 0 in-vitro CGAARO Fc1ccc(-c2nc(C[NH2+]C[C@H]3CCCO3)cs2)cc1 ZINC000035163437 172024910 /nfs/dbraw/zinc/02/49/10/172024910.db2.gz YISLBUVNMUBOOH-CQSZACIVSA-N 1 0 292.379 3.218 50 0 CGAARO Clc1cc(Cl)cc(C[NH2+]CCN2CCCC2)c1 ZINC000037423606 173199556 /nfs/dbraw/zinc/19/95/56/173199556.db2.gz RNAWFIUOMITIAJ-UHFFFAOYSA-N 1 0 273.207 3.179 50 0 CGAARO C[N@@H+]1CCCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000038682238 174152176 /nfs/dbraw/zinc/15/21/76/174152176.db2.gz CLPRJHUAYPVSPX-GOSISDBHSA-N 1 0 281.399 3.407 50 0 CGAARO CCCN(CCC)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049992 174184773 /nfs/dbraw/zinc/18/47/73/174184773.db2.gz FILDLHDZQMXSJZ-QGZVFWFLSA-N 1 0 288.435 3.254 50 0 CGAARO c1ccc(-c2ccccc2OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042772420 174871563 /nfs/dbraw/zinc/87/15/63/174871563.db2.gz HQGOBGCUNHTYMQ-CQSZACIVSA-N 1 0 253.345 3.342 50 0 CGAARO COc1ccc(-c2ccc3[nH]cc(CC[NH3+])c3c2)cc1 ZINC000071598550 176222574 /nfs/dbraw/zinc/22/25/74/176222574.db2.gz WWNPFIPTGPPDGD-UHFFFAOYSA-N 1 0 266.344 3.345 50 0 CGAARO CC(C)c1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cn1 ZINC000071757016 176260725 /nfs/dbraw/zinc/26/07/25/176260725.db2.gz GWTZFNYEVXRTPC-UCUFBTAOSA-N 1 0 285.435 3.468 50 0 CGAARO CCC[NH+](CCC)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000071797366 176265127 /nfs/dbraw/zinc/26/51/27/176265127.db2.gz ZKEYHFITTCBPMG-KRWDZBQOSA-N 1 0 293.451 3.474 50 0 CGAARO CS[C@H](C)CC[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000072138817 176322816 /nfs/dbraw/zinc/32/28/16/176322816.db2.gz CPBWKGIOCMMFPJ-MRXNPFEDSA-N 1 0 292.492 3.254 50 0 CGAARO FC(F)Oc1cccc(C[NH+]2CC(c3ccccn3)C2)c1 ZINC000072149473 176326538 /nfs/dbraw/zinc/32/65/38/176326538.db2.gz APOCYVTYSWGHBT-UHFFFAOYSA-N 1 0 290.313 3.282 50 0 CGAARO c1[nH]nc2c1cccc2C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000072312310 176367391 /nfs/dbraw/zinc/36/73/91/176367391.db2.gz ZIFNVBRERHIVAW-UHFFFAOYSA-N 1 0 276.343 3.334 50 0 CGAARO CC(C)[N@@H+]1CC[C@H](Cc2cccc(Br)n2)C1 ZINC000072344243 176372598 /nfs/dbraw/zinc/37/25/98/176372598.db2.gz GRYQCTJCNVOPCQ-LLVKDONJSA-N 1 0 283.213 3.117 50 0 CGAARO C[C@@H]1CCCC[C@H]1OCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076682112 177059185 /nfs/dbraw/zinc/05/91/85/177059185.db2.gz GIXNVBJCPQBDHW-FGTMMUONSA-N 1 0 294.483 3.142 50 0 CGAARO Cc1csc(C[NH2+]C[C@@H](C)c2nc3ccccc3o2)n1 ZINC000078975492 177410787 /nfs/dbraw/zinc/41/07/87/177410787.db2.gz QURFYRZFWKKUTF-SNVBAGLBSA-N 1 0 287.388 3.486 50 0 CGAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000001475837 416444368 /nfs/dbraw/zinc/44/43/68/416444368.db2.gz ZMYPNJFMGYZGEG-INIZCTEOSA-N 1 0 291.435 3.282 50 0 CGAARO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)C(C)(C)C(F)F ZINC000657993852 419485271 /nfs/dbraw/zinc/48/52/71/419485271.db2.gz LYFINCQUYMDSDW-LLVKDONJSA-N 1 0 294.349 3.037 50 0 CGAARO Fc1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019842442 274915477 /nfs/dbraw/zinc/91/54/77/274915477.db2.gz UVNNTJVBYMBPSE-UHFFFAOYSA-N 1 0 276.399 3.276 50 0 CGAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000004838241 275048634 /nfs/dbraw/zinc/04/86/34/275048634.db2.gz UXHFDNCGYXGZOJ-LBPRGKRZSA-N 1 0 273.298 3.052 50 0 CGAARO CC(=O)N(CCC[NH+](C)C)C[C@@H]1[C@H](C)C=C(C)C[C@@H]1C ZINC000226755503 277970767 /nfs/dbraw/zinc/97/07/67/277970767.db2.gz ZLYRCIIIWXAQLB-HLLBOEOZSA-N 1 0 280.456 3.025 50 0 biogenic CGAARO CC(C)c1ccc([C@@H](C)[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000097086026 278044295 /nfs/dbraw/zinc/04/42/95/278044295.db2.gz NQGOKIWDIAXPMM-CYBMUJFWSA-N 1 0 289.423 3.004 50 0 CGAARO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000072379965 279291403 /nfs/dbraw/zinc/29/14/03/279291403.db2.gz UTNRQTUQRNEXRV-NSHDSACASA-N 1 0 261.756 3.197 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071828171 281769074 /nfs/dbraw/zinc/76/90/74/281769074.db2.gz WXADSKXFHYXCKH-WMZOPIPTSA-N 1 0 299.418 3.284 50 0 CGAARO [NH3+][C@H]1CCCCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000082133908 295333414 /nfs/dbraw/zinc/33/34/14/295333414.db2.gz JJHHCGLNAWZMIT-LBPRGKRZSA-N 1 0 275.783 3.206 50 0 CGAARO Nc1nc2ccc(-c3cccc4c3CC[NH2+]C4)cc2s1 ZINC000071759605 295370331 /nfs/dbraw/zinc/37/03/31/295370331.db2.gz LYAGCBXNIYRAMI-UHFFFAOYSA-N 1 0 281.384 3.191 50 0 CGAARO Cc1cc(C[NH2+]C[C@@H](O)c2ccco2)ccc1Cl ZINC000096500116 533697254 /nfs/dbraw/zinc/69/72/54/533697254.db2.gz PUFFPVXYUZHSDD-CYBMUJFWSA-N 1 0 265.740 3.065 50 0 CGAARO c1cnc2c(c1)cccc2OCC[NH2+][C@H]1CCCSC1 ZINC000534579734 328311214 /nfs/dbraw/zinc/31/12/14/328311214.db2.gz CJTFKCYOIYQOOR-AWEZNQCLSA-N 1 0 288.416 3.099 50 0 CGAARO Clc1ccc(-c2cc(C[NH2+]C3CCOCC3)on2)cc1 ZINC000534581346 328311881 /nfs/dbraw/zinc/31/18/81/328311881.db2.gz IVQUCGQCVSIROS-UHFFFAOYSA-N 1 0 292.766 3.264 50 0 CGAARO CC(C)c1cc(CN[C@@H](C)C[NH+]2CCCCCC2)no1 ZINC000534644109 328329804 /nfs/dbraw/zinc/32/98/04/328329804.db2.gz XFCCASYNOHHIAQ-AWEZNQCLSA-N 1 0 279.428 3.152 50 0 CGAARO O=C(c1ccc(F)cc1)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514898 501075969 /nfs/dbraw/zinc/07/59/69/501075969.db2.gz SSBRRHNBZJVAOP-UHFFFAOYSA-N 1 0 281.330 3.429 50 0 CGAARO CCC[C@@H]1CN(Cc2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000068700626 520840565 /nfs/dbraw/zinc/84/05/65/520840565.db2.gz KXCTZCCROVMVMI-SJORKVTESA-N 1 0 278.415 3.424 50 0 CGAARO COc1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000055543361 524556966 /nfs/dbraw/zinc/55/69/66/524556966.db2.gz RAESXBFIEGXDCZ-UHFFFAOYSA-N 1 0 288.416 3.079 50 0 CGAARO COc1ccc([C@H]2CC[N@H+](CCc3ccncc3)C2)cc1 ZINC000155325144 525419198 /nfs/dbraw/zinc/41/91/98/525419198.db2.gz QBQGEVSVGLKQJR-KRWDZBQOSA-N 1 0 282.387 3.122 50 0 CGAARO COc1ccc([C@H]([NH2+]C2CCCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000243892923 536929627 /nfs/dbraw/zinc/92/96/27/536929627.db2.gz ALZWRKZNJMTXQP-QEORTHHSSA-N 1 0 293.382 3.179 50 0 CGAARO CC(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000252500016 567060197 /nfs/dbraw/zinc/06/01/97/567060197.db2.gz SLYXSMNUCMVICU-MRXNPFEDSA-N 1 0 288.435 3.059 50 0 CGAARO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccccn3)C2)c1 ZINC000083403179 570332323 /nfs/dbraw/zinc/33/23/23/570332323.db2.gz LONXQOBQHHLNMJ-AWEZNQCLSA-N 1 0 298.386 3.088 50 0 CGAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)C2CC=CC2)cc1 ZINC000952983328 615954513 /nfs/dbraw/zinc/95/45/13/615954513.db2.gz UFSZUGUAJAWYSH-GOSISDBHSA-N 1 0 298.430 3.378 50 0 CGAARO Cc1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1 ZINC000022184856 617994793 /nfs/dbraw/zinc/99/47/93/617994793.db2.gz GIRUYWNYWYCDQG-UHFFFAOYSA-N 1 0 277.408 3.122 50 0 CGAARO COc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000002497151 618169578 /nfs/dbraw/zinc/16/95/78/618169578.db2.gz BGYPSITVHCCBRD-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO CC[NH+](CC)CCOCCOc1cc(C)cc(C)c1C ZINC000002896659 618651235 /nfs/dbraw/zinc/65/12/35/618651235.db2.gz PLHXVZWWOKZUEJ-UHFFFAOYSA-N 1 0 279.424 3.349 50 0 CGAARO CCOc1cccc(OCCC[NH+](CC)CC)c1 ZINC000003001201 618679305 /nfs/dbraw/zinc/67/93/05/618679305.db2.gz DASOGBOPEFCUTQ-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)[NH2+]CC2 ZINC000004832312 619215280 /nfs/dbraw/zinc/21/52/80/619215280.db2.gz MAHCADRFWTWORG-GOSISDBHSA-N 1 0 283.371 3.247 50 0 CGAARO Fc1ccc(F)c(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000106475869 619248839 /nfs/dbraw/zinc/24/88/39/619248839.db2.gz DVCZQHSMWXNWQU-OAHLLOKOSA-N 1 0 288.341 3.333 50 0 CGAARO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984672 629721601 /nfs/dbraw/zinc/72/16/01/629721601.db2.gz YNYIZDSUTPASDS-CHWSQXEVSA-N 1 0 291.420 3.224 50 0 CGAARO Cc1cccc(N2CCC([NH2+]Cc3ccoc3)CC2)c1 ZINC000952964167 636774820 /nfs/dbraw/zinc/77/48/20/636774820.db2.gz BQRNGKCXCWKFGX-UHFFFAOYSA-N 1 0 270.376 3.347 50 0 CGAARO Cc1cc2cc(NC(=O)CC3CC[NH2+]CC3)ccc2o1 ZINC000952970673 636776099 /nfs/dbraw/zinc/77/60/99/636776099.db2.gz CSQYOELPLUZVRX-UHFFFAOYSA-N 1 0 272.348 3.069 50 0 CGAARO C(=C/c1ccccc1)\C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000015065064 640972994 /nfs/dbraw/zinc/97/29/94/640972994.db2.gz PWHYZLIKYRAPON-XBXARRHUSA-N 1 0 290.370 3.070 50 0 CGAARO Cc1ccsc1C[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000020910095 641044768 /nfs/dbraw/zinc/04/47/68/641044768.db2.gz IEFKKXUTSNLVBO-MRXNPFEDSA-N 1 0 273.401 3.150 50 0 CGAARO Fc1ccc(F)c(C[NH2+][C@H]2COc3ccccc3C2)c1F ZINC000020785047 641045171 /nfs/dbraw/zinc/04/51/71/641045171.db2.gz VHTWZCJRQHIJBG-LLVKDONJSA-N 1 0 293.288 3.197 50 0 CGAARO Cc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000005730697 798836912 /nfs/dbraw/zinc/83/69/12/798836912.db2.gz VWZYVUSISCBLJJ-IRXDYDNUSA-N 1 0 287.403 3.416 50 0 CGAARO O=C(CC1CCCCC1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000023506233 798838785 /nfs/dbraw/zinc/83/87/85/798838785.db2.gz UAYDNPVJXNCKOO-QGZVFWFLSA-N 1 0 292.467 3.291 50 0 CGAARO Cc1ccc(C)c(OCCOCC[NH+]2CCCCC2)c1 ZINC000023549838 798838935 /nfs/dbraw/zinc/83/89/35/798838935.db2.gz UAPCOUDBOFEUJO-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO CNC(=O)c1ccccc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000426612516 799605926 /nfs/dbraw/zinc/60/59/26/799605926.db2.gz FDGLQPSMZDMPSP-CYBMUJFWSA-N 1 0 282.387 3.336 50 0 CGAARO CCN(Cc1ccncc1)C1C[NH+](C2CCCCCC2)C1 ZINC000581776654 799674470 /nfs/dbraw/zinc/67/44/70/799674470.db2.gz ZWWMSCDGRGSSIM-UHFFFAOYSA-N 1 0 287.451 3.311 50 0 CGAARO CCOc1ccccc1C[NH+]1CCC2(CC[C@@H]2OC)CC1 ZINC000581803760 799675039 /nfs/dbraw/zinc/67/50/39/799675039.db2.gz UJAGQKNMSLPQKT-KRWDZBQOSA-N 1 0 289.419 3.476 50 0 CGAARO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)C1 ZINC000585117148 799677230 /nfs/dbraw/zinc/67/72/30/799677230.db2.gz SDOYGJOEKQMTPA-GXTWGEPZSA-N 1 0 270.376 3.196 50 0 CGAARO C=Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000820516339 800454591 /nfs/dbraw/zinc/45/45/91/800454591.db2.gz CNODLDZDJUSIJU-UHFFFAOYSA-N 1 0 294.402 3.196 50 0 CGAARO CC[C@@H](C(=O)NC(C)(C)c1ccc(C)cc1)[N@H+](C)CC ZINC000822549822 800461514 /nfs/dbraw/zinc/46/15/14/800461514.db2.gz XHVXBYUEIICBKO-HNNXBMFYSA-N 1 0 276.424 3.077 50 0 CGAARO CC[C@H](C(=O)NCc1cccc2ccccc21)[N@H+](C)CC ZINC000822555809 800461643 /nfs/dbraw/zinc/46/16/43/800461643.db2.gz PBOCFELIUNYMOJ-QGZVFWFLSA-N 1 0 284.403 3.186 50 0 CGAARO CC/C=C(/C[NH2+][C@H]1CC(=O)N(CCC)C1)c1ccccc1 ZINC000952873500 800686126 /nfs/dbraw/zinc/68/61/26/800686126.db2.gz ZSGCMVNYIWMZFI-KZRVJCNKSA-N 1 0 286.419 3.081 50 0 CGAARO Cc1cc(F)ccc1N1CCC([NH2+]Cc2ccccn2)CC1 ZINC001506404107 937989584 /nfs/dbraw/zinc/98/95/84/937989584.db2.gz BCOHRSRMJRRBLB-UHFFFAOYSA-N 1 0 299.393 3.288 50 0 CGAARO Cn1cc(C[N@H+](Cc2ccccc2)C2CCCC2)cn1 ZINC001506431745 937990052 /nfs/dbraw/zinc/99/00/52/937990052.db2.gz XNGRYHKRZJWHOS-UHFFFAOYSA-N 1 0 269.392 3.365 50 0 CGAARO CC[N@@H+]1CC[C@H](Nc2ccc3cccc(Cl)c3n2)C1 ZINC001506422097 937990066 /nfs/dbraw/zinc/99/00/66/937990066.db2.gz ZTFAVTMWIYJKKD-LBPRGKRZSA-N 1 0 275.783 3.394 50 0 CGAARO CC(C)[C@@H](CNc1ncccc1Cl)[NH+]1CCCC1 ZINC001529104707 938070795 /nfs/dbraw/zinc/07/07/95/938070795.db2.gz SIJYTNMKHWPXAP-CYBMUJFWSA-N 1 0 267.804 3.267 50 0 CGAARO CN(CCC(C)(C)O)CC1([NH+]2CCCCC2)CCCCC1 ZINC001529172415 938071494 /nfs/dbraw/zinc/07/14/94/938071494.db2.gz LKBSLGJAWVGRBO-UHFFFAOYSA-N 1 0 296.499 3.268 50 0 CGAARO NC(=[NH2+])c1ccc(-c2cccnc2)cc1C(F)(F)F ZINC000408525965 230406462 /nfs/dbraw/zinc/40/64/62/230406462.db2.gz FGDMVHRWJQQBEW-UHFFFAOYSA-N 1 0 265.238 3.051 50 0 CGAARO C[C@@H](c1ccc(-c2nc(CO)cs2)cc1)[NH+]1CCCC1 ZINC000426534482 230422404 /nfs/dbraw/zinc/42/24/04/230422404.db2.gz PMXYAMFPVGBDPF-LBPRGKRZSA-N 1 0 288.416 3.459 50 0 CGAARO OCC[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000095984410 185054939 /nfs/dbraw/zinc/05/49/39/185054939.db2.gz HJHVKDRSKBFZBA-INIZCTEOSA-N 1 0 277.314 3.178 50 0 CGAARO COc1ccc([C@H](C)C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000095986771 185056813 /nfs/dbraw/zinc/05/68/13/185056813.db2.gz MPIPCQLTAVKIJU-HLLBOEOZSA-N 1 0 290.451 3.213 50 0 CGAARO COc1ccc([C@H](C)C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000097033874 185156168 /nfs/dbraw/zinc/15/61/68/185156168.db2.gz UHVVCDXJDLLBPD-OAHLLOKOSA-N 1 0 299.418 3.332 50 0 CGAARO C[NH+](C)[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159224439 282256879 /nfs/dbraw/zinc/25/68/79/282256879.db2.gz NKIRZUOPXVEJJL-LBPRGKRZSA-N 1 0 291.345 3.043 50 0 CGAARO C[N@H+](CCSCc1ccon1)Cc1ccccc1 ZINC000193636185 529929246 /nfs/dbraw/zinc/92/92/46/529929246.db2.gz MXTHVVZVHRNTPS-UHFFFAOYSA-N 1 0 262.378 3.040 50 0 CGAARO C[NH2+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004073704 529956632 /nfs/dbraw/zinc/95/66/32/529956632.db2.gz AYQJYTPOTCIKIA-UHFFFAOYSA-N 1 0 296.197 3.449 50 0 CGAARO C[NH2+]CCCOc1cccc(Oc2ccccc2)c1 ZINC000002845316 529971842 /nfs/dbraw/zinc/97/18/42/529971842.db2.gz YQLVICLGJVPGCZ-UHFFFAOYSA-N 1 0 257.333 3.467 50 0 CGAARO CC(C)[NH2+]C[C@H](O)CSc1cccc2ccccc21 ZINC000003622249 344858462 /nfs/dbraw/zinc/85/84/62/344858462.db2.gz CMCCJYGFNHQHCP-AWEZNQCLSA-N 1 0 275.417 3.291 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)CSc1ccc2ccccc2c1 ZINC000035676512 344942873 /nfs/dbraw/zinc/94/28/73/344942873.db2.gz AJSAFKNPDPGBGZ-OAHLLOKOSA-N 1 0 275.417 3.291 50 0 CGAARO O=C(C[N@@H+]1CCC2(C1)CCCCCC2)Nc1cccnc1 ZINC000075105996 345495405 /nfs/dbraw/zinc/49/54/05/345495405.db2.gz XLZNWYOIMBCQMW-UHFFFAOYSA-N 1 0 287.407 3.066 50 0 CGAARO CN(C)c1cccc(C[NH2+]Cc2ccccc2F)c1 ZINC000078757921 345621821 /nfs/dbraw/zinc/62/18/21/345621821.db2.gz OFGNVYMPKCNWKQ-UHFFFAOYSA-N 1 0 258.340 3.182 50 0 CGAARO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1)c1ccccc1 ZINC000078947942 345625884 /nfs/dbraw/zinc/62/58/84/345625884.db2.gz XFBWOKUIKLDXNF-OKZBNKHCSA-N 1 0 289.419 3.144 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CC2(CO)CC2)o1 ZINC000080247135 345670212 /nfs/dbraw/zinc/67/02/12/345670212.db2.gz HVWWIKFRIMHLKN-UHFFFAOYSA-N 1 0 289.350 3.256 50 0 CGAARO COC1(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)CCOCC1 ZINC000091401450 345812704 /nfs/dbraw/zinc/81/27/04/345812704.db2.gz BKFXYSMNYJSWEZ-ZDUSSCGKSA-N 1 0 297.826 3.056 50 0 CGAARO CCOc1ccccc1C1CC[NH+](CCCCO)CC1 ZINC000096026597 345901825 /nfs/dbraw/zinc/90/18/25/345901825.db2.gz OWDGXYJNAIHLPX-UHFFFAOYSA-N 1 0 277.408 3.037 50 0 CGAARO CCOC(=O)NCCCCC[NH2+]C(CC)(CC)CC ZINC000096027347 345902076 /nfs/dbraw/zinc/90/20/76/345902076.db2.gz PUSUSMBLINEIQL-UHFFFAOYSA-N 1 0 272.433 3.461 50 0 CGAARO CCn1nccc1C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000097232847 345907646 /nfs/dbraw/zinc/90/76/46/345907646.db2.gz SYNLOLVJHVLTEY-OAHLLOKOSA-N 1 0 289.354 3.046 50 0 CGAARO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000128830530 346043918 /nfs/dbraw/zinc/04/39/18/346043918.db2.gz FYNHBSKZOWNLLR-CYBMUJFWSA-N 1 0 265.740 3.065 50 0 CGAARO Cc1cc(N[C@H]2CC[C@H](C)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608787 346194683 /nfs/dbraw/zinc/19/46/83/346194683.db2.gz QWLSSTXXUSLTKE-HOCLYGCPSA-N 1 0 287.451 3.347 50 0 CGAARO CSCC[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000170670400 346197081 /nfs/dbraw/zinc/19/70/81/346197081.db2.gz DBLRTEXPIYSJDJ-IUUKEHGRSA-N 1 0 285.478 3.216 50 0 CGAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000195575811 346274664 /nfs/dbraw/zinc/27/46/64/346274664.db2.gz DNNCXPVYZFDTGG-NVXWUHKLSA-N 1 0 292.467 3.215 50 0 CGAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+][C@@H](C)C(C)(C)O ZINC000584901611 346723965 /nfs/dbraw/zinc/72/39/65/346723965.db2.gz HNGFRONWMXYBOB-NSHDSACASA-N 1 0 294.826 3.421 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000089544542 179815132 /nfs/dbraw/zinc/81/51/32/179815132.db2.gz XAYIZGGHRPQJND-SECBINFHSA-N 1 0 297.324 3.419 50 0 CGAARO COC[C@H]([NH2+][C@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717003 180030051 /nfs/dbraw/zinc/03/00/51/180030051.db2.gz ZDZSMFLFMAWAPC-YGRLFVJLSA-N 1 0 276.405 3.372 50 0 CGAARO C1=C[C@@H]2[C@@H](C[C@@H]2[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000107082908 186160106 /nfs/dbraw/zinc/16/01/06/186160106.db2.gz OZCZQLILAHNLPT-QRQLOZEOSA-N 1 0 282.431 3.205 50 0 CGAARO C[C@@H](c1ccc2ccccc2c1)N(C(=O)CC[NH3+])C1CC1 ZINC000155457482 188207507 /nfs/dbraw/zinc/20/75/07/188207507.db2.gz GVQUBMWDMWJRTC-ZDUSSCGKSA-N 1 0 282.387 3.241 50 0 CGAARO C[N@H+](Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1O ZINC000157301249 188308821 /nfs/dbraw/zinc/30/88/21/188308821.db2.gz ZEKXAVXBJRAYEW-OLZOCXBDSA-N 1 0 285.334 3.023 50 0 CGAARO CC[C@H](C[NH2+][C@H]1CCn2ccnc21)Oc1ccccc1C ZINC000296861996 200018174 /nfs/dbraw/zinc/01/81/74/200018174.db2.gz NOZRXFJMBHMYML-CABCVRRESA-N 1 0 285.391 3.084 50 0 CGAARO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cncc(F)c1 ZINC000182274700 189318699 /nfs/dbraw/zinc/31/86/99/189318699.db2.gz RVTFCMLUKLAGJP-NSHDSACASA-N 1 0 256.324 3.039 50 0 CGAARO Cc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000000236896 368321288 /nfs/dbraw/zinc/32/12/88/368321288.db2.gz LPCTYLHXDIRCKN-UHFFFAOYSA-N 1 0 284.378 3.456 50 0 CGAARO Cc1ccccc1C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000049581 368277055 /nfs/dbraw/zinc/27/70/55/368277055.db2.gz BKGMTYVUVOSNDX-RDJZCZTQSA-N 1 0 287.403 3.416 50 0 biogenic,in-vitro CGAARO CN1CCC([N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000000241257 368323360 /nfs/dbraw/zinc/32/33/60/368323360.db2.gz RBKXSQDIZQPLCD-UHFFFAOYSA-N 1 0 286.341 3.231 50 0 CGAARO CC[NH+](CC)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000134429 368298139 /nfs/dbraw/zinc/29/81/39/368298139.db2.gz QBEGUTHCSOWVOB-HNNXBMFYSA-N 1 0 296.414 3.497 50 0 CGAARO CC[C@]1(C)C[C@](CC[NH3+])(c2ccc(F)cc2)CCO1 ZINC000000183699 368310747 /nfs/dbraw/zinc/31/07/47/368310747.db2.gz WSQUNCWRXSQNNW-HZPDHXFCSA-N 1 0 265.372 3.391 50 0 CGAARO C[C@@H](Cc1ccccc1[S@](=O)c1ccccc1)[NH+](C)C ZINC000000347808 368345857 /nfs/dbraw/zinc/34/58/57/368345857.db2.gz FIQXYWPZJOQLQV-XOBRGWDASA-N 1 0 287.428 3.346 50 0 CGAARO CC[NH+](CC)CC(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000000492570 368378905 /nfs/dbraw/zinc/37/89/05/368378905.db2.gz PJADARZAWGEJIU-UHFFFAOYSA-N 1 0 288.391 3.020 50 0 CGAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1c[nH]c2ccccc21 ZINC000000491353 368378922 /nfs/dbraw/zinc/37/89/22/368378922.db2.gz FWTCRBBVXRGZOA-LJQANCHMSA-N 1 0 292.382 3.260 50 0 biogenic CGAARO C[NH+]1CCC(NCc2ccc(Cl)cc2Cl)CC1 ZINC000000757004 368393767 /nfs/dbraw/zinc/39/37/67/368393767.db2.gz JPSXXXILQMECER-UHFFFAOYSA-N 1 0 273.207 3.177 50 0 CGAARO c1ccc(-c2nn[n+](-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001603340 368423339 /nfs/dbraw/zinc/42/33/39/368423339.db2.gz GDLNKECVZZJSBY-UHFFFAOYSA-N 1 0 299.357 3.211 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCCOC(=O)c1ccccc1 ZINC000002034888 368444292 /nfs/dbraw/zinc/44/42/92/368444292.db2.gz YQKAVWCGQQXBGW-CQSZACIVSA-N 1 0 261.365 3.108 50 0 in-man CGAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000002686915 368473020 /nfs/dbraw/zinc/47/30/20/368473020.db2.gz CUDWOFARGHVODJ-AEFFLSMTSA-N 1 0 299.414 3.394 50 0 CGAARO COc1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002885619 368483992 /nfs/dbraw/zinc/48/39/92/368483992.db2.gz YKRXFKFSDWGILY-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002891060 368484458 /nfs/dbraw/zinc/48/44/58/368484458.db2.gz ANBQJDVPEPJVHO-UHFFFAOYSA-N 1 0 289.423 3.426 50 0 CGAARO CC1CC[NH+](CCOCCOc2cccc(Cl)c2)CC1 ZINC000002956788 368485744 /nfs/dbraw/zinc/48/57/44/368485744.db2.gz GOWLHRNPGXRIJS-UHFFFAOYSA-N 1 0 297.826 3.467 50 0 CGAARO Cc1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000002955121 368485797 /nfs/dbraw/zinc/48/57/97/368485797.db2.gz RLZVQYOSYIMHHF-UHFFFAOYSA-N 1 0 277.408 3.122 50 0 CGAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1OC(=O)c1ccccc1Cl ZINC000003901931 368523156 /nfs/dbraw/zinc/52/31/56/368523156.db2.gz LGWYXROPIZJPDW-JTNHKYCSSA-N 1 0 281.783 3.226 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000004173885 368534738 /nfs/dbraw/zinc/53/47/38/368534738.db2.gz UBWDAHBWWAEZLS-FUHWJXTLSA-N 1 0 299.414 3.394 50 0 CGAARO C[C@@H]([NH2+]CC[C@@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000004045989 368528737 /nfs/dbraw/zinc/52/87/37/368528737.db2.gz MZPCNGTVMWCXKX-IUODEOHRSA-N 1 0 283.437 3.109 50 0 biogenic CGAARO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000003564506 368514369 /nfs/dbraw/zinc/51/43/69/368514369.db2.gz NQNMEGLUBVMVQW-NSHDSACASA-N 1 0 280.799 3.319 50 0 CGAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)CC ZINC000004264052 368540059 /nfs/dbraw/zinc/54/00/59/368540059.db2.gz LNMPSDGTOGKSRR-QLFBSQMISA-N 1 0 279.424 3.328 50 0 CGAARO Cc1ccc(N2C(=O)[C@H](C[NH+](C)C)[C@H]2c2ccccc2)cc1 ZINC000005541433 368563152 /nfs/dbraw/zinc/56/31/52/368563152.db2.gz OELCSXWFUBZJLT-QZTJIDSGSA-N 1 0 294.398 3.261 50 0 CGAARO COc1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1 ZINC000004487202 368547318 /nfs/dbraw/zinc/54/73/18/368547318.db2.gz RVFOMEIAVWFFPM-UHFFFAOYSA-N 1 0 287.363 3.168 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000004487198 368547584 /nfs/dbraw/zinc/54/75/84/368547584.db2.gz JYVRTPJCFCWSIG-SECBINFHSA-N 1 0 265.744 3.278 50 0 CGAARO CCOCCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000004537819 368549902 /nfs/dbraw/zinc/54/99/02/368549902.db2.gz NHRQXELOVFXXSD-QGZVFWFLSA-N 1 0 270.376 3.187 50 0 CGAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccccc1 ZINC000010311114 368579219 /nfs/dbraw/zinc/57/92/19/368579219.db2.gz ODRQMJPBUSLTGS-GOSISDBHSA-N 1 0 294.398 3.140 50 0 CGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000010340737 368579702 /nfs/dbraw/zinc/57/97/02/368579702.db2.gz UEDYDXJGEXYKCY-QGZVFWFLSA-N 1 0 280.371 3.123 50 0 CGAARO CC(C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000011035742 368588865 /nfs/dbraw/zinc/58/88/65/368588865.db2.gz UJCGLBWRRKGZFR-UHFFFAOYSA-N 1 0 282.387 3.196 50 0 CGAARO O=C(C[C@H]1C=CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013012733 368640673 /nfs/dbraw/zinc/64/06/73/368640673.db2.gz AKFCOPBALIKPEG-INIZCTEOSA-N 1 0 298.430 3.124 50 0 CGAARO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013145648 368644792 /nfs/dbraw/zinc/64/47/92/368644792.db2.gz OVSBFFSOQWDSFO-ZNMIVQPWSA-N 1 0 274.408 3.300 50 0 CGAARO COC(=O)CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000015423824 368695426 /nfs/dbraw/zinc/69/54/26/368695426.db2.gz MTIDPPCFDAZMES-UHFFFAOYSA-N 1 0 281.783 3.115 50 0 CGAARO O[C@@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000015962082 368706202 /nfs/dbraw/zinc/70/62/02/368706202.db2.gz RSUCCTSHSZOQQS-QGZVFWFLSA-N 1 0 299.419 3.008 50 0 CGAARO O[C@@H]1c2ccccc2O[C@]2([NH+]3CCCC3)CCCC[C@H]12 ZINC000017125960 368727567 /nfs/dbraw/zinc/72/75/67/368727567.db2.gz JLHMLQKTHCZJSS-DJIMGWMZSA-N 1 0 273.376 3.095 50 0 CGAARO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000014631157 368683178 /nfs/dbraw/zinc/68/31/78/368683178.db2.gz OXGJEGNYRZRFLL-LLVKDONJSA-N 1 0 284.197 3.136 50 0 CGAARO Brc1ccc2cc(O[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000014632267 368683777 /nfs/dbraw/zinc/68/37/77/368683777.db2.gz DCRVYRPEDHMFKP-CQSZACIVSA-N 1 0 292.176 3.343 50 0 CGAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000014903398 368687494 /nfs/dbraw/zinc/68/74/94/368687494.db2.gz SWEWYNSLRDAUBX-UHFFFAOYSA-N 1 0 288.435 3.379 50 0 CGAARO CCN(CC[NH+](C)C)Cc1cccc(Cl)c1Cl ZINC000019632716 368758920 /nfs/dbraw/zinc/75/89/20/368758920.db2.gz SLAFWKSYSITCAU-UHFFFAOYSA-N 1 0 275.223 3.377 50 0 CGAARO COc1ccc(OC)c(C[NH2+]CCc2cccc(F)c2)c1 ZINC000019720487 368760098 /nfs/dbraw/zinc/76/00/98/368760098.db2.gz LZGBJGQXHAFUSA-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COc1ccccc1CC[NH2+]Cc1c(F)cccc1F ZINC000019720561 368760242 /nfs/dbraw/zinc/76/02/42/368760242.db2.gz NUKKWKBMQIIKCE-UHFFFAOYSA-N 1 0 277.314 3.306 50 0 CGAARO COc1ccc(CC[NH2+]Cc2cccc(F)c2)cc1OC ZINC000019720936 368761566 /nfs/dbraw/zinc/76/15/66/368761566.db2.gz UHTURDCFJINENS-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO COc1cccc(CC[NH2+]Cc2ccccc2F)c1 ZINC000019720999 368761698 /nfs/dbraw/zinc/76/16/98/368761698.db2.gz WKOKOJXSAOMUPO-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CCCCOc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000019737899 368763298 /nfs/dbraw/zinc/76/32/98/368763298.db2.gz BYRLNKSVOHOAFW-HNNXBMFYSA-N 1 0 263.381 3.134 50 0 CGAARO Clc1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000019787242 368765446 /nfs/dbraw/zinc/76/54/46/368765446.db2.gz YBEPLWASFIFMCV-UHFFFAOYSA-N 1 0 289.762 3.401 50 0 CGAARO C[C@@H]([NH3+])c1ccc(-n2cnc3ccccc32)c(F)c1 ZINC000019872921 368773596 /nfs/dbraw/zinc/77/35/96/368773596.db2.gz LJEUPXPVFYQMCI-SNVBAGLBSA-N 1 0 255.296 3.184 50 0 CGAARO Clc1cccc(Cl)c1C[NH2+][C@H]1CN2CCC1CC2 ZINC000019874069 368774043 /nfs/dbraw/zinc/77/40/43/368774043.db2.gz QXFSDXFCHFKKGK-AWEZNQCLSA-N 1 0 285.218 3.177 50 0 CGAARO COc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1OC ZINC000019421376 368751399 /nfs/dbraw/zinc/75/13/99/368751399.db2.gz PPSNIQNKMHWIIM-HNNXBMFYSA-N 1 0 277.751 3.405 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019536674 368756989 /nfs/dbraw/zinc/75/69/89/368756989.db2.gz QJCULMQBRNIZNR-UHFFFAOYSA-N 1 0 280.415 3.313 50 0 CGAARO CC(C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027664376 368874663 /nfs/dbraw/zinc/87/46/63/368874663.db2.gz GGBOZXLLJUEOKQ-CQSZACIVSA-N 1 0 294.464 3.437 50 0 CGAARO Clc1ccccc1COCC[C@H]1CCCC[NH2+]1 ZINC000028522172 368886727 /nfs/dbraw/zinc/88/67/27/368886727.db2.gz JOFKBFIQSRGYMJ-CYBMUJFWSA-N 1 0 253.773 3.389 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000029482910 368897375 /nfs/dbraw/zinc/89/73/75/368897375.db2.gz MMFHFSQZCJFSOC-QGZVFWFLSA-N 1 0 298.361 3.384 50 0 CGAARO Fc1cccc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000033784404 368967809 /nfs/dbraw/zinc/96/78/09/368967809.db2.gz DDLXYRFKKOJSGQ-UHFFFAOYSA-N 1 0 285.366 3.297 50 0 CGAARO CCc1ccc([C@H](O)C[NH2+]Cc2ccccc2)cc1 ZINC000032108700 368925294 /nfs/dbraw/zinc/92/52/94/368925294.db2.gz LQSOEPAYZCMLMT-QGZVFWFLSA-N 1 0 255.361 3.072 50 0 CGAARO C[NH+](C)CCCNC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033417217 368963402 /nfs/dbraw/zinc/96/34/02/368963402.db2.gz GIUAEVKRLUBRSQ-XFXZXTDPSA-N 1 0 288.435 3.065 50 0 CGAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CCCCC1 ZINC000035132875 369001039 /nfs/dbraw/zinc/00/10/39/369001039.db2.gz NXLDDMTXCQKZDI-RYUDHWBXSA-N 1 0 280.437 3.236 50 0 CGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000036079622 369006815 /nfs/dbraw/zinc/00/68/15/369006815.db2.gz LINJRQQOAPEZPI-SFHVURJKSA-N 1 0 294.398 3.254 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000037128150 369065588 /nfs/dbraw/zinc/06/55/88/369065588.db2.gz QXXFYBFRLNZGIQ-CYBMUJFWSA-N 1 0 259.378 3.045 50 0 CGAARO Cc1nnsc1CN(C)Cc1cccc2ncccc12 ZINC000219138030 376194720 /nfs/dbraw/zinc/19/47/20/376194720.db2.gz XLOBETBOHFEONC-UHFFFAOYSA-N 1 0 284.388 3.027 50 0 CGAARO C[C@H](CNc1ncnc2ccsc21)C[NH+]1CCCCC1 ZINC000037999297 369137552 /nfs/dbraw/zinc/13/75/52/369137552.db2.gz YVGVYDLGCVNYSC-GFCCVEGCSA-N 1 0 290.436 3.225 50 0 CGAARO C[C@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCC1 ZINC000042505142 369222956 /nfs/dbraw/zinc/22/29/56/369222956.db2.gz VHAPNGQSMAMWEF-GFCCVEGCSA-N 1 0 288.416 3.115 50 0 CGAARO Clc1cccc(COCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042771907 369230654 /nfs/dbraw/zinc/23/06/54/369230654.db2.gz SMKSVMKPVQNJTA-LBPRGKRZSA-N 1 0 253.773 3.246 50 0 CGAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000042772937 369231213 /nfs/dbraw/zinc/23/12/13/369231213.db2.gz ITZODCBDAJZAFF-LBPRGKRZSA-N 1 0 253.773 3.417 50 0 CGAARO Brc1cccc(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000042773867 369231947 /nfs/dbraw/zinc/23/19/47/369231947.db2.gz YJRCONIZLTWSTK-GFCCVEGCSA-N 1 0 298.224 3.355 50 0 CGAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(C)c1C ZINC000043136461 369241604 /nfs/dbraw/zinc/24/16/04/369241604.db2.gz CDYYRUCPPKTWMS-CYBMUJFWSA-N 1 0 277.412 3.155 50 0 CGAARO C[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000049595611 369411906 /nfs/dbraw/zinc/41/19/06/369411906.db2.gz CXTYTAAAWKRHNR-LLVKDONJSA-N 1 0 284.197 3.170 50 0 CGAARO [NH3+][C@@H](Cc1cccc(Br)c1)CC1CC1 ZINC000050041262 369426300 /nfs/dbraw/zinc/42/63/00/369426300.db2.gz ARXAFTBAJXGJLP-GFCCVEGCSA-N 1 0 254.171 3.119 50 0 CGAARO c1ccc(CC2(Cc3ccccc3)CC[NH2+]C2)cc1 ZINC000051955352 369459674 /nfs/dbraw/zinc/45/96/74/369459674.db2.gz DZONCPIECLNUPR-UHFFFAOYSA-N 1 0 251.373 3.452 50 0 CGAARO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057350661 369534815 /nfs/dbraw/zinc/53/48/15/369534815.db2.gz BYAQQUZMBMUYPE-CQSZACIVSA-N 1 0 268.360 3.284 50 0 CGAARO CCC[C@H](C)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055270676 369513132 /nfs/dbraw/zinc/51/31/32/369513132.db2.gz DCRBMROQQGYRML-ZDUSSCGKSA-N 1 0 276.428 3.229 50 0 CGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccc1)NC1CCCC1 ZINC000058141942 369555718 /nfs/dbraw/zinc/55/57/18/369555718.db2.gz OWIUDSIOGURADR-QGZVFWFLSA-N 1 0 286.419 3.272 50 0 CGAARO Cc1cc(C)nc(NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000065387614 369671526 /nfs/dbraw/zinc/67/15/26/369671526.db2.gz LPEPRSRZNLHCJL-UHFFFAOYSA-N 1 0 296.418 3.301 50 0 CGAARO Cc1cc(-n2nc(C(C)C)nc2CCc2ccco2)cc[nH+]1 ZINC000065398399 369672220 /nfs/dbraw/zinc/67/22/20/369672220.db2.gz GUVDUKSVTMZOJJ-UHFFFAOYSA-N 1 0 296.374 3.472 50 0 CGAARO Cc1ccc(-c2ccccc2[C@@H]2[NH2+]CCc3nc[nH]c32)o1 ZINC000065394579 369672914 /nfs/dbraw/zinc/67/29/14/369672914.db2.gz ASMLWNDTOOWDGL-INIZCTEOSA-N 1 0 279.343 3.213 50 0 CGAARO CCOc1ccccc1-c1ccc(C[NH+](C)C)cn1 ZINC000065408704 369673695 /nfs/dbraw/zinc/67/36/95/369673695.db2.gz JYRMCBMRHMNXEP-UHFFFAOYSA-N 1 0 256.349 3.209 50 0 CGAARO COc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)ccc1F ZINC000065420355 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ZINC000069616207 369764573 /nfs/dbraw/zinc/76/45/73/369764573.db2.gz POEPROUTEOXNGF-CHWSQXEVSA-N 1 0 291.370 3.079 50 0 CGAARO c1ccc(NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000069775133 369770694 /nfs/dbraw/zinc/77/06/94/369770694.db2.gz FWKVBNRAWIQCHC-UHFFFAOYSA-N 1 0 281.403 3.201 50 0 CGAARO c1ccc(-c2noc3c2C[N@H+](CC2CC2)CC3)cc1 ZINC000067675213 369724289 /nfs/dbraw/zinc/72/42/89/369724289.db2.gz NNVFLYVOVIWKNG-UHFFFAOYSA-N 1 0 254.333 3.110 50 0 CGAARO CSC(C)(C)C[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000067755121 369727325 /nfs/dbraw/zinc/72/73/25/369727325.db2.gz WTBQCXVKFJCMAQ-CYBMUJFWSA-N 1 0 294.464 3.443 50 0 CGAARO Cc1ccsc1-c1nccn1CC[C@H]1CCC[N@H+]1C ZINC000067821909 369731706 /nfs/dbraw/zinc/73/17/06/369731706.db2.gz DSMIORDTATZMKO-CYBMUJFWSA-N 1 0 275.421 3.404 50 0 CGAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1C1CCCCC1 ZINC000067954939 369736695 /nfs/dbraw/zinc/73/66/95/369736695.db2.gz XSWCFUAPNRYTKN-OAHLLOKOSA-N 1 0 261.413 3.415 50 0 CGAARO CCC(=O)O[C@H](c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 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CC[N@@H+]1CCCN(c2nc3ccccc3cc2C)CC1 ZINC000079058061 369961299 /nfs/dbraw/zinc/96/12/99/369961299.db2.gz NQHMEIJFPFYMBI-UHFFFAOYSA-N 1 0 269.392 3.075 50 0 CGAARO Cn1ccnc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000082134300 369999408 /nfs/dbraw/zinc/99/94/08/369999408.db2.gz XXKFVSLAQMJUQF-HNNXBMFYSA-N 1 0 261.413 3.180 50 0 CGAARO COc1ccccc1CN(CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000083877897 370009407 /nfs/dbraw/zinc/00/94/07/370009407.db2.gz ABDCZYLRRPPCCH-MRXNPFEDSA-N 1 0 288.435 3.144 50 0 CGAARO c1ccc(C[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)nc1 ZINC000088744985 370036842 /nfs/dbraw/zinc/03/68/42/370036842.db2.gz CQQYCQBRLCUAIR-YJBOKZPZSA-N 1 0 264.372 3.075 50 0 CGAARO C[C@H]1C[C@@H]([NH2+]Cc2cccn2C)CCN1Cc1ccccc1 ZINC000080339220 369986635 /nfs/dbraw/zinc/98/66/35/369986635.db2.gz FVYCCYLPBRUZCN-WMZOPIPTSA-N 1 0 297.446 3.168 50 0 CGAARO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000089983675 370053618 /nfs/dbraw/zinc/05/36/18/370053618.db2.gz BEAFAQZTAQIZAD-CYBMUJFWSA-N 1 0 265.353 3.150 50 0 CGAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000095381045 370181248 /nfs/dbraw/zinc/18/12/48/370181248.db2.gz HKPIHTCIJXYIDZ-INIZCTEOSA-N 1 0 298.434 3.458 50 0 CGAARO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093809428 370159711 /nfs/dbraw/zinc/15/97/11/370159711.db2.gz KQSOBBZOAJREFZ-HNNXBMFYSA-N 1 0 291.439 3.117 50 0 CGAARO CC[C@@H]1CCC[C@H](C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC000097108493 370226165 /nfs/dbraw/zinc/22/61/65/370226165.db2.gz QNCYXFPQXKCOQV-IKGGRYGDSA-N 1 0 280.456 3.003 50 0 CGAARO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111188 370227425 /nfs/dbraw/zinc/22/74/25/370227425.db2.gz UXFBXLZJJWHSFP-HUUCEWRRSA-N 1 0 292.354 3.205 50 0 CGAARO CC(=O)Nc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000097113642 370227910 /nfs/dbraw/zinc/22/79/10/370227910.db2.gz FQLVYIMZRCJQDH-CYBMUJFWSA-N 1 0 283.375 3.233 50 0 CGAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203551 370233190 /nfs/dbraw/zinc/23/31/90/370233190.db2.gz 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/nfs/dbraw/zinc/16/66/94/372166694.db2.gz PCUILHFJVOZYFK-ZDUSSCGKSA-N 1 0 297.402 3.447 50 0 CGAARO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2)n1C ZINC000162327587 372387791 /nfs/dbraw/zinc/38/77/91/372387791.db2.gz WMHWICNFRGYRJE-ZFWWWQNUSA-N 1 0 284.407 3.150 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000170591540 372639585 /nfs/dbraw/zinc/63/95/85/372639585.db2.gz UBOHZYTYTUDPCK-OAHLLOKOSA-N 1 0 271.364 3.030 50 0 CGAARO C/C=C/c1cnc(-c2cccnc2)nc1C1CC[NH2+]CC1 ZINC000299767660 373609393 /nfs/dbraw/zinc/60/93/93/373609393.db2.gz MSJJWWVSENRVTA-DUXPYHPUSA-N 1 0 280.375 3.039 50 0 CGAARO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CC ZINC000077241999 541912810 /nfs/dbraw/zinc/91/28/10/541912810.db2.gz LHOQLOWXNBSNFH-UHFFFAOYSA-N 1 0 261.321 3.061 50 0 CGAARO c1csc(CCCC[NH2+]Cc2cccc3c[nH]nc32)n1 ZINC000084024678 541931162 /nfs/dbraw/zinc/93/11/62/541931162.db2.gz NSRKMGFTVURQDH-UHFFFAOYSA-N 1 0 286.404 3.132 50 0 CGAARO CC[C@H](C[NH2+]C1CCOCC1)Oc1ccccc1Cl ZINC000084733737 541935519 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ZINC000215301182 376146322 /nfs/dbraw/zinc/14/63/22/376146322.db2.gz HTMLUHJRKVBCPH-ZDUSSCGKSA-N 1 0 282.815 3.383 50 0 CGAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H](CO)C2)o1 ZINC000215294138 376147406 /nfs/dbraw/zinc/14/74/06/376147406.db2.gz ADNAYSWVHBTRHE-HNNXBMFYSA-N 1 0 285.387 3.459 50 0 CGAARO COCCOC1CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000215445773 376148313 /nfs/dbraw/zinc/14/83/13/376148313.db2.gz VVHRBJPQDOUDNG-CQSZACIVSA-N 1 0 295.423 3.209 50 0 CGAARO COC[C@H]1CC[N@H+](Cc2ccc3cc(OC)ccc3c2)C1 ZINC000216377388 376163437 /nfs/dbraw/zinc/16/34/37/376163437.db2.gz LGHBLXWPTNOUDK-HNNXBMFYSA-N 1 0 285.387 3.317 50 0 CGAARO CSc1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1 ZINC000225471480 376312593 /nfs/dbraw/zinc/31/25/93/376312593.db2.gz JHMSKIXAPINCRR-CYBMUJFWSA-N 1 0 279.449 3.391 50 0 CGAARO Cc1noc(C)c1CN(C)CCO[C@@H]1CCCC[C@H]1C ZINC000230099092 376483802 /nfs/dbraw/zinc/48/38/02/376483802.db2.gz RXXCEAKASZUKHV-MLGOLLRUSA-N 1 0 280.412 3.319 50 0 CGAARO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237489154 376746022 /nfs/dbraw/zinc/74/60/22/376746022.db2.gz NEHZMYDDRWUEHV-DOMZBBRYSA-N 1 0 290.382 3.007 50 0 CGAARO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1)c1cccc(O)c1 ZINC000241465951 376778729 /nfs/dbraw/zinc/77/87/29/376778729.db2.gz NTGYHBLAZIARSF-ZBEGNZNMSA-N 1 0 291.778 3.430 50 0 CGAARO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nccn1C(F)F ZINC000247466033 377206557 /nfs/dbraw/zinc/20/65/57/377206557.db2.gz IVMMLTNKQXFDHG-IJLUTSLNSA-N 1 0 269.339 3.431 50 0 CGAARO C[C@@H](CN(C)Cc1ccc2ncccc2c1)[NH+]1CCCC1 ZINC000252480454 377626220 /nfs/dbraw/zinc/62/62/20/377626220.db2.gz CANQOOTVSZBZHS-HNNXBMFYSA-N 1 0 283.419 3.151 50 0 CGAARO CCS[C@@H]1CC[C@H]([NH2+][C@H](C)c2nccnc2C)C1 ZINC000252490105 377630351 /nfs/dbraw/zinc/63/03/51/377630351.db2.gz KJEWUVXLQZGSCP-FRRDWIJNSA-N 1 0 265.426 3.110 50 0 CGAARO C[N@H+](CCCc1ccco1)C[C@@H]1Cc2ccccc2O1 ZINC000252490393 377631161 /nfs/dbraw/zinc/63/11/61/377631161.db2.gz KSMZOHDSPOESLZ-INIZCTEOSA-N 1 0 271.360 3.148 50 0 CGAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc2ccccc2o1 ZINC000252511839 377635035 /nfs/dbraw/zinc/63/50/35/377635035.db2.gz LCRFMPKPQCFJDC-HOTGVXAUSA-N 1 0 284.403 3.491 50 0 CGAARO CCC[N@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCCO1 ZINC000253417418 377690700 /nfs/dbraw/zinc/69/07/00/377690700.db2.gz DRMWGAOOSWSWHZ-ZWKOTPCHSA-N 1 0 291.435 3.391 50 0 CGAARO CCS[C@@H]1CCC[C@H]1[NH2+]CCc1csc(C)n1 ZINC000348479507 378964785 /nfs/dbraw/zinc/96/47/85/378964785.db2.gz OUYAVRMXXGILGK-CHWSQXEVSA-N 1 0 270.467 3.258 50 0 CGAARO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc3c[nH]nc3c2)c1 ZINC000282883018 380007259 /nfs/dbraw/zinc/00/72/59/380007259.db2.gz CXHPBEYOYSQZRN-SFHVURJKSA-N 1 0 295.386 3.003 50 0 CGAARO CCN(CC)[PH+](c1ccccc1)N(CC)CC ZINC000000404189 169631936 /nfs/dbraw/zinc/63/19/36/169631936.db2.gz HTIVDCMRYKVNJC-UHFFFAOYSA-N 1 0 252.342 3.307 50 0 CGAARO [NH3+]C1(C(=O)Nc2nc3c(s2)CCCCCC3)CCCC1 ZINC000237974509 542318474 /nfs/dbraw/zinc/31/84/74/542318474.db2.gz HIXDJHYLMPYIEK-UHFFFAOYSA-N 1 0 293.436 3.012 50 0 CGAARO CS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300412219 542412220 /nfs/dbraw/zinc/41/22/20/542412220.db2.gz SAPJVVHQMZAWJD-ODXJTPSBSA-N 1 0 269.454 3.064 50 0 CGAARO OC1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000019918596 285244786 /nfs/dbraw/zinc/24/47/86/285244786.db2.gz ACNRPLXHTKHQNW-DQPZFDDXSA-N 1 0 259.393 3.347 50 0 CGAARO C[C@@H](C(=O)N1CCCCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000130110285 533198293 /nfs/dbraw/zinc/19/82/93/533198293.db2.gz MWUHAGJCIKJPKH-GDBMZVCRSA-N 1 0 274.408 3.115 50 0 CGAARO Cc1cc(C)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(C)c1 ZINC000095457761 184992640 /nfs/dbraw/zinc/99/26/40/184992640.db2.gz UCAHIJDFWKZRNG-AEFFLSMTSA-N 1 0 289.419 3.040 50 0 CGAARO O[C@H]1CC[C@H](Nc2c3c([nH+]c4ccccc42)CCC3)CC1 ZINC000238900780 285367505 /nfs/dbraw/zinc/36/75/05/285367505.db2.gz JXQGZPCZPZBOJP-JOCQHMNTSA-N 1 0 282.387 3.439 50 0 CGAARO COCC1(C[NH2+]Cc2cccc3cc[nH]c32)CCC1 ZINC000281906234 195429129 /nfs/dbraw/zinc/42/91/29/195429129.db2.gz FWYFMUBMXHWCOS-UHFFFAOYSA-N 1 0 258.365 3.074 50 0 CGAARO CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc[n+](C)c3)[C@@H]1[C@@H]2C ZINC000000519512 391910621 /nfs/dbraw/zinc/91/06/21/391910621.db2.gz JHAJBRWIERGXKC-POMUYXAESA-N 1 0 258.385 3.047 50 0 biogenic CGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(C)(C)C ZINC000005969550 391925165 /nfs/dbraw/zinc/92/51/65/391925165.db2.gz GEXNGOWIYXVINF-GOEBONIOSA-N 1 0 286.419 3.175 50 0 CGAARO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000023281385 391946116 /nfs/dbraw/zinc/94/61/16/391946116.db2.gz CHMLYWDFDMYPAW-MRXNPFEDSA-N 1 0 281.403 3.007 50 0 CGAARO COc1ccc([C@H](O)C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000096297187 392246728 /nfs/dbraw/zinc/24/67/28/392246728.db2.gz SSTQDBQRTNUTNF-GNJLHFKMSA-N 1 0 283.371 3.032 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)s1 ZINC000096477831 392256276 /nfs/dbraw/zinc/25/62/76/392256276.db2.gz GVMNVSAEBYULPY-GTNSWQLSSA-N 1 0 273.467 3.254 50 0 CGAARO COCC1(C[NH2+]Cc2cccc3[nH]ccc32)CCC1 ZINC000282022619 392272321 /nfs/dbraw/zinc/27/23/21/392272321.db2.gz NOFLKHGTXPXYBG-UHFFFAOYSA-N 1 0 258.365 3.074 50 0 CGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000216332456 392989962 /nfs/dbraw/zinc/98/99/62/392989962.db2.gz NSFNKJKDMCIFLI-KBMXLJTQSA-N 1 0 252.446 3.131 50 0 CGAARO c1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000341090708 285530130 /nfs/dbraw/zinc/53/01/30/285530130.db2.gz BREYYAPQUIWGHN-INIZCTEOSA-N 1 0 281.403 3.299 50 0 CGAARO CCc1nccn1C[C@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670453118 543155856 /nfs/dbraw/zinc/15/58/56/543155856.db2.gz QKJBITIAFTWOTB-AWEZNQCLSA-N 1 0 261.413 3.100 50 0 CGAARO C[N@H+](CC[C@H]1CCOC1)Cc1ccc2ccccc2n1 ZINC000670467169 543156203 /nfs/dbraw/zinc/15/62/03/543156203.db2.gz CMDMCKLEUHYVHJ-AWEZNQCLSA-N 1 0 270.376 3.093 50 0 CGAARO Cc1cc(C)cc(N2CC[NH+](CC[C@@H]3CC3(F)F)CC2)c1 ZINC000670452491 543155190 /nfs/dbraw/zinc/15/51/90/543155190.db2.gz WDDPVHWSJKZBHT-OAHLLOKOSA-N 1 0 294.389 3.471 50 0 CGAARO CCc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)s1 ZINC000670462223 543156463 /nfs/dbraw/zinc/15/64/63/543156463.db2.gz FMVNKHWFIFAVBT-ITGUQSILSA-N 1 0 265.422 3.452 50 0 CGAARO CS[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C1 ZINC000108116109 397653084 /nfs/dbraw/zinc/65/30/84/397653084.db2.gz FFZBMJZKKZYUED-QLFBSQMISA-N 1 0 298.496 3.041 50 0 CGAARO Clc1ccc([C@H]2[NH2+]CCOc3ccccc32)cc1 ZINC000011802767 397604222 /nfs/dbraw/zinc/60/42/22/397604222.db2.gz ORAPMHJWOAITSR-OAHLLOKOSA-N 1 0 259.736 3.411 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](C(C)C)[NH2+]C(C)(C)C2 ZINC000005912691 286259351 /nfs/dbraw/zinc/25/93/51/286259351.db2.gz JJJVELHBFGBXKV-OAHLLOKOSA-N 1 0 263.381 3.325 50 0 CGAARO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000090773058 287104749 /nfs/dbraw/zinc/10/47/49/287104749.db2.gz ATXBVXQSSZUBIE-LLVKDONJSA-N 1 0 259.349 3.256 50 0 CGAARO Cc1cccc(Cl)c1NC(=O)C[C@@H](C)[NH+]1CCCC1 ZINC000002168152 169778921 /nfs/dbraw/zinc/77/89/21/169778921.db2.gz XBJKYRAEEGVECH-GFCCVEGCSA-N 1 0 280.799 3.461 50 0 CGAARO C[NH+](C)CCCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003237306 169870843 /nfs/dbraw/zinc/87/08/43/169870843.db2.gz JJOCTOOFUKJZEG-UHFFFAOYSA-N 1 0 298.386 3.160 50 0 CGAARO c1ccc(CCC[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000004108003 169932729 /nfs/dbraw/zinc/93/27/29/169932729.db2.gz CVAPBKKAWGUIRI-INIZCTEOSA-N 1 0 283.371 3.049 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000004195214 169942919 /nfs/dbraw/zinc/94/29/19/169942919.db2.gz RRXRGGDXVXFXRD-YESZJQIVSA-N 1 0 291.435 3.306 50 0 CGAARO C[C@@H](O)C[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000004833283 170025916 /nfs/dbraw/zinc/02/59/16/170025916.db2.gz WRVRNWVIDNWSFH-OAHLLOKOSA-N 1 0 285.387 3.093 50 0 CGAARO CC[NH+](CC)CCNc1ncnc2c3cc(C)ccc3[nH]c21 ZINC000004858076 170031570 /nfs/dbraw/zinc/03/15/70/170031570.db2.gz UHTKNWDRMHYNHS-UHFFFAOYSA-N 1 0 297.406 3.173 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccc(C)c2)c(OC)c1 ZINC000004891734 170037014 /nfs/dbraw/zinc/03/70/14/170037014.db2.gz IPLOEJLYCBUKLA-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 CGAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000005019237 170056614 /nfs/dbraw/zinc/05/66/14/170056614.db2.gz CWZSXCAERZQJMO-LBPRGKRZSA-N 1 0 299.798 3.016 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000005073869 170064274 /nfs/dbraw/zinc/06/42/74/170064274.db2.gz XDHQBIZRSSEWNK-YESZJQIVSA-N 1 0 291.435 3.306 50 0 CGAARO Cc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000005478082 170103090 /nfs/dbraw/zinc/10/30/90/170103090.db2.gz XQMUDLCVHAHUPM-LBPRGKRZSA-N 1 0 275.377 3.095 50 0 CGAARO CN(C(=O)c1ccc(F)cc1)C1=CCCC[C@H]1C[NH+](C)C ZINC000005524930 170108194 /nfs/dbraw/zinc/10/81/94/170108194.db2.gz GTSCONUCYVIZIX-AWEZNQCLSA-N 1 0 290.382 3.143 50 0 CGAARO COc1ccc(C(=O)CC[N@H+](C)Cc2ccccc2)cc1 ZINC000005659453 170124468 /nfs/dbraw/zinc/12/44/68/170124468.db2.gz ZBRBISUYXWTHAG-UHFFFAOYSA-N 1 0 283.371 3.400 50 0 CGAARO [NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)CCO2 ZINC000005773392 170139343 /nfs/dbraw/zinc/13/93/43/170139343.db2.gz UFMUSLYYKUVZEE-MRXNPFEDSA-N 1 0 253.345 3.254 50 0 CGAARO CCOCCC[NH2+]Cc1ccc(Br)s1 ZINC000006651050 170222440 /nfs/dbraw/zinc/22/24/40/170222440.db2.gz DAJXLECOFJHDSB-UHFFFAOYSA-N 1 0 278.215 3.027 50 0 CGAARO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3C)o2)cc1 ZINC000006662843 170223685 /nfs/dbraw/zinc/22/36/85/170223685.db2.gz ZYSRMAAUYLSEGT-ZDUSSCGKSA-N 1 0 271.364 3.419 50 0 CGAARO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(C)CC1 ZINC000008318337 170330769 /nfs/dbraw/zinc/33/07/69/170330769.db2.gz PQDIARDIJNKCPG-ZDUSSCGKSA-N 1 0 294.826 3.077 50 0 CGAARO Cc1ccccc1CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000008734515 170352074 /nfs/dbraw/zinc/35/20/74/170352074.db2.gz QXPYMHKWIBBHNZ-KBPBESRZSA-N 1 0 260.406 3.499 50 0 CGAARO CCCn1cc(C[C@@H](C)[NH3+])c2ccc(OCC)cc21 ZINC000009422572 170376430 /nfs/dbraw/zinc/37/64/30/170376430.db2.gz CNJDDGARLHOLJJ-GFCCVEGCSA-N 1 0 260.381 3.340 50 0 CGAARO Cc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+](C)C)cc1 ZINC000010017819 170395262 /nfs/dbraw/zinc/39/52/62/170395262.db2.gz XKWVEWGNKMHXEM-SFHVURJKSA-N 1 0 296.414 3.336 50 0 CGAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000014631164 170640239 /nfs/dbraw/zinc/64/02/39/170640239.db2.gz HVPULUXDBDKPDZ-SECBINFHSA-N 1 0 260.164 3.372 50 0 CGAARO [NH3+]CCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000015108707 170657636 /nfs/dbraw/zinc/65/76/36/170657636.db2.gz KPHPHGCQGADACA-UHFFFAOYSA-N 1 0 261.752 3.268 50 0 CGAARO CCC(CC)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019364198 170776698 /nfs/dbraw/zinc/77/66/98/170776698.db2.gz YYQAMGQKCPOVAE-UHFFFAOYSA-N 1 0 276.424 3.001 50 0 CGAARO Clc1cccc(CNCC[NH+]2CCCC2)c1Cl ZINC000020127007 171012372 /nfs/dbraw/zinc/01/23/72/171012372.db2.gz FEMFWFQJEGLGRJ-UHFFFAOYSA-N 1 0 273.207 3.179 50 0 CGAARO Fc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1F ZINC000020202119 171066455 /nfs/dbraw/zinc/06/64/55/171066455.db2.gz PRVZLYZUJBGKEZ-CYBMUJFWSA-N 1 0 275.298 3.058 50 0 CGAARO Cc1nc(C[NH2+]CCc2c[nH]c3ccccc23)cs1 ZINC000020253163 171105812 /nfs/dbraw/zinc/10/58/12/171105812.db2.gz MUCXIJWXVAEOCM-UHFFFAOYSA-N 1 0 271.389 3.265 50 0 CGAARO COC(C)(C)C[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000020524493 171237245 /nfs/dbraw/zinc/23/72/45/171237245.db2.gz PBHMIPYGRFHEKR-CQSZACIVSA-N 1 0 270.461 3.044 50 0 CGAARO CC[N@H+](CC[C@H](C)c1ccccc1)Cc1nccn1C ZINC000020785589 171272481 /nfs/dbraw/zinc/27/24/81/171272481.db2.gz BBTSLIJNHGGTST-HNNXBMFYSA-N 1 0 271.408 3.436 50 0 CGAARO CSC[C@H](C)[NH2+][C@H](C)COc1c(C)cccc1C ZINC000020869156 171277490 /nfs/dbraw/zinc/27/74/90/171277490.db2.gz SCBFLUCRSJJJBR-KGLIPLIRSA-N 1 0 267.438 3.412 50 0 CGAARO c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3cccnc31)CO2 ZINC000020999794 171284404 /nfs/dbraw/zinc/28/44/04/171284404.db2.gz WUHYUGLLOFJTJJ-KRWDZBQOSA-N 1 0 290.366 3.328 50 0 CGAARO O=C(c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021170653 171299052 /nfs/dbraw/zinc/29/90/52/171299052.db2.gz SYWUAQQOCOVUEM-KRWDZBQOSA-N 1 0 286.419 3.167 50 0 CGAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(Cl)c1 ZINC000022078178 171352504 /nfs/dbraw/zinc/35/25/04/171352504.db2.gz UIDOWRBIAMSYNI-SWLSCSKDSA-N 1 0 264.800 3.009 50 0 CGAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccncc1 ZINC000022628194 171395133 /nfs/dbraw/zinc/39/51/33/171395133.db2.gz ZVLMZODFDLCLLA-UHFFFAOYSA-N 1 0 265.360 3.204 50 0 CGAARO CCc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1 ZINC000035258854 172091311 /nfs/dbraw/zinc/09/13/11/172091311.db2.gz WGRLQSOSGFGPFD-OAHLLOKOSA-N 1 0 260.425 3.213 50 0 CGAARO COc1ccccc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000035287274 172105305 /nfs/dbraw/zinc/10/53/05/172105305.db2.gz CTAHMZNTPCBMFC-UHFFFAOYSA-N 1 0 295.386 3.294 50 0 CGAARO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[NH2+]C2 ZINC000037372852 173162912 /nfs/dbraw/zinc/16/29/12/173162912.db2.gz IEQYFRYZYRUCDV-UHFFFAOYSA-N 1 0 285.322 3.115 50 0 CGAARO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1Cl ZINC000038043583 174050496 /nfs/dbraw/zinc/05/04/96/174050496.db2.gz PNPBDHFNNWNTJN-NEPJUHHUSA-N 1 0 253.773 3.417 50 0 CGAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C)ccc1C ZINC000040094985 174190177 /nfs/dbraw/zinc/19/01/77/174190177.db2.gz OAQLDJMRADQHAO-AWEZNQCLSA-N 1 0 277.412 3.155 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(Cl)c1 ZINC000040145626 174195038 /nfs/dbraw/zinc/19/50/38/174195038.db2.gz XNRCLJYBYJIUID-GFCCVEGCSA-N 1 0 295.814 3.336 50 0 CGAARO C[C@H]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042909386 174909857 /nfs/dbraw/zinc/90/98/57/174909857.db2.gz WKPOSZGQMCFYAJ-QWHCGFSZSA-N 1 0 295.471 3.174 50 0 CGAARO CSc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000044938048 175281716 /nfs/dbraw/zinc/28/17/16/175281716.db2.gz VNCCFZBQKDOBGW-AWEZNQCLSA-N 1 0 277.433 3.409 50 0 CGAARO [NH3+]Cc1ccc(F)c(-c2cccc3cnccc32)c1 ZINC000061123360 175642726 /nfs/dbraw/zinc/64/27/26/175642726.db2.gz ZIVHVXVVVXLBSR-UHFFFAOYSA-N 1 0 252.292 3.500 50 0 CGAARO CC[NH+](CC)[C@H]1CCN(c2nccc(C3CCCC3)n2)C1 ZINC000071750482 176259393 /nfs/dbraw/zinc/25/93/93/176259393.db2.gz CRFCIENAKDPJSL-HNNXBMFYSA-N 1 0 288.439 3.055 50 0 CGAARO CCc1ccc(-c2nccn2C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000071748756 176259494 /nfs/dbraw/zinc/25/94/94/176259494.db2.gz XPDKCFWOSPUNBD-MRXNPFEDSA-N 1 0 283.419 3.454 50 0 CGAARO CC(C)c1nc2c(n1C)CC[N@H+](CCc1cccs1)C2 ZINC000071880217 176287616 /nfs/dbraw/zinc/28/76/16/176287616.db2.gz IHUPUTBINWJUSG-UHFFFAOYSA-N 1 0 289.448 3.206 50 0 CGAARO C[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000072116124 176318726 /nfs/dbraw/zinc/31/87/26/176318726.db2.gz SLQMXBYXWVRCGO-UHFFFAOYSA-N 1 0 295.814 3.193 50 0 CGAARO C[C@H](CC[N@@H+]1CCCn2cncc2C1)c1ccccc1 ZINC000072143774 176324307 /nfs/dbraw/zinc/32/43/07/176324307.db2.gz HNTCWAOUWAITFS-OAHLLOKOSA-N 1 0 269.392 3.283 50 0 CGAARO OCCCC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000072149905 176326516 /nfs/dbraw/zinc/32/65/16/176326516.db2.gz GVGLSFPCQQNOPI-KRWDZBQOSA-N 1 0 261.409 3.246 50 0 CGAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1 ZINC000048520195 416454559 /nfs/dbraw/zinc/45/45/59/416454559.db2.gz OHIPSRKJMWALDX-LBPRGKRZSA-N 1 0 272.348 3.479 50 0 CGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000685939664 544109949 /nfs/dbraw/zinc/10/99/49/544109949.db2.gz BASBTHJSDCVHTO-ZLKJLUDKSA-N 1 0 281.396 3.113 50 0 CGAARO CC(=O)Nc1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000657837260 419382158 /nfs/dbraw/zinc/38/21/58/419382158.db2.gz RTSQDJOFSMZNDZ-JTQLQIEISA-N 1 0 284.350 3.414 50 0 CGAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218914054 292648684 /nfs/dbraw/zinc/64/86/84/292648684.db2.gz FUWOUJXJVFLXGZ-INMHGKMJSA-N 1 0 286.419 3.176 50 0 CGAARO Brc1csc(C[NH2+]CCc2ccccn2)c1 ZINC000020306058 260118059 /nfs/dbraw/zinc/11/80/59/260118059.db2.gz HGJQTHNNYHYPSE-UHFFFAOYSA-N 1 0 297.221 3.238 50 0 CGAARO CC(C)=CCC[C@H](C)CC[N@@H+]1CCCN(C)CC1 ZINC000019608909 262123755 /nfs/dbraw/zinc/12/37/55/262123755.db2.gz LESNNWGBWAOWMK-INIZCTEOSA-N 1 0 252.446 3.397 50 0 CGAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069703411 274274415 /nfs/dbraw/zinc/27/44/15/274274415.db2.gz PHSYIYILYOJWGI-WBMJQRKESA-N 1 0 288.366 3.109 50 0 CGAARO CC[N@H+](C[C@@H](O)COc1ccc(C)cc1)C1CCCCC1 ZINC000007636291 276350976 /nfs/dbraw/zinc/35/09/76/276350976.db2.gz TXMDSWQUERYAMS-QGZVFWFLSA-N 1 0 291.435 3.389 50 0 CGAARO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCSCC2)CCO1 ZINC000336593498 277261977 /nfs/dbraw/zinc/26/19/77/277261977.db2.gz ZWEIHFQXCCNZTD-QWHCGFSZSA-N 1 0 257.443 3.065 50 0 CGAARO CC(C)CC(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000004744213 277342820 /nfs/dbraw/zinc/34/28/20/277342820.db2.gz SJZNQHWVOAISLA-HUUCEWRRSA-N 1 0 280.456 3.001 50 0 CGAARO CC[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)[C@@H]1CCCO1 ZINC000252495258 288069053 /nfs/dbraw/zinc/06/90/53/288069053.db2.gz OORMZNORCHDQOP-BBWFWOEESA-N 1 0 275.392 3.317 50 0 CGAARO Cc1c(-c2ccc(F)cc2)[n+](=O)c2c(n1O)CCCCC2 ZINC000103676622 280195382 /nfs/dbraw/zinc/19/53/82/280195382.db2.gz LMCWORWIDHIOAQ-UHFFFAOYSA-N 1 0 289.330 3.023 50 0 CGAARO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910197 289561195 /nfs/dbraw/zinc/56/11/95/289561195.db2.gz WJRSGSYBZSRAQR-QLFBSQMISA-N 1 0 287.407 3.190 50 0 CGAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576535 302148849 /nfs/dbraw/zinc/14/88/49/302148849.db2.gz FUWOUJXJVFLXGZ-VYDXJSESSA-N 1 0 286.419 3.176 50 0 CGAARO Cc1c[nH]c(C[NH2+][C@H](C)CCc2ccccc2)c(C)c1=O ZINC000534652975 328338212 /nfs/dbraw/zinc/33/82/12/328338212.db2.gz GWKROBLNCUJBHJ-CQSZACIVSA-N 1 0 284.403 3.103 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)s1 ZINC000096477835 329526773 /nfs/dbraw/zinc/52/67/73/329526773.db2.gz GVMNVSAEBYULPY-APPDUMDISA-N 1 0 273.467 3.254 50 0 CGAARO CCc1nn(C)cc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000426541184 330511558 /nfs/dbraw/zinc/51/15/58/330511558.db2.gz APKDAKTYEJWDAC-LBPRGKRZSA-N 1 0 257.381 3.272 50 0 CGAARO FC(F)(F)c1ccccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000096346570 333208205 /nfs/dbraw/zinc/20/82/05/333208205.db2.gz TYEKQELLIWXTDT-UHFFFAOYSA-N 1 0 297.280 3.222 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000195561032 336056191 /nfs/dbraw/zinc/05/61/91/336056191.db2.gz PSKGIZNSTKUMHS-BNOWGMLFSA-N 1 0 277.412 3.497 50 0 CGAARO C=C(c1ccc(Br)cc1)[n+]1ccccc1 ZINC000000337490 517319588 /nfs/dbraw/zinc/31/95/88/517319588.db2.gz PHUXALXTCOPVIW-UHFFFAOYSA-N 1 0 261.142 3.256 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000096493501 534392221 /nfs/dbraw/zinc/39/22/21/534392221.db2.gz SGZQGEBNKIBDOQ-CFVMTHIKSA-N 1 0 292.448 3.197 50 0 CGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1CCc1ccncc1)c1ccccc1 ZINC000096441731 534404556 /nfs/dbraw/zinc/40/45/56/534404556.db2.gz SPXQQVJGVNOMGZ-OALUTQOASA-N 1 0 296.414 3.212 50 0 CGAARO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C1CCOCC1 ZINC000096477504 526629275 /nfs/dbraw/zinc/62/92/75/526629275.db2.gz JMOVOVPPEPBVSJ-MRXNPFEDSA-N 1 0 295.398 3.388 50 0 CGAARO CCS[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(CC)c2C)C1 ZINC000096494377 529234748 /nfs/dbraw/zinc/23/47/48/529234748.db2.gz KVIPQMHHANAITE-KBPBESRZSA-N 1 0 281.469 3.284 50 0 CGAARO Fc1ccccc1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000032891450 570410003 /nfs/dbraw/zinc/41/00/03/570410003.db2.gz XDYZEABABGMQGS-CHWSQXEVSA-N 1 0 264.369 3.329 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH3+])c2ccccc21 ZINC000950756040 613995817 /nfs/dbraw/zinc/99/58/17/613995817.db2.gz DUXYXFLJKUCGQT-QWHCGFSZSA-N 1 0 262.353 3.046 50 0 CGAARO CCC[N@@H+]1CCC[C@@H](NCc2cccc(O)c2Cl)C1 ZINC000952990966 614658700 /nfs/dbraw/zinc/65/87/00/614658700.db2.gz NQBBCKVHHGDGJH-CYBMUJFWSA-N 1 0 282.815 3.010 50 0 CGAARO CC[N@H+](CCn1cccn1)Cc1cc(C)c(OC)cc1C ZINC000952973122 615060906 /nfs/dbraw/zinc/06/09/06/615060906.db2.gz RLDWKCKNKQGGID-UHFFFAOYSA-N 1 0 287.407 3.031 50 0 CGAARO c1ccc(-c2ccccc2OCCCN2CC[NH2+]CC2)cc1 ZINC000022032666 617901907 /nfs/dbraw/zinc/90/19/07/617901907.db2.gz DKLBDMWARIMERP-UHFFFAOYSA-N 1 0 296.414 3.028 50 0 CGAARO CN1CCC[N@@H+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000022455793 618184708 /nfs/dbraw/zinc/18/47/08/618184708.db2.gz PMKQOBLBMQQFQP-UHFFFAOYSA-N 1 0 252.446 3.229 50 0 CGAARO Fc1ccccc1OCCCCCC[NH+]1CCOCC1 ZINC000023115551 618677643 /nfs/dbraw/zinc/67/76/43/618677643.db2.gz XZXRTYXUMOYKHI-UHFFFAOYSA-N 1 0 281.371 3.097 50 0 CGAARO C[C@@H]([C@H](O)c1ccc2c(c1)CCCC2)[NH+]1CCCCC1 ZINC000003684566 618893579 /nfs/dbraw/zinc/89/35/79/618893579.db2.gz RUELEOXXLSELNB-KSSFIOAISA-N 1 0 273.420 3.473 50 0 CGAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)COc1cccc(Cl)c1 ZINC000004845420 619215998 /nfs/dbraw/zinc/21/59/98/619215998.db2.gz CANACWMIUIUXRF-DOMZBBRYSA-N 1 0 283.799 3.124 50 0 CGAARO CO[C@@H]1CCC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000903103466 621575407 /nfs/dbraw/zinc/57/54/07/621575407.db2.gz IMVDQTFXGJAOSP-UONOGXRCSA-N 1 0 285.428 3.046 50 0 CGAARO CCOCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000863982576 629722080 /nfs/dbraw/zinc/72/20/80/629722080.db2.gz UILDLWGNDUFPLP-LBPRGKRZSA-N 1 0 260.337 3.029 50 0 CGAARO CCC[C@@]1(CO)CC[N@H+](CCOc2c(C)cccc2C)C1 ZINC000808796801 630678909 /nfs/dbraw/zinc/67/89/09/630678909.db2.gz RHWZFDQJMCYPQA-GOSISDBHSA-N 1 0 291.435 3.167 50 0 CGAARO Cc1cccc(N2CCC([N@H+](C)Cc3cc[nH]n3)CC2)c1C ZINC000952962213 636775309 /nfs/dbraw/zinc/77/53/09/636775309.db2.gz AWOBHXQWOAJLEW-UHFFFAOYSA-N 1 0 298.434 3.127 50 0 CGAARO Cc1ncc(C[NH2+][C@@H](CC(C)(C)C)c2cccnc2)cn1 ZINC000952969373 636776237 /nfs/dbraw/zinc/77/62/37/636776237.db2.gz DYSQEWXYTVAVNB-INIZCTEOSA-N 1 0 284.407 3.447 50 0 CGAARO Fc1ccc(F)c(C[NH2+][C@@H]2COc3ccccc3C2)c1F ZINC000020785043 641045213 /nfs/dbraw/zinc/04/52/13/641045213.db2.gz VHTWZCJRQHIJBG-NSHDSACASA-N 1 0 293.288 3.197 50 0 CGAARO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)o1 ZINC000585125910 799677756 /nfs/dbraw/zinc/67/77/56/799677756.db2.gz ILDVMSRYRUULKX-RYUDHWBXSA-N 1 0 298.814 3.268 50 0 CGAARO CCn1nc(C)c([C@H](C)[NH2+]C2CSCCSC2)c1C ZINC000823593465 800467840 /nfs/dbraw/zinc/46/78/40/800467840.db2.gz WTTYHTBGOUKUHM-JTQLQIEISA-N 1 0 299.509 3.019 50 0 CGAARO c1cnn(Cc2cccc(C[N@H+]3C[C@@H]4CC[C@@H](C4)C3)c2)c1 ZINC000829065046 800484002 /nfs/dbraw/zinc/48/40/02/800484002.db2.gz UVPIQRCYYUDUMJ-HDICACEKSA-N 1 0 281.403 3.163 50 0 CGAARO CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3ccsc32)C1 ZINC000952845728 800684330 /nfs/dbraw/zinc/68/43/30/800684330.db2.gz LFYSAOFYTJUHIP-ZDUSSCGKSA-N 1 0 288.416 3.068 50 0 CGAARO C[N@@H+]1CCC[C@@H]1c1nc(-c2nccc3ccccc32)no1 ZINC000952883253 800687430 /nfs/dbraw/zinc/68/74/30/800687430.db2.gz SNECPHKCFMPHPQ-CYBMUJFWSA-N 1 0 280.331 3.052 50 0 CGAARO C[C@H]([NH2+]C1CSCCSC1)c1cc(F)cc(F)c1 ZINC001506400022 937989524 /nfs/dbraw/zinc/98/95/24/937989524.db2.gz GWBAANXIBMYKFS-VIFPVBQESA-N 1 0 289.416 3.464 50 0 CGAARO CCc1cc(C[N@H+](C)CCc2nc3cc(C)ccc3[nH]2)on1 ZINC001506411029 937989961 /nfs/dbraw/zinc/98/99/61/937989961.db2.gz YTUABZBDWLEVKV-UHFFFAOYSA-N 1 0 298.390 3.096 50 0 CGAARO c1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000096447513 230374928 /nfs/dbraw/zinc/37/49/28/230374928.db2.gz CEMPNKUGXBIHIH-HUUCEWRRSA-N 1 0 259.374 3.368 50 0 CGAARO C[C@@H](CO)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493421 230383272 /nfs/dbraw/zinc/38/32/72/230383272.db2.gz OINYDUKDAGCZAL-IUCAKERBSA-N 1 0 253.729 3.118 50 0 CGAARO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000097017072 230386209 /nfs/dbraw/zinc/38/62/09/230386209.db2.gz FHSUABMMHNFSIB-YCPHGPKFSA-N 1 0 279.399 3.288 50 0 CGAARO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000002578321 230367288 /nfs/dbraw/zinc/36/72/88/230367288.db2.gz QZSYUWQELBNZEE-YQQAZPJKSA-N 1 0 291.435 3.021 50 0 CGAARO C[NH2+][C@@H](COc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000095627549 185016955 /nfs/dbraw/zinc/01/69/55/185016955.db2.gz NHSIHNJNEYLTBS-LBPRGKRZSA-N 1 0 260.164 3.370 50 0 CGAARO Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000095946615 185038058 /nfs/dbraw/zinc/03/80/58/185038058.db2.gz NHHQDJLQQXAKFM-AWEZNQCLSA-N 1 0 296.370 3.335 50 0 CGAARO Cc1cc(NC(=O)[C@@H]([NH2+][C@@H](C)C2CC2)c2ccccc2)no1 ZINC000095946726 185038261 /nfs/dbraw/zinc/03/82/61/185038261.db2.gz YQNVPTUHWQTLPX-LRDDRELGSA-N 1 0 299.374 3.051 50 0 CGAARO CSCC[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000095968206 185046391 /nfs/dbraw/zinc/04/63/91/185046391.db2.gz DBLRTEXPIYSJDJ-VNBZBWLYSA-N 1 0 285.478 3.216 50 0 CGAARO Cc1cnc(CC[NH2+][C@@H]2CCc3ccccc3C2)s1 ZINC000095968533 185048134 /nfs/dbraw/zinc/04/81/34/185048134.db2.gz SKKFHLPRJSAVAI-OAHLLOKOSA-N 1 0 272.417 3.141 50 0 CGAARO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(C)nc1)CC2 ZINC000095973571 185049278 /nfs/dbraw/zinc/04/92/78/185049278.db2.gz LHSUPQDWBDIBAY-GOSISDBHSA-N 1 0 296.414 3.088 50 0 CGAARO Cc1ncccc1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095978207 185051880 /nfs/dbraw/zinc/05/18/80/185051880.db2.gz OMLSGFXBIOKDMZ-SJKOYZFVSA-N 1 0 288.366 3.131 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000095991122 185058686 /nfs/dbraw/zinc/05/86/86/185058686.db2.gz VGEGFDUJGRNSOG-QWHCGFSZSA-N 1 0 299.846 3.065 50 0 CGAARO C[C@H]1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000000220295 136396644 /nfs/dbraw/zinc/39/66/44/136396644.db2.gz WNNUQIOCQMNFFA-DOTOQJQBSA-N 1 0 258.409 3.387 50 0 CGAARO OC[C@H]1CCC[N@@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757670 344855852 /nfs/dbraw/zinc/85/58/52/344855852.db2.gz ZDGRGXAZRSYYIJ-ZLPCBKJTSA-N 1 0 273.420 3.417 50 0 CGAARO CCOC(=O)c1ccc(-c2cccc(CC[NH3+])c2)s1 ZINC000072233569 345407057 /nfs/dbraw/zinc/40/70/57/345407057.db2.gz VHLXNGACQVFRPH-UHFFFAOYSA-N 1 0 275.373 3.093 50 0 CGAARO CC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccccc2)CC1 ZINC000072312366 345409498 /nfs/dbraw/zinc/40/94/98/345409498.db2.gz GRDQZKWXZFZNHZ-INIZCTEOSA-N 1 0 286.419 3.286 50 0 CGAARO CC(C)OC(=O)c1ccc(C[NH+]2CCCCC2)s1 ZINC000072312517 345409920 /nfs/dbraw/zinc/40/99/20/345409920.db2.gz DVPMEUGZVOHZKY-UHFFFAOYSA-N 1 0 267.394 3.299 50 0 CGAARO CCOc1cccc(C[NH2+]CCNc2ccccc2)c1 ZINC000075108028 345495364 /nfs/dbraw/zinc/49/53/64/345495364.db2.gz NKTDSVXRDYPJMX-UHFFFAOYSA-N 1 0 270.376 3.287 50 0 CGAARO CC(C)C(=O)Nc1cccc(C[NH2+]C2CCSCC2)c1 ZINC000078803360 345622260 /nfs/dbraw/zinc/62/22/60/345622260.db2.gz RNZCNEVQVFQHJR-UHFFFAOYSA-N 1 0 292.448 3.266 50 0 CGAARO CN(Cc1cccs1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000095427965 345900456 /nfs/dbraw/zinc/90/04/56/345900456.db2.gz HTKAXMDERDMUPQ-ZIAGYGMSSA-N 1 0 280.437 3.004 50 0 CGAARO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1)C1CCOCC1 ZINC000096478720 345903295 /nfs/dbraw/zinc/90/32/95/345903295.db2.gz RQRQEQCJIURVOY-YQQAZPJKSA-N 1 0 288.435 3.059 50 0 CGAARO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2)C(C)(C)C)o1 ZINC000097230880 345907601 /nfs/dbraw/zinc/90/76/01/345907601.db2.gz HNVBORFATBEOBX-AWEZNQCLSA-N 1 0 273.380 3.125 50 0 CGAARO Cc1ncccc1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000097378279 345908815 /nfs/dbraw/zinc/90/88/15/345908815.db2.gz BBRDCUHIDQWGJX-INIZCTEOSA-N 1 0 290.794 3.041 50 0 CGAARO COc1ccccc1[C@@H](C)Nc1cc(N(C)C)cc[nH+]1 ZINC000170594443 346194289 /nfs/dbraw/zinc/19/42/89/346194289.db2.gz DPYRVPDZLJZJBY-GFCCVEGCSA-N 1 0 271.364 3.329 50 0 CGAARO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)[C@@H](c2ccco2)C1 ZINC000195554297 346273172 /nfs/dbraw/zinc/27/31/72/346273172.db2.gz ZHFBAGLAWAQLLB-FRFSOERESA-N 1 0 298.386 3.279 50 0 CGAARO C[C@H]1C[C@H]([NH2+]CCCCn2ccccc2=O)C[C@@H](C)C1 ZINC000253369254 346394303 /nfs/dbraw/zinc/39/43/03/346394303.db2.gz AIDDSIPBADMCBK-ZSHCYNCHSA-N 1 0 276.424 3.043 50 0 CGAARO Cc1nccn1C[C@H](C)[NH2+]C1(c2cc(F)cc(F)c2)CC1 ZINC000584895427 346723111 /nfs/dbraw/zinc/72/31/11/346723111.db2.gz XXFYMVOLHGLWMH-NSHDSACASA-N 1 0 291.345 3.137 50 0 CGAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000584898633 346723129 /nfs/dbraw/zinc/72/31/29/346723129.db2.gz XOEXLBWPELRNRB-INIZCTEOSA-N 1 0 283.419 3.373 50 0 CGAARO Cc1cccnc1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 ZINC000091425705 180151922 /nfs/dbraw/zinc/15/19/22/180151922.db2.gz WCRKICDEXVXLEW-ZWKOTPCHSA-N 1 0 299.462 3.086 50 0 CGAARO C[C@H](c1cccc(-c2cn(Cc3ccoc3)nn2)c1)[NH+](C)C ZINC000092001425 180303950 /nfs/dbraw/zinc/30/39/50/180303950.db2.gz ZIOXIVPWKQLDTC-CYBMUJFWSA-N 1 0 296.374 3.209 50 0 CGAARO Oc1cccc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC000092164443 180335759 /nfs/dbraw/zinc/33/57/59/180335759.db2.gz KVIPOSMWRBBXSO-UHFFFAOYSA-N 1 0 282.387 3.469 50 0 CGAARO Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107686751 186184532 /nfs/dbraw/zinc/18/45/32/186184532.db2.gz WRHIKDLQQNYBGV-INIZCTEOSA-N 1 0 277.408 3.122 50 0 CGAARO c1ccc(N[C@@H]2CCC[N@@H+](CCc3ccncc3)C2)cc1 ZINC000154894153 188168323 /nfs/dbraw/zinc/16/83/23/188168323.db2.gz WVIIHAQZPVDNQK-GOSISDBHSA-N 1 0 281.403 3.201 50 0 CGAARO Cc1csc(C2([NH2+][C@@H](C)C3CCOCC3)CCC2)n1 ZINC000170067320 188668041 /nfs/dbraw/zinc/66/80/41/188668041.db2.gz NPYPKTVZTLFVNY-LBPRGKRZSA-N 1 0 280.437 3.235 50 0 CGAARO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000299790839 200875272 /nfs/dbraw/zinc/87/52/72/200875272.db2.gz CNWBYZQBVFKZDG-LBPRGKRZSA-N 1 0 295.814 3.302 50 0 CGAARO Fc1ccc(/C=C/CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000215217065 189691659 /nfs/dbraw/zinc/69/16/59/189691659.db2.gz PWCKBPVUZORZDS-WRFKIARRSA-N 1 0 288.410 3.399 50 0 CGAARO CCN(CC[NH+]1CCCC1)Cc1cccc2ncccc12 ZINC000218866174 376191831 /nfs/dbraw/zinc/19/18/31/376191831.db2.gz NUGJGRNEMOQAAZ-UHFFFAOYSA-N 1 0 283.419 3.153 50 0 CGAARO CC1(C)C[C@H]([C@H](CC[NH3+])Cc2ccccc2)CCO1 ZINC000000244191 368324503 /nfs/dbraw/zinc/32/45/03/368324503.db2.gz IGPXGEIGHLYILV-HZPDHXFCSA-N 1 0 261.409 3.399 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000000236921 368321383 /nfs/dbraw/zinc/32/13/83/368321383.db2.gz BAPJBXNYFMRBNC-CQSZACIVSA-N 1 0 293.432 3.184 50 0 CGAARO CC1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000000249933 368325921 /nfs/dbraw/zinc/32/59/21/368325921.db2.gz AHEYELADTAJUDK-KRWDZBQOSA-N 1 0 299.414 3.311 50 0 CGAARO CC1CC[NH+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000000459518 368371115 /nfs/dbraw/zinc/37/11/15/368371115.db2.gz FJHWBIQXBLWHIE-ULQDDVLXSA-N 1 0 297.483 3.311 50 0 CGAARO O=C(CC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000000296528 368334793 /nfs/dbraw/zinc/33/47/93/368334793.db2.gz XTKSQGRNAYNEOE-UHFFFAOYSA-N 1 0 251.757 3.399 50 0 CGAARO C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000000394248 368357006 /nfs/dbraw/zinc/35/70/06/368357006.db2.gz GYJOCHRATGGAMO-HNNXBMFYSA-N 1 0 271.360 3.207 50 0 CGAARO CC[NH+]1CCC(NCc2cccc(C(F)(F)F)c2)CC1 ZINC000000757802 368395119 /nfs/dbraw/zinc/39/51/19/368395119.db2.gz FEAKYVSJILFUDP-UHFFFAOYSA-N 1 0 286.341 3.279 50 0 CGAARO CC(C)(C)C1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000002499040 368457155 /nfs/dbraw/zinc/45/71/55/368457155.db2.gz VQYRULQZBDVEKI-UHFFFAOYSA-N 1 0 280.456 3.193 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000002573298 368466128 /nfs/dbraw/zinc/46/61/28/368466128.db2.gz UMGMIRCFIDBCPX-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO COCC[NH2+]CCCOc1cc(C)cc(C(C)C)c1 ZINC000003003219 368488232 /nfs/dbraw/zinc/48/82/32/368488232.db2.gz YQUSMHHGLXFJAO-UHFFFAOYSA-N 1 0 265.397 3.123 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCC3)O2)[C@@H](C)C1 ZINC000004094086 368529971 /nfs/dbraw/zinc/52/99/71/368529971.db2.gz FTLAMGAOAHIHBM-QUSNUVHPSA-N 1 0 279.424 3.062 50 0 CGAARO CC[n+]1cccc(-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000004131581 368532380 /nfs/dbraw/zinc/53/23/80/368532380.db2.gz YPHISYRGJQYQSR-UHFFFAOYSA-N 1 0 269.299 3.455 50 0 CGAARO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000003395561 368506216 /nfs/dbraw/zinc/50/62/16/368506216.db2.gz HZLNHHAVICFFEX-SJORKVTESA-N 1 0 299.414 3.394 50 0 CGAARO CC[NH+]1CCC(Nc2ccccc2SC)CC1 ZINC000003683724 368517770 /nfs/dbraw/zinc/51/77/70/368517770.db2.gz VDMPLMVLSMRFKN-UHFFFAOYSA-N 1 0 250.411 3.305 50 0 CGAARO Clc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCO1 ZINC000004657482 368554598 /nfs/dbraw/zinc/55/45/98/368554598.db2.gz IMGUKPKPMOGTLQ-VIFPVBQESA-N 1 0 260.164 3.262 50 0 CGAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]C3CCC3)C2)nc1 ZINC000011661116 368593310 /nfs/dbraw/zinc/59/33/10/368593310.db2.gz HXOAMHHVWJIOHO-ZDUSSCGKSA-N 1 0 299.340 3.211 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1)c1ccsc1 ZINC000012348287 368608052 /nfs/dbraw/zinc/60/80/52/368608052.db2.gz AOZUWFVAUGDBLW-AWEZNQCLSA-N 1 0 289.404 3.173 50 0 CGAARO CCc1[nH+]c2c(c(C)c(C)n2-c2cccnc2)c(N)c1C ZINC000012321689 368608484 /nfs/dbraw/zinc/60/84/84/368608484.db2.gz IDDMAMHNAQCYEG-UHFFFAOYSA-N 1 0 280.375 3.490 50 0 CGAARO COc1ccc(NC(=[NH2+])SCc2ccccn2)cc1 ZINC000015973685 368705804 /nfs/dbraw/zinc/70/58/04/368705804.db2.gz FYGXUYJSSXOBBL-UHFFFAOYSA-N 1 0 273.361 3.370 50 0 CGAARO C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)C[C@H](C)O1 ZINC000016192708 368708132 /nfs/dbraw/zinc/70/81/32/368708132.db2.gz VQSJNLVWGRESGA-GASCZTMLSA-N 1 0 285.387 3.328 50 0 CGAARO C[NH+](C)CCOc1cccc(Oc2ccccc2)c1 ZINC000016247832 368710456 /nfs/dbraw/zinc/71/04/56/368710456.db2.gz MIFKOTQKNQKXNI-UHFFFAOYSA-N 1 0 257.333 3.419 50 0 CGAARO CC(C)(C)OC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000016678737 368719690 /nfs/dbraw/zinc/71/96/90/368719690.db2.gz KQDBEBIAZIIQIW-UHFFFAOYSA-N 1 0 282.428 3.262 50 0 CGAARO c1ccc(Oc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632224 368684288 /nfs/dbraw/zinc/68/42/88/368684288.db2.gz KFLZZGCJBPDOII-INIZCTEOSA-N 1 0 255.317 3.220 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2F)c(OC)c1 ZINC000019720589 368760854 /nfs/dbraw/zinc/76/08/54/368760854.db2.gz BDIVPIAMPKWPBO-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO CC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019737911 368762653 /nfs/dbraw/zinc/76/26/53/368762653.db2.gz BFQINCRRDWDXIZ-CJNGLKHVSA-N 1 0 263.381 3.133 50 0 CGAARO CN(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000019743227 368762964 /nfs/dbraw/zinc/76/29/64/368762964.db2.gz JFMHLXYBSXRRKM-SFHVURJKSA-N 1 0 272.436 3.178 50 0 CGAARO CN1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019537008 368757185 /nfs/dbraw/zinc/75/71/85/368757185.db2.gz XFOBWBALQPDRKD-UHFFFAOYSA-N 1 0 266.388 3.101 50 0 CGAARO OCC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1 ZINC000023114899 368815686 /nfs/dbraw/zinc/81/56/86/368815686.db2.gz AIPJPDQTBYBGPS-CQSZACIVSA-N 1 0 298.224 3.186 50 0 CGAARO C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)c1ccccc1 ZINC000023280047 368818329 /nfs/dbraw/zinc/81/83/29/368818329.db2.gz YLBDUBRHZYYZFS-MRXNPFEDSA-N 1 0 277.314 3.130 50 0 CGAARO Clc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000023542447 368822029 /nfs/dbraw/zinc/82/20/29/368822029.db2.gz XCCOKWREMIGIOM-OAHLLOKOSA-N 1 0 273.763 3.433 50 0 CGAARO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000023652685 368823278 /nfs/dbraw/zinc/82/32/78/368823278.db2.gz AUAAKIIURLFASQ-OAHLLOKOSA-N 1 0 282.387 3.275 50 0 CGAARO Clc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)c(Cl)c1 ZINC000019946297 368787780 /nfs/dbraw/zinc/78/77/80/368787780.db2.gz WUCXPKJDXTYMPE-CQSZACIVSA-N 1 0 285.218 3.177 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000029167288 368891832 /nfs/dbraw/zinc/89/18/32/368891832.db2.gz LTNXQGHSZHOKEF-INIZCTEOSA-N 1 0 286.375 3.093 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000029482912 368896893 /nfs/dbraw/zinc/89/68/93/368896893.db2.gz MMFHFSQZCJFSOC-KRWDZBQOSA-N 1 0 298.361 3.384 50 0 CGAARO CC(C)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030148431 368900889 /nfs/dbraw/zinc/90/08/89/368900889.db2.gz CMTGRYLMQHUEJU-JTQLQIEISA-N 1 0 286.778 3.394 50 0 CGAARO Clc1ccc(COC2CC[NH2+]CC2)cc1Cl ZINC000031839928 368919279 /nfs/dbraw/zinc/91/92/79/368919279.db2.gz GOUZDPRTQFIDBF-UHFFFAOYSA-N 1 0 260.164 3.262 50 0 CGAARO Fc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000032735843 368942792 /nfs/dbraw/zinc/94/27/92/368942792.db2.gz WGTMYFXJWGTKKO-UHFFFAOYSA-N 1 0 281.334 3.301 50 0 CGAARO Cc1occc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000032827458 368946594 /nfs/dbraw/zinc/94/65/94/368946594.db2.gz BPRXYBQXGHVMTI-UHFFFAOYSA-N 1 0 284.359 3.436 50 0 CGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000036079621 369007391 /nfs/dbraw/zinc/00/73/91/369007391.db2.gz LINJRQQOAPEZPI-GOSISDBHSA-N 1 0 294.398 3.254 50 0 CGAARO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)o1 ZINC000036097523 369008406 /nfs/dbraw/zinc/00/84/06/369008406.db2.gz HFFDBLOSBPQUQP-INIZCTEOSA-N 1 0 297.439 3.080 50 0 CGAARO COc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052328 368993901 /nfs/dbraw/zinc/99/39/01/368993901.db2.gz ONRZNXPEXUGCPY-UHFFFAOYSA-N 1 0 299.399 3.437 50 0 CGAARO O[C@H](C[NH2+]C1CCCCCC1)c1ccc(F)c(F)c1 ZINC000037885814 369122845 /nfs/dbraw/zinc/12/28/45/369122845.db2.gz QYBKLWYCQXZKDS-OAHLLOKOSA-N 1 0 269.335 3.311 50 0 CGAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000037991480 369134777 /nfs/dbraw/zinc/13/47/77/369134777.db2.gz SXMUDJCZWTUETH-UHFFFAOYSA-N 1 0 292.398 3.020 50 0 CGAARO COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000038264698 369144686 /nfs/dbraw/zinc/14/46/86/369144686.db2.gz CGUGCZSRPDCLBT-KRWDZBQOSA-N 1 0 267.372 3.329 50 0 CGAARO CC(C)[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccccc1 ZINC000041111701 369173855 /nfs/dbraw/zinc/17/38/55/369173855.db2.gz BCPVYWKOQNOPGM-INIZCTEOSA-N 1 0 290.451 3.273 50 0 CGAARO CC[C@H](C)c1ccc(OC2C[NH2+]C2)c(Br)c1 ZINC000042769558 369230687 /nfs/dbraw/zinc/23/06/87/369230687.db2.gz LMFHVFDNAPIOQX-VIFPVBQESA-N 1 0 284.197 3.313 50 0 CGAARO Brc1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000042772650 369230739 /nfs/dbraw/zinc/23/07/39/369230739.db2.gz XPEMJEACXNPSRR-UHFFFAOYSA-N 1 0 284.197 3.218 50 0 CGAARO Clc1cccc(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000042771911 369231286 /nfs/dbraw/zinc/23/12/86/369231286.db2.gz SMKSVMKPVQNJTA-GFCCVEGCSA-N 1 0 253.773 3.246 50 0 CGAARO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000042976519 369239296 /nfs/dbraw/zinc/23/92/96/369239296.db2.gz IHXKBQYVVCYEDZ-INIZCTEOSA-N 1 0 263.381 3.086 50 0 CGAARO OC1CCC([NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000049021053 369382475 /nfs/dbraw/zinc/38/24/75/369382475.db2.gz OFWSJFKXCJZJSN-UHFFFAOYSA-N 1 0 294.445 3.265 50 0 CGAARO C[N@@H+](CC(=O)Nc1ccccc1Cl)CC1CCCC1 ZINC000049492144 369405103 /nfs/dbraw/zinc/40/51/03/369405103.db2.gz RVBGAJDNZYAGCU-UHFFFAOYSA-N 1 0 280.799 3.401 50 0 CGAARO C[NH2+]C[C@@H]1Cc2ccccc2CN1Cc1ccccc1C ZINC000051860103 369456008 /nfs/dbraw/zinc/45/60/08/369456008.db2.gz LAUKWGHNEQLETA-IBGZPJMESA-N 1 0 280.415 3.141 50 0 CGAARO COc1ccccc1C[NH+]1CCN(c2ccccc2C)CC1 ZINC000055543733 369520701 /nfs/dbraw/zinc/52/07/01/369520701.db2.gz MCCRGQQBMIHDOP-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO COc1ccc(C[N@H+](C)Cc2ccccc2)cc1F ZINC000057992414 369551280 /nfs/dbraw/zinc/55/12/80/369551280.db2.gz WACUQNFWHBHDKG-UHFFFAOYSA-N 1 0 259.324 3.466 50 0 CGAARO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 ZINC000058173330 369556300 /nfs/dbraw/zinc/55/63/00/369556300.db2.gz SYEMBWKUVGYMSS-HNNXBMFYSA-N 1 0 286.419 3.111 50 0 CGAARO COc1c(C[NH2+][C@@H](C)c2cc(C)sc2C)c(C)nn1C ZINC000058393378 369566979 /nfs/dbraw/zinc/56/69/79/369566979.db2.gz YRBOUFQDCPIPLK-JTQLQIEISA-N 1 0 293.436 3.266 50 0 CGAARO C([NH2+]C1CCCCCC1)C1(N2CCOCC2)CCCCC1 ZINC000061013545 369595353 /nfs/dbraw/zinc/59/53/53/369595353.db2.gz LDONBDYHJSXOMU-UHFFFAOYSA-N 1 0 294.483 3.334 50 0 CGAARO Cc1ncccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063884115 369649917 /nfs/dbraw/zinc/64/99/17/369649917.db2.gz ZJFYCSILPSNACE-LSDHHAIUSA-N 1 0 260.381 3.033 50 0 CGAARO Cc1cc(-n2nc(C3CC3)nc2C[C@@H]2C=CCC2)cc[nH+]1 ZINC000065381734 369670657 /nfs/dbraw/zinc/67/06/57/369670657.db2.gz MOIXCRLGOOJFAA-CYBMUJFWSA-N 1 0 280.375 3.357 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000064666916 369659641 /nfs/dbraw/zinc/65/96/41/369659641.db2.gz WDYGLTAMMUKARO-HNNXBMFYSA-N 1 0 272.348 3.329 50 0 CGAARO CCOc1cc(C[N@H+](C)Cc2ccncc2C)ccc1O ZINC000065394554 369672281 /nfs/dbraw/zinc/67/22/81/369672281.db2.gz KXRSHXVWMGCYED-UHFFFAOYSA-N 1 0 286.375 3.126 50 0 CGAARO Cc1sc2ncnc(NCC[C@@H]3CCC[N@H+]3C)c2c1C ZINC000065393733 369672849 /nfs/dbraw/zinc/67/28/49/369672849.db2.gz XWOUPZVAWZATSH-LBPRGKRZSA-N 1 0 290.436 3.204 50 0 CGAARO CCc1nccn1CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000065420789 369676083 /nfs/dbraw/zinc/67/60/83/369676083.db2.gz XNDLNXFTXZFZGY-CQSZACIVSA-N 1 0 263.429 3.394 50 0 CGAARO CCC(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000065515464 369680867 /nfs/dbraw/zinc/68/08/67/369680867.db2.gz WCOTXSYDVSIPJP-LBPRGKRZSA-N 1 0 260.381 3.395 50 0 CGAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccccc1)C1CC1 ZINC000065528462 369682219 /nfs/dbraw/zinc/68/22/19/369682219.db2.gz ZSBCTRODZDUSCE-UHFFFAOYSA-N 1 0 269.392 3.202 50 0 CGAARO Cn1c2ccccc2nc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000066970703 369708281 /nfs/dbraw/zinc/70/82/81/369708281.db2.gz MVGFYUUFQJRWLQ-OAHLLOKOSA-N 1 0 277.371 3.350 50 0 CGAARO CC(C)c1noc([C@@H](C)N(C)CCOc2ccccc2)n1 ZINC000069420394 369759254 /nfs/dbraw/zinc/75/92/54/369759254.db2.gz WPELGHQTALGGLQ-CYBMUJFWSA-N 1 0 289.379 3.265 50 0 CGAARO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534842 369763241 /nfs/dbraw/zinc/76/32/41/369763241.db2.gz JYWGIVJNOTYUES-GUYCJALGSA-N 1 0 292.386 3.097 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000069655288 369766339 /nfs/dbraw/zinc/76/63/39/369766339.db2.gz REZJEVWZGQDAMS-AWEZNQCLSA-N 1 0 296.374 3.025 50 0 CGAARO Cc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)nc1 ZINC000067679269 369723882 /nfs/dbraw/zinc/72/38/82/369723882.db2.gz UYXOIXDFTJKVCJ-UHFFFAOYSA-N 1 0 290.794 3.038 50 0 CGAARO COc1ccc(-c2nccn2CCc2c[nH]cn2)c(C)c1C ZINC000067714015 369726013 /nfs/dbraw/zinc/72/60/13/369726013.db2.gz PJHKWANCEGUGNM-UHFFFAOYSA-N 1 0 296.374 3.141 50 0 CGAARO CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)CC1CCOCC1 ZINC000067850450 369733066 /nfs/dbraw/zinc/73/30/66/369733066.db2.gz RTADAZMODUHWMD-UHFFFAOYSA-N 1 0 299.418 3.121 50 0 CGAARO Fc1cccc(-c2n[nH]c3c2C[N@H+](CC2CCC2)CC3)c1 ZINC000067871629 369734125 /nfs/dbraw/zinc/73/41/25/369734125.db2.gz BIDDRIMTXYUKCC-UHFFFAOYSA-N 1 0 285.366 3.374 50 0 CGAARO Oc1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1 ZINC000071770881 369810210 /nfs/dbraw/zinc/81/02/10/369810210.db2.gz RADHUYUUBOPPDK-HNNXBMFYSA-N 1 0 298.386 3.235 50 0 CGAARO CCC(=O)O[C@@H](c1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000071772201 369810643 /nfs/dbraw/zinc/81/06/43/369810643.db2.gz BCQAFTMYJILPBS-ZBFHGGJFSA-N 1 0 261.365 3.023 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000071828172 369811784 /nfs/dbraw/zinc/81/17/84/369811784.db2.gz WXADSKXFHYXCKH-AEFFLSMTSA-N 1 0 299.418 3.284 50 0 CGAARO COc1cc(CN2CCCC[C@H]2CC[NH+](C)C)ccc1F ZINC000072427400 369819440 /nfs/dbraw/zinc/81/94/40/369819440.db2.gz 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/nfs/dbraw/zinc/01/33/69/370013369.db2.gz MVJVMJQOCPVTML-AAEUAGOBSA-N 1 0 291.345 3.390 50 0 CGAARO CC[C@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000084733420 370014789 /nfs/dbraw/zinc/01/47/89/370014789.db2.gz KWGGNBRHXYXOSS-HOTGVXAUSA-N 1 0 299.418 3.027 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087784877 370029854 /nfs/dbraw/zinc/02/98/54/370029854.db2.gz ZJSKXUTVCJROCT-IRXDYDNUSA-N 1 0 258.409 3.041 50 0 CGAARO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccnn1C)CCCO2 ZINC000089582652 370043288 /nfs/dbraw/zinc/04/32/88/370043288.db2.gz RXXKCFYFWDVPJJ-INIZCTEOSA-N 1 0 285.391 3.040 50 0 CGAARO CO[C@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1Cl ZINC000090453363 370060275 /nfs/dbraw/zinc/06/02/75/370060275.db2.gz XLFPELFYQJDZDO-BLLLJJGKSA-N 1 0 297.826 3.432 50 0 CGAARO C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000089894505 370051064 /nfs/dbraw/zinc/05/10/64/370051064.db2.gz ZLYYBERASHVLAJ-ZBFHGGJFSA-N 1 0 294.483 3.249 50 0 CGAARO CC[C@@H]([NH2+]CCCn1ccnc1)c1ccc(F)cc1F ZINC000089947843 370052599 /nfs/dbraw/zinc/05/25/99/370052599.db2.gz QJWMAGYXPRWMPE-OAHLLOKOSA-N 1 0 279.334 3.292 50 0 CGAARO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OC)s2)C1 ZINC000093419575 370127904 /nfs/dbraw/zinc/12/79/04/370127904.db2.gz LJWZYZWCEZZTOC-GFCCVEGCSA-N 1 0 269.410 3.005 50 0 CGAARO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093809429 370160172 /nfs/dbraw/zinc/16/01/72/370160172.db2.gz KQSOBBZOAJREFZ-OAHLLOKOSA-N 1 0 291.439 3.117 50 0 CGAARO Cc1nccn1CC1CC[NH+](Cc2ccsc2)CC1 ZINC000097394136 370241581 /nfs/dbraw/zinc/24/15/81/370241581.db2.gz AQUXZEFOSNWOTN-UHFFFAOYSA-N 1 0 275.421 3.165 50 0 CGAARO Cc1cccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)c1C ZINC000097813893 370254594 /nfs/dbraw/zinc/25/45/94/370254594.db2.gz FGUUGQRLSCNAEC-UHFFFAOYSA-N 1 0 295.430 3.113 50 0 CGAARO COc1cccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)n1 ZINC000095421896 370188085 /nfs/dbraw/zinc/18/80/85/370188085.db2.gz AHUJCPOXCSHDFE-MRXNPFEDSA-N 1 0 268.360 3.176 50 0 CGAARO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccccc1F ZINC000095422967 370190247 /nfs/dbraw/zinc/19/02/47/370190247.db2.gz KFDMVZLPCHZXTA-NHYWBVRUSA-N 1 0 279.380 3.446 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCO)s1 ZINC000095423113 370190295 /nfs/dbraw/zinc/19/02/95/370190295.db2.gz ZIWUEMMFWKCNCE-ZDUSSCGKSA-N 1 0 291.416 3.278 50 0 CGAARO OCC[C@H](C[NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000095434038 370192842 /nfs/dbraw/zinc/19/28/42/370192842.db2.gz IDUZIMCYFZTBPD-DOTOQJQBSA-N 1 0 259.393 3.099 50 0 CGAARO CC(C)c1nc(C[N@H+](C)C2Cc3ccccc3C2)co1 ZINC000097694749 370251578 /nfs/dbraw/zinc/25/15/78/370251578.db2.gz FVOODNVKQGAHII-UHFFFAOYSA-N 1 0 270.376 3.397 50 0 CGAARO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)c1 ZINC000095448855 370195228 /nfs/dbraw/zinc/19/52/28/370195228.db2.gz SYKYAWUUHKUQBM-SWLSCSKDSA-N 1 0 277.339 3.329 50 0 CGAARO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccn(C)n1 ZINC000095451573 370196656 /nfs/dbraw/zinc/19/66/56/370196656.db2.gz HFEQMZWKVFOIJO-LBPRGKRZSA-N 1 0 277.799 3.137 50 0 CGAARO CC(C)COC[C@@H]([NH2+][C@H]1CCCSC1)c1ccco1 ZINC000095454553 370197256 /nfs/dbraw/zinc/19/72/56/370197256.db2.gz RMLLRVZJAFXWQO-UONOGXRCSA-N 1 0 283.437 3.479 50 0 CGAARO C/C=C/C=C/C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000104168171 370338234 /nfs/dbraw/zinc/33/82/34/370338234.db2.gz GLERGCXZRRBYPB-LCAKCCRXSA-N 1 0 298.430 3.099 50 0 CGAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000112716672 370445398 /nfs/dbraw/zinc/44/53/98/370445398.db2.gz UVLYIIQWLKPQDD-LLVKDONJSA-N 1 0 290.338 3.094 50 0 CGAARO CSC(C)(C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000133987243 371294492 /nfs/dbraw/zinc/29/44/92/371294492.db2.gz REZITOPCMWCHPO-LLVKDONJSA-N 1 0 253.411 3.054 50 0 CGAARO O[C@H](C[NH2+]C1CC(c2cccc(F)c2)C1)Cc1ccccc1 ZINC000287247261 371628119 /nfs/dbraw/zinc/62/81/19/371628119.db2.gz ZFOWCRNPCQPAHF-KVZIAJEVSA-N 1 0 299.389 3.265 50 0 CGAARO CCc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n(C)n1 ZINC000426503585 372161809 /nfs/dbraw/zinc/16/18/09/372161809.db2.gz 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COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]c2)o1 ZINC000185677143 374712311 /nfs/dbraw/zinc/71/23/11/374712311.db2.gz FRKNGSKMYWNZID-CQSZACIVSA-N 1 0 260.337 3.091 50 0 CGAARO C[N@H+](CCc1ccncc1)CC1(c2ccccc2)CC1 ZINC000189318874 375364232 /nfs/dbraw/zinc/36/42/32/375364232.db2.gz PVXUAYWXWJKWOR-UHFFFAOYSA-N 1 0 266.388 3.288 50 0 CGAARO Cc1nccn1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000192740281 375784783 /nfs/dbraw/zinc/78/47/83/375784783.db2.gz SWXLIANDUVVVFA-HNNXBMFYSA-N 1 0 292.386 3.409 50 0 CGAARO Cc1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000193189244 375839104 /nfs/dbraw/zinc/83/91/04/375839104.db2.gz WCKSCFAARXCOBA-SFHVURJKSA-N 1 0 269.388 3.030 50 0 CGAARO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000194322383 375983756 /nfs/dbraw/zinc/98/37/56/375983756.db2.gz FLUOIMYXPSUFKP-WFASDCNBSA-N 1 0 271.364 3.319 50 0 CGAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(CC(C)C)no1 ZINC000194933964 376063146 /nfs/dbraw/zinc/06/31/46/376063146.db2.gz CRDGHBGZAGSRMT-INIZCTEOSA-N 1 0 295.427 3.049 50 0 CGAARO Cc1ncc(-c2ccc([C@H](C)[NH+](C)C)cc2)nc1C ZINC000215315113 376146793 /nfs/dbraw/zinc/14/67/93/376146793.db2.gz CRYGAYYMUJHIAZ-ZDUSSCGKSA-N 1 0 255.365 3.383 50 0 CGAARO Cc1nc2ccccc2nc1C[N@H+](C)CCC[C@H]1CCCO1 ZINC000215311652 376146831 /nfs/dbraw/zinc/14/68/31/376146831.db2.gz GUTRMXMDBIWCIM-HNNXBMFYSA-N 1 0 299.418 3.329 50 0 CGAARO CCCC[C@@H]1C=CC[N@@H+]1Cc1cnn2c1nc(C)cc2C ZINC000215210622 376147158 /nfs/dbraw/zinc/14/71/58/376147158.db2.gz KLXOGJFQBUVYKX-MRXNPFEDSA-N 1 0 284.407 3.277 50 0 CGAARO C1=C[C@@H]2[C@@H](C[C@H]2[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000216290093 376160404 /nfs/dbraw/zinc/16/04/04/376160404.db2.gz OZCZQLILAHNLPT-BHIYHBOVSA-N 1 0 282.431 3.205 50 0 CGAARO C1=C[C@H]2[C@H]([NH2+]C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000216290048 376161758 /nfs/dbraw/zinc/16/17/58/376161758.db2.gz OZCZQLILAHNLPT-QXAKKESOSA-N 1 0 282.431 3.205 50 0 CGAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2[nH]cnc2C)c1 ZINC000216259964 376161906 /nfs/dbraw/zinc/16/19/06/376161906.db2.gz CPLRQZQYGFIIRS-MRXNPFEDSA-N 1 0 271.364 3.064 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)c1ccncc1 ZINC000221709467 376219142 /nfs/dbraw/zinc/21/91/42/376219142.db2.gz VMKLSZBMXAUXNE-XOKHGSTOSA-N 1 0 282.387 3.262 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)c1ccncc1 ZINC000221709532 376219428 /nfs/dbraw/zinc/21/94/28/376219428.db2.gz VMKLSZBMXAUXNE-KBRIMQKVSA-N 1 0 282.387 3.262 50 0 CGAARO COCC[N@H+](C)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225533277 376314313 /nfs/dbraw/zinc/31/43/13/376314313.db2.gz RLECKUJXSJBMPF-UHFFFAOYSA-N 1 0 277.339 3.472 50 0 CGAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(Cl)sc1Cl ZINC000227289330 376388532 /nfs/dbraw/zinc/38/85/32/376388532.db2.gz FGXBRLBRRBQTQB-RQJHMYQMSA-N 1 0 293.219 3.007 50 0 CGAARO O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245225004 376801177 /nfs/dbraw/zinc/80/11/77/376801177.db2.gz KDJZTQPBTVVZLA-RWMBFGLXSA-N 1 0 251.395 3.019 50 0 CGAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2)[C@@H](C)C1 ZINC000245497916 376832617 /nfs/dbraw/zinc/83/26/17/376832617.db2.gz VABHHMYFXPQMHN-HOCLYGCPSA-N 1 0 289.423 3.189 50 0 CGAARO CC(C)n1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248714604 377385387 /nfs/dbraw/zinc/38/53/87/377385387.db2.gz KHBKKIATPQCVTG-LCGIIJARSA-N 1 0 289.423 3.072 50 0 CGAARO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccsc1 ZINC000252511552 377635864 /nfs/dbraw/zinc/63/58/64/377635864.db2.gz HXXASODUGXBTHQ-SNPRPXQTSA-N 1 0 267.438 3.330 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000253393970 377688731 /nfs/dbraw/zinc/68/87/31/377688731.db2.gz UDNPWCAZZRZSLZ-OAHLLOKOSA-N 1 0 257.337 3.024 50 0 CGAARO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(CO)cc1 ZINC000253426595 377694539 /nfs/dbraw/zinc/69/45/39/377694539.db2.gz YVGCTFHGOMVRMV-UHFFFAOYSA-N 1 0 285.387 3.212 50 0 CGAARO COc1ccc([C@H](C)C[NH2+]C(C)(C)c2nc(C)no2)cc1 ZINC000283912951 380104914 /nfs/dbraw/zinc/10/49/14/380104914.db2.gz IIRDPOJSCHUPBU-LLVKDONJSA-N 1 0 289.379 3.015 50 0 CGAARO COC[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717005 285240463 /nfs/dbraw/zinc/24/04/63/285240463.db2.gz ZDZSMFLFMAWAPC-IINYFYTJSA-N 1 0 276.405 3.372 50 0 CGAARO OC1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000095419129 285244167 /nfs/dbraw/zinc/24/41/67/285244167.db2.gz ODKARSBABXRQDK-SSDMNJCBSA-N 1 0 295.810 3.447 50 0 CGAARO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCCCCO ZINC000096421814 256761085 /nfs/dbraw/zinc/76/10/85/256761085.db2.gz RRIXJXPOMQVJMU-GXTWGEPZSA-N 1 0 253.411 3.089 50 0 CGAARO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(OC)cc2)cc1 ZINC000000757562 533498950 /nfs/dbraw/zinc/49/89/50/533498950.db2.gz CSCVPHQCJHHRLK-HNNXBMFYSA-N 1 0 299.414 3.467 50 0 CGAARO C[NH+](C)CCCN1c2ccccc2Nc2ccccc2C1=O ZINC000002037995 391912935 /nfs/dbraw/zinc/91/29/35/391912935.db2.gz TXFLRWLXYPVPIQ-UHFFFAOYSA-N 1 0 295.386 3.342 50 0 CGAARO CCCC[C@H](CC)[C@@H]1OC[C@H](C[NH+]2CCCC2)O1 ZINC000004124582 391918781 /nfs/dbraw/zinc/91/87/81/391918781.db2.gz YGCPCVLTZNXDDJ-SOUVJXGZSA-N 1 0 255.402 3.040 50 0 CGAARO CC(C)C[N@@H+](Cc1ccccn1)C[C@H](O)c1ccccc1 ZINC000071912077 392192733 /nfs/dbraw/zinc/19/27/33/392192733.db2.gz YWPVOGLESIBKMA-SFHVURJKSA-N 1 0 284.403 3.273 50 0 CGAARO CCOc1ccccc1[C@H](CC)[NH2+]C1CCN(C)CC1 ZINC000095421548 392242974 /nfs/dbraw/zinc/24/29/74/392242974.db2.gz SRQFZUWVOWMIPY-INIZCTEOSA-N 1 0 276.424 3.220 50 0 CGAARO CCOC(C[N@@H+]1CCC2(C1)CCCCC2)OCC ZINC000095941565 392244058 /nfs/dbraw/zinc/24/40/58/392244058.db2.gz DJRURPUUGYGCKT-UHFFFAOYSA-N 1 0 255.402 3.042 50 0 CGAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000262762697 131259357 /nfs/dbraw/zinc/25/93/57/131259357.db2.gz RDPGJYKMRPAPQD-CXAGYDPISA-N 1 0 297.402 3.024 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000216332494 392989272 /nfs/dbraw/zinc/98/92/72/392989272.db2.gz NSFNKJKDMCIFLI-BMFZPTHFSA-N 1 0 252.446 3.131 50 0 CGAARO CCC[C@@]1(CO)CC[N@H+](CCOc2cccc(CC)c2)C1 ZINC000585083935 542768987 /nfs/dbraw/zinc/76/89/87/542768987.db2.gz LDNUZYGRGTUHFE-GOSISDBHSA-N 1 0 291.435 3.112 50 0 CGAARO Cc1nccn1C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000670440458 543154790 /nfs/dbraw/zinc/15/47/90/543154790.db2.gz QVAUEQLKRQFIPI-INIZCTEOSA-N 1 0 295.430 3.071 50 0 CGAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670447789 543155842 /nfs/dbraw/zinc/15/58/42/543155842.db2.gz PQMQXUYCZIZANL-LLVKDONJSA-N 1 0 292.810 3.414 50 0 CGAARO Cc1cccc([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1 ZINC000670459561 543156446 /nfs/dbraw/zinc/15/64/46/543156446.db2.gz DXRHNGPHWLLNNZ-HNNXBMFYSA-N 1 0 255.365 3.098 50 0 CGAARO CC(C)N(C(=O)C[N@H+](C)[C@H]1CCc2ccccc21)C(C)C ZINC000040049898 397610523 /nfs/dbraw/zinc/61/05/23/397610523.db2.gz KEDHVAPQDUGUDD-KRWDZBQOSA-N 1 0 288.435 3.251 50 0 CGAARO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2CCOC2)cc1 ZINC000334449806 292225822 /nfs/dbraw/zinc/22/58/22/292225822.db2.gz QTRPCMJRZDMVFC-ZBFHGGJFSA-N 1 0 277.433 3.121 50 0 CGAARO CC[C@H](C)[NH2+]CCOc1ccc(Br)cc1 ZINC000002822495 169834718 /nfs/dbraw/zinc/83/47/18/169834718.db2.gz QOQZDQLSJNCRDV-JTQLQIEISA-N 1 0 272.186 3.216 50 0 CGAARO C[C@@H](O)C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004842614 170029024 /nfs/dbraw/zinc/02/90/24/170029024.db2.gz HECBAGJYBDITHX-SNVBAGLBSA-N 1 0 265.740 3.070 50 0 CGAARO O[C@H](COc1cccc2ccccc21)C[NH+]1CCCCC1 ZINC000004851838 170030649 /nfs/dbraw/zinc/03/06/49/170030649.db2.gz YIGFKEFULNCVMP-INIZCTEOSA-N 1 0 285.387 3.065 50 0 CGAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000004891773 170036979 /nfs/dbraw/zinc/03/69/79/170036979.db2.gz KJHFHAALQQNXMP-IRXDYDNUSA-N 1 0 272.392 3.258 50 0 CGAARO C[NH+](C)CCOc1ccc(Br)cc1Cl ZINC000004913239 170040482 /nfs/dbraw/zinc/04/04/82/170040482.db2.gz QWKRETJZRQERIO-UHFFFAOYSA-N 1 0 278.577 3.043 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(F)cc2)C1 ZINC000004912941 170040794 /nfs/dbraw/zinc/04/07/94/170040794.db2.gz FAGAYSIDJCCGET-STQMWFEESA-N 1 0 251.345 3.182 50 0 CGAARO CCCCCC[C@H](CC(=O)NCC[NH+](C)C)c1ccco1 ZINC000005345251 170088247 /nfs/dbraw/zinc/08/82/47/170088247.db2.gz XZZFJLRIFRSTJD-OAHLLOKOSA-N 1 0 294.439 3.402 50 0 CGAARO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006355857 170195305 /nfs/dbraw/zinc/19/53/05/170195305.db2.gz NVJLPVJXKVSZKM-CRAIPNDOSA-N 1 0 299.414 3.481 50 0 CGAARO CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1 ZINC000006728602 170234179 /nfs/dbraw/zinc/23/41/79/170234179.db2.gz UKEGEDWGWZEMPS-UHFFFAOYSA-N 1 0 285.387 3.426 50 0 CGAARO O=C(Nc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000006809383 170245696 /nfs/dbraw/zinc/24/56/96/170245696.db2.gz JJTYJFLQKPIFSL-UHFFFAOYSA-N 1 0 287.407 3.169 50 0 CGAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000007377715 170280964 /nfs/dbraw/zinc/28/09/64/170280964.db2.gz VKYXVTPOOSCWKC-NSHDSACASA-N 1 0 266.772 3.153 50 0 CGAARO C[C@H]1C(c2cccs2)[N+](=O)[C@](C)(c2ccccc2)N1O ZINC000007813401 170304058 /nfs/dbraw/zinc/30/40/58/170304058.db2.gz HVJKNDUEEXRYII-XHDPSFHLSA-N 1 0 288.372 3.014 50 0 CGAARO C[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1ccc(-n2ccnc2)cc1 ZINC000007985291 170312078 /nfs/dbraw/zinc/31/20/78/170312078.db2.gz GGYDZHXFRUGJTK-UNQWWWNPSA-N 1 0 279.387 3.488 50 0 CGAARO COCCn1c(C)cc(C[NH2+]Cc2ccc(C)cc2)c1C ZINC000008395473 170334737 /nfs/dbraw/zinc/33/47/37/170334737.db2.gz ZIPZFRMWZSUHSY-UHFFFAOYSA-N 1 0 286.419 3.350 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)CC2CC2)ccc1Cl ZINC000020388370 171177519 /nfs/dbraw/zinc/17/75/19/171177519.db2.gz DTVSXZBIZMYVOZ-OCCSQVGLSA-N 1 0 297.826 3.166 50 0 CGAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccnc1 ZINC000020534204 171240592 /nfs/dbraw/zinc/24/05/92/171240592.db2.gz XOWZXSYIUQTFPR-UHFFFAOYSA-N 1 0 296.349 3.243 50 0 CGAARO CCCCCC[NH2+]Cc1cc(OC)ccc1OC ZINC000021786870 171322675 /nfs/dbraw/zinc/32/26/75/171322675.db2.gz RLNACKQLFWHFBS-UHFFFAOYSA-N 1 0 251.370 3.374 50 0 CGAARO Clc1ccccc1[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022114669 171353174 /nfs/dbraw/zinc/35/31/74/171353174.db2.gz RLZPNIGECDMAJH-QGZVFWFLSA-N 1 0 286.806 3.335 50 0 CGAARO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035553095 172260248 /nfs/dbraw/zinc/26/02/48/172260248.db2.gz DCNHBMPRIJUYSR-LBPRGKRZSA-N 1 0 252.770 3.495 50 0 CGAARO c1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000037325808 173126790 /nfs/dbraw/zinc/12/67/90/173126790.db2.gz LJLURTMAKDPIBA-LJQANCHMSA-N 1 0 280.415 3.441 50 0 CGAARO CC(C)(C)c1cc(Cl)ccc1OCCCC[NH2+]CCN ZINC000039960849 174179616 /nfs/dbraw/zinc/17/96/16/174179616.db2.gz PDKKPWGNWYAFQV-UHFFFAOYSA-N 1 0 298.858 3.345 50 0 CGAARO CCOC(=O)C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000057541782 175598143 /nfs/dbraw/zinc/59/81/43/175598143.db2.gz DRBYREBQTXOEPR-SNVBAGLBSA-N 1 0 295.688 3.312 50 0 CGAARO Cc1ccc2cccc(OCC[NH2+][C@H]3CCSC3)c2n1 ZINC000065410237 175732577 /nfs/dbraw/zinc/73/25/77/175732577.db2.gz AVDMQQPREUOOJY-AWEZNQCLSA-N 1 0 288.416 3.017 50 0 CGAARO Cc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000071797314 176265221 /nfs/dbraw/zinc/26/52/21/176265221.db2.gz SHXNCGLJONAIIJ-INIZCTEOSA-N 1 0 255.365 3.066 50 0 CGAARO Cc1n[nH]cc1C[NH2+]CCc1ccccc1C(F)(F)F ZINC000071825254 176271862 /nfs/dbraw/zinc/27/18/62/176271862.db2.gz HQLBLFULHNGSOU-UHFFFAOYSA-N 1 0 283.297 3.069 50 0 CGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000072152236 176327352 /nfs/dbraw/zinc/32/73/52/176327352.db2.gz LQZLKHSJNJABKG-UHFFFAOYSA-N 1 0 294.398 3.204 50 0 CGAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000072309793 176366899 /nfs/dbraw/zinc/36/68/99/176366899.db2.gz NUSCTWWHYYBVJZ-OAHLLOKOSA-N 1 0 289.423 3.109 50 0 CGAARO Cc1cc(CN2CCCC[C@H]2CC[NH+](C)C)oc1C ZINC000072411357 176398440 /nfs/dbraw/zinc/39/84/40/176398440.db2.gz ZOYBSDVMGXJJCS-HNNXBMFYSA-N 1 0 264.413 3.203 50 0 CGAARO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1 ZINC000075103625 176659208 /nfs/dbraw/zinc/65/92/08/176659208.db2.gz GKNAPQWDKAXPHQ-UHFFFAOYSA-N 1 0 267.344 3.037 50 0 CGAARO COCCC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000077287741 177249261 /nfs/dbraw/zinc/24/92/61/177249261.db2.gz BUWWRHBVGTWKSK-CQSZACIVSA-N 1 0 295.398 3.473 50 0 CGAARO Clc1ccc(-n2cc(C[NH2+]Cc3cccnc3)cn2)cc1 ZINC000048680911 416458269 /nfs/dbraw/zinc/45/82/69/416458269.db2.gz WYRFTVYAJJTAFQ-UHFFFAOYSA-N 1 0 298.777 3.211 50 0 CGAARO COc1ccc([C@H](C[NH3+])c2c[nH]c3ccc(F)cc32)cc1 ZINC000091690243 260482197 /nfs/dbraw/zinc/48/21/97/260482197.db2.gz PPBRJIIAYAVXGH-HNNXBMFYSA-N 1 0 284.334 3.406 50 0 CGAARO CC(C)(C)c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042775339 273502855 /nfs/dbraw/zinc/50/28/55/273502855.db2.gz TZXULZYOKFHOFH-LLVKDONJSA-N 1 0 253.773 3.378 50 0 CGAARO CSC[C@H](C)[NH2+][C@@H](C)COc1c(C)cccc1C ZINC000020869149 274178020 /nfs/dbraw/zinc/17/80/20/274178020.db2.gz SCBFLUCRSJJJBR-KBPBESRZSA-N 1 0 267.438 3.412 50 0 CGAARO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000000127543 276055118 /nfs/dbraw/zinc/05/51/18/276055118.db2.gz DVUSRTQNSVGNMY-KRWDZBQOSA-N 1 0 291.435 3.282 50 0 CGAARO CCC(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000065515466 276204454 /nfs/dbraw/zinc/20/44/54/276204454.db2.gz WCOTXSYDVSIPJP-GFCCVEGCSA-N 1 0 260.381 3.395 50 0 CGAARO CC[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000095967336 276575259 /nfs/dbraw/zinc/57/52/59/276575259.db2.gz OPVGLHVCUXPAHW-MRXNPFEDSA-N 1 0 289.419 3.283 50 0 CGAARO COc1ccc(Br)cc1[C@@H]1CCCC[NH2+]1 ZINC000002582640 277870052 /nfs/dbraw/zinc/87/00/52/277870052.db2.gz BJLLFGJZHAQELM-NSHDSACASA-N 1 0 270.170 3.272 50 0 CGAARO C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCC1 ZINC000003900115 278133371 /nfs/dbraw/zinc/13/33/71/278133371.db2.gz PZOZCKFFWMPIMK-JISDDCRVSA-N 1 0 261.409 3.256 50 0 CGAARO C[C@@H](N[C@@H](C)c1ccccn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096500632 278365323 /nfs/dbraw/zinc/36/53/23/278365323.db2.gz PZUJCWBWZXOFPA-OWCLPIDISA-N 1 0 287.451 3.385 50 0 CGAARO [NH3+][C@H]1CCC[C@H](c2nc(C3CCCCCC3)no2)C1 ZINC000087945562 279689074 /nfs/dbraw/zinc/68/90/74/279689074.db2.gz RFIBPDJUEYYACE-STQMWFEESA-N 1 0 263.385 3.492 50 0 CGAARO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130061905 280345547 /nfs/dbraw/zinc/34/55/47/280345547.db2.gz VSIOLDPGBPSORY-SDDRHHMPSA-N 1 0 267.335 3.104 50 0 CGAARO 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200102340 /nfs/dbraw/zinc/10/23/40/200102340.db2.gz CUVLBEHHUBOABO-OPRDCNLKSA-N 1 0 278.381 3.127 50 0 CGAARO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1=CCCCC1 ZINC000299795386 200877680 /nfs/dbraw/zinc/87/76/80/200877680.db2.gz KSQXNFMGWZSRCU-CQSZACIVSA-N 1 0 286.419 3.367 50 0 CGAARO C[C@H](CCc1cccc(F)c1)[N@H+](C)Cc1cnccn1 ZINC000183202503 189349564 /nfs/dbraw/zinc/34/95/64/189349564.db2.gz DKRSZHDOYDCDSH-CYBMUJFWSA-N 1 0 273.355 3.069 50 0 CGAARO Cc1ccc(CC[NH2+]C[C@@H](C)c2ccccc2)cn1 ZINC000194449335 189661320 /nfs/dbraw/zinc/66/13/20/189661320.db2.gz YELMBBMLJYGDSN-CQSZACIVSA-N 1 0 254.377 3.326 50 0 CGAARO CN1CCC([N@H+](C)Cc2cccc3ccccc32)CC1 ZINC000000236337 368321948 /nfs/dbraw/zinc/32/19/48/368321948.db2.gz MSCJNBMJTVBKDO-UHFFFAOYSA-N 1 0 268.404 3.366 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000000241723 368323280 /nfs/dbraw/zinc/32/32/80/368323280.db2.gz OPLBNBRHSIQTKU-CYBMUJFWSA-N 1 0 281.783 3.115 50 0 CGAARO CC[C@@]1(C)C[C@](CC[NH3+])(c2ccc(F)cc2)CCO1 ZINC000000183695 368310400 /nfs/dbraw/zinc/31/04/00/368310400.db2.gz WSQUNCWRXSQNNW-JKSUJKDBSA-N 1 0 265.372 3.391 50 0 CGAARO Cc1ccc(C(C)C)c(OC(=O)N(C)C)c1C[NH+](C)C ZINC000000187952 368312069 /nfs/dbraw/zinc/31/20/69/368312069.db2.gz DESIXSTWARSRIG-UHFFFAOYSA-N 1 0 278.396 3.240 50 0 CGAARO CCOC(=O)c1cc2ccccc2n1CC[NH+](CC)CC ZINC000000403687 368358886 /nfs/dbraw/zinc/35/88/86/368358886.db2.gz PLABEFFARHTPDR-UHFFFAOYSA-N 1 0 288.391 3.160 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@@H](C)C2)c(OC)c1C ZINC000000757372 368393633 /nfs/dbraw/zinc/39/36/33/368393633.db2.gz CPZRJBXSFFVIST-GFCCVEGCSA-N 1 0 263.381 3.244 50 0 CGAARO COc1ccc2c(C[NH+]3CCC(C)CC3)cc(=O)oc2c1 ZINC000002159892 368446964 /nfs/dbraw/zinc/44/69/64/368446964.db2.gz RRWGWDIRCQMTMI-UHFFFAOYSA-N 1 0 287.359 3.034 50 0 biogenic CGAARO C[NH+](C)CCCOC(=O)c1ccc(Cl)cc1Cl ZINC000001844432 368440643 /nfs/dbraw/zinc/44/06/43/368440643.db2.gz IKCXXICLZZLTHY-UHFFFAOYSA-N 1 0 276.163 3.102 50 0 CGAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000002657946 368472376 /nfs/dbraw/zinc/47/23/76/368472376.db2.gz STAFVYCBOLYFHT-INIZCTEOSA-N 1 0 291.435 3.128 50 0 CGAARO CC[NH+](CC)CCOc1ncnc2c3ccccc3oc21 ZINC000002342119 368452096 /nfs/dbraw/zinc/45/20/96/368452096.db2.gz NMOQFBBKVZLSIJ-UHFFFAOYSA-N 1 0 285.347 3.097 50 0 CGAARO C[C@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccccc1 ZINC000002388853 368454256 /nfs/dbraw/zinc/45/42/56/368454256.db2.gz HHRYGVBUJSCNED-HNNXBMFYSA-N 1 0 283.371 3.471 50 0 CGAARO Oc1cc2c(cc1Cl)CC[NH2+]C[C@H]2c1ccccc1 ZINC000002516058 368459005 /nfs/dbraw/zinc/45/90/05/368459005.db2.gz ZVKJSJAERRMBMR-AWEZNQCLSA-N 1 0 273.763 3.323 50 0 in-vivo CGAARO COc1ccc(CC[NH2+]Cc2ccccc2OC)cc1 ZINC000002573286 368466032 /nfs/dbraw/zinc/46/60/32/368466032.db2.gz CGWKVNLHCUMYNN-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000003323351 368501447 /nfs/dbraw/zinc/50/14/47/368501447.db2.gz LDZFIEJVHXFMQN-DZGCQCFKSA-N 1 0 279.424 3.112 50 0 CGAARO C[C@@H](O)C[NH2+]CCCOc1ccc2ccccc2c1Cl ZINC000002881655 368483599 /nfs/dbraw/zinc/48/35/99/368483599.db2.gz CHCCNUBWGGOQAJ-GFCCVEGCSA-N 1 0 293.794 3.233 50 0 CGAARO Cc1cc(C)c(C)c(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000002975057 368487107 /nfs/dbraw/zinc/48/71/07/368487107.db2.gz SUWVJDCGHUQWOG-UHFFFAOYSA-N 1 0 279.424 3.395 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000004135250 368532657 /nfs/dbraw/zinc/53/26/57/368532657.db2.gz VRDRSBLNJHENCL-QAPCUYQASA-N 1 0 299.414 3.454 50 0 CGAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2ccccc2c1 ZINC000046995297 284062211 /nfs/dbraw/zinc/06/22/11/284062211.db2.gz KQNKONMOCCQGRV-QZTJIDSGSA-N 1 0 294.398 3.196 50 0 CGAARO C[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000004657475 368554554 /nfs/dbraw/zinc/55/45/54/368554554.db2.gz MIKBBCQZKKHJSS-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO Cc1ccc(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000007811610 368571963 /nfs/dbraw/zinc/57/19/63/368571963.db2.gz PENUHVRODHXGRI-KBPBESRZSA-N 1 0 274.408 3.220 50 0 CGAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000010464454 368582375 /nfs/dbraw/zinc/58/23/75/368582375.db2.gz PIPYBIUMIDKIBB-UHFFFAOYSA-N 1 0 293.798 3.088 50 0 CGAARO CC(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)[NH+](C)C ZINC000012223546 368606742 /nfs/dbraw/zinc/60/67/42/368606742.db2.gz KLZGSFQMKREQMW-ZDUSSCGKSA-N 1 0 283.803 3.048 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000012438305 368613055 /nfs/dbraw/zinc/61/30/55/368613055.db2.gz ABLQPKMXLOVVBU-HZSPNIEDSA-N 1 0 297.826 3.058 50 0 CGAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000012414207 368613214 /nfs/dbraw/zinc/61/32/14/368613214.db2.gz WQOZKGHCJGQRLQ-QLFBSQMISA-N 1 0 285.472 3.357 50 0 CGAARO CCCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012712942 368623627 /nfs/dbraw/zinc/62/36/27/368623627.db2.gz HEFHRXDVSPGTJC-AWEZNQCLSA-N 1 0 266.429 3.090 50 0 CGAARO FC(F)(F)Oc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000012925402 368634296 /nfs/dbraw/zinc/63/42/96/368634296.db2.gz QUHXYFMXCQWFRV-UHFFFAOYSA-N 1 0 271.238 3.468 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1Cl ZINC000014197753 368677890 /nfs/dbraw/zinc/67/78/90/368677890.db2.gz YXFYWKWTXNRGBW-LLVKDONJSA-N 1 0 288.778 3.290 50 0 CGAARO c1ccc(COc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000014632227 368683787 /nfs/dbraw/zinc/68/37/87/368683787.db2.gz ZTKMKAZVKLSCPJ-QGZVFWFLSA-N 1 0 269.344 3.006 50 0 CGAARO c1cc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000014988133 368687139 /nfs/dbraw/zinc/68/71/39/368687139.db2.gz ROINZHMOVOIJGC-UHFFFAOYSA-N 1 0 280.327 3.186 50 0 CGAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccccc1 ZINC000018174897 368739931 /nfs/dbraw/zinc/73/99/31/368739931.db2.gz NUKVRVQFMPSEIC-UHFFFAOYSA-N 1 0 283.375 3.070 50 0 CGAARO Cc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)nn1C ZINC000019147637 368744665 /nfs/dbraw/zinc/74/46/65/368744665.db2.gz ZRUDRADAHSSOFA-UHFFFAOYSA-N 1 0 283.419 3.183 50 0 CGAARO CCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027989157 368879575 /nfs/dbraw/zinc/87/95/75/368879575.db2.gz ODFVNQUJIJKMHD-MRXNPFEDSA-N 1 0 274.408 3.048 50 0 CGAARO CC(C)=CCC/C(C)=C/C[NH2+]CC1(CO)CCC1 ZINC000032580877 368936774 /nfs/dbraw/zinc/93/67/74/368936774.db2.gz LPUIDAKJDPPQHY-OVCLIPMQSA-N 1 0 251.414 3.431 50 0 CGAARO CN(C(=O)c1cc2ccccc2s1)C1CC[NH+](C)CC1 ZINC000032736100 368942564 /nfs/dbraw/zinc/94/25/64/368942564.db2.gz FWOIDIMGKUUQCU-UHFFFAOYSA-N 1 0 288.416 3.068 50 0 CGAARO C[N@H+](Cn1c2cc(Cl)ccc2oc1=O)C1CCCC1 ZINC000032776696 368944053 /nfs/dbraw/zinc/94/40/53/368944053.db2.gz PWVATYFNIRXBJX-UHFFFAOYSA-N 1 0 280.755 3.080 50 0 CGAARO CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000036091071 369006900 /nfs/dbraw/zinc/00/69/00/369006900.db2.gz JWUVXKQCYZDGAY-INIZCTEOSA-N 1 0 276.424 3.150 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097748 369009454 /nfs/dbraw/zinc/00/94/54/369009454.db2.gz SVAVLMQWJIUPBU-HIFRSBDPSA-N 1 0 297.439 3.365 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccsc1 ZINC000036281411 369015685 /nfs/dbraw/zinc/01/56/85/369015685.db2.gz OLYWFTXPGQCNGM-UHFFFAOYSA-N 1 0 274.389 3.039 50 0 CGAARO Cc1cc(C)c(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042774958 369232610 /nfs/dbraw/zinc/23/26/10/369232610.db2.gz XPKNDQIBDZRFHM-GFCCVEGCSA-N 1 0 253.773 3.335 50 0 CGAARO Fc1ccc([C@@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000042817191 369234588 /nfs/dbraw/zinc/23/45/88/369234588.db2.gz OOXWLFPYKSAAJW-HOTGVXAUSA-N 1 0 263.356 3.436 50 0 CGAARO Brc1cccc(COCCC2CC[NH2+]CC2)c1 ZINC000042773859 369231982 /nfs/dbraw/zinc/23/19/82/369231982.db2.gz NYYXWEGKMSGDAW-UHFFFAOYSA-N 1 0 298.224 3.355 50 0 CGAARO Cc1cccc(C)c1NC(=O)CC12CCC[NH+]1CCC2 ZINC000049925459 369422644 /nfs/dbraw/zinc/42/26/44/369422644.db2.gz BCQTVJKBTWGHCX-UHFFFAOYSA-N 1 0 272.392 3.260 50 0 world CGAARO COc1ccc(-c2nc3c(s2)[C@@H]([NH3+])CCC3)cc1 ZINC000050329839 369435962 /nfs/dbraw/zinc/43/59/62/369435962.db2.gz VLWOIPRIEFHMTF-NSHDSACASA-N 1 0 260.362 3.155 50 0 CGAARO COc1ccccc1-c1csc([C@@H]2CCC[NH2+]C2)n1 ZINC000053252200 369481669 /nfs/dbraw/zinc/48/16/69/369481669.db2.gz ZJQMZKVTGYPIHR-LLVKDONJSA-N 1 0 274.389 3.286 50 0 CGAARO CC[NH+](CC)CCNC(=O)CCc1ccc(C)c(Cl)c1 ZINC000053675199 369487807 /nfs/dbraw/zinc/48/78/07/369487807.db2.gz PNTMUIOGCGDMMT-UHFFFAOYSA-N 1 0 296.842 3.039 50 0 CGAARO Cc1noc(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000053641598 369487940 /nfs/dbraw/zinc/48/79/40/369487940.db2.gz BKNOBMRZWCMWJR-UHFFFAOYSA-N 1 0 291.782 3.411 50 0 CGAARO CCc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)nc1 ZINC000055099008 369511084 /nfs/dbraw/zinc/51/10/84/369511084.db2.gz UWBLZLPMDZZIHB-MRXNPFEDSA-N 1 0 298.430 3.275 50 0 CGAARO CCCC[NH+]1CCC(Cc2nncn2-c2ccccc2)CC1 ZINC000055254829 369513320 /nfs/dbraw/zinc/51/33/20/369513320.db2.gz CBDAIIUYEHIJHF-UHFFFAOYSA-N 1 0 298.434 3.322 50 0 CGAARO c1cc(C[N@H+](Cc2cccnc2)C[C@H]2CCOC2)cs1 ZINC000055343104 369515357 /nfs/dbraw/zinc/51/53/57/369515357.db2.gz HAUNYQXLOZOHHF-OAHLLOKOSA-N 1 0 288.416 3.182 50 0 CGAARO Fc1ccc(N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000055543154 369518510 /nfs/dbraw/zinc/51/85/10/369518510.db2.gz WRHLCVDDLDKASN-UHFFFAOYSA-N 1 0 276.380 3.209 50 0 CGAARO COC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000056908395 369529984 /nfs/dbraw/zinc/52/99/84/369529984.db2.gz KZTNCBPEHXPUTO-LBPRGKRZSA-N 1 0 253.773 3.198 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2F)C1 ZINC000058168609 369557164 /nfs/dbraw/zinc/55/71/64/369557164.db2.gz YKKKQWUPUOQTSB-ZDUSSCGKSA-N 1 0 293.386 3.068 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1OC ZINC000061588900 369602920 /nfs/dbraw/zinc/60/29/20/369602920.db2.gz NEOJSELXGNQOEK-AAEUAGOBSA-N 1 0 281.421 3.250 50 0 CGAARO C[C@H](CC(F)(F)F)[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000065371946 369669713 /nfs/dbraw/zinc/66/97/13/369669713.db2.gz MIORVDZESQHQKC-GFCCVEGCSA-N 1 0 297.324 3.345 50 0 CGAARO Cc1nnsc1C[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000065499349 369678651 /nfs/dbraw/zinc/67/86/51/369678651.db2.gz WIQQAQLYGBLHEB-GFCCVEGCSA-N 1 0 275.421 3.472 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000065475258 369679723 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ZINC000076074948 369928774 /nfs/dbraw/zinc/92/87/74/369928774.db2.gz HYZIEAALPLEDQV-MSOLQXFVSA-N 1 0 282.387 3.170 50 0 CGAARO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccnc1)c1ccccc1 ZINC000076074939 369928804 /nfs/dbraw/zinc/92/88/04/369928804.db2.gz HYZIEAALPLEDQV-ROUUACIJSA-N 1 0 282.387 3.170 50 0 CGAARO Clc1cccc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000077471909 369946741 /nfs/dbraw/zinc/94/67/41/369946741.db2.gz HWNYDUNJXGBYMJ-UHFFFAOYSA-N 1 0 287.794 3.057 50 0 CGAARO CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000082046614 369998396 /nfs/dbraw/zinc/99/83/96/369998396.db2.gz NLCGGRDOWINSEJ-CYBMUJFWSA-N 1 0 296.798 3.221 50 0 CGAARO [NH3+][C@@H]1CCC[C@@H](c2nc(C3CCCCCC3)no2)C1 ZINC000087945564 370029616 /nfs/dbraw/zinc/02/96/16/370029616.db2.gz RFIBPDJUEYYACE-CHWSQXEVSA-N 1 0 263.385 3.492 50 0 CGAARO CC[NH+](CC)CCNCc1cccc(Cl)c1Cl ZINC000095098698 370176251 /nfs/dbraw/zinc/17/62/51/370176251.db2.gz UAXZEGGEVZBVPA-UHFFFAOYSA-N 1 0 275.223 3.425 50 0 CGAARO 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CC(C)CCN1CCCN(CC[NH+](C)C)c2ccccc21 ZINC000169759564 623055892 /nfs/dbraw/zinc/05/58/92/623055892.db2.gz IVWYOQFOIXUMNU-UHFFFAOYSA-N 1 0 289.467 3.311 50 0 CGAARO C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)C(C)(C)C(F)F ZINC000850422969 624195557 /nfs/dbraw/zinc/19/55/57/624195557.db2.gz JLGVLFBUVSHLRQ-LLVKDONJSA-N 1 0 294.349 3.037 50 0 CGAARO OCC[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccccc1 ZINC000863983430 629721564 /nfs/dbraw/zinc/72/15/64/629721564.db2.gz HTHGNKODLXWZRK-RANZSIQMSA-N 1 0 271.404 3.097 50 0 CGAARO Clc1ccccc1CSC1=NN/C(=C2/C=CC=[NH+]2)O1 ZINC000105270647 638169130 /nfs/dbraw/zinc/16/91/30/638169130.db2.gz CXEWIIRPRJLXKZ-VAWYXSNFSA-N 1 0 291.763 3.274 50 0 CGAARO Cc1c[nH+]ccc1N1CC[C@@H](COCc2ccccc2)C1 ZINC000191981395 640342494 /nfs/dbraw/zinc/34/24/94/640342494.db2.gz HYKWIWOOCGPCIM-QGZVFWFLSA-N 1 0 282.387 3.433 50 0 CGAARO CC(C)[C@H](CO)[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000032593247 798849400 /nfs/dbraw/zinc/84/94/00/798849400.db2.gz RMUYYGBRKXYDEH-RISCZKNCSA-N 1 0 289.341 3.243 50 0 CGAARO C[C@H](/C=C\c1cccs1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000952878082 800686253 /nfs/dbraw/zinc/68/62/53/800686253.db2.gz YTBKRCFRSOFTAY-DSYXLKISSA-N 1 0 293.432 3.425 50 0 CGAARO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)CC2)o1 ZINC000952880990 800687244 /nfs/dbraw/zinc/68/72/44/800687244.db2.gz FQVWIEFJHLWHIE-GXTWGEPZSA-N 1 0 286.379 3.104 50 0 CGAARO C[C@H](NC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000584907137 928166379 /nfs/dbraw/zinc/16/63/79/928166379.db2.gz YGFMNSGAXCMTMW-ZDUSSCGKSA-N 1 0 285.391 3.086 50 0 CGAARO Cc1ccnn1CC[N@H+](C)CCCSc1ccccc1 ZINC001506400730 937989664 /nfs/dbraw/zinc/98/96/64/937989664.db2.gz KZIFGYDFVVNLJN-UHFFFAOYSA-N 1 0 289.448 3.306 50 0 CGAARO C[N@H+](CCCn1ccnc1)Cc1cc2cc(F)ccc2[nH]1 ZINC001506409993 937989971 /nfs/dbraw/zinc/98/99/71/937989971.db2.gz BYDSQRGDAPTXOM-UHFFFAOYSA-N 1 0 286.354 3.026 50 0 CGAARO Cc1nnc(C[N@@H+](CCc2c[nH]c3ccccc23)C(C)C)o1 ZINC001529172325 938071321 /nfs/dbraw/zinc/07/13/21/938071321.db2.gz KEWHTQFQRPOGAG-UHFFFAOYSA-N 1 0 298.390 3.312 50 0 CGAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000096478526 230380172 /nfs/dbraw/zinc/38/01/72/230380172.db2.gz KYXIBOYOMUWZGD-NEPJUHHUSA-N 1 0 289.398 3.458 50 0 CGAARO c1c2ccccc2oc1[C@H]([NH2+][C@@H]1CCOC1)C1CC1 ZINC000097016916 230386359 /nfs/dbraw/zinc/38/63/59/230386359.db2.gz DGGZQAJMRKZKSN-CZUORRHYSA-N 1 0 257.333 3.262 50 0 CGAARO CCCNC(=O)C1([NH2+]Cc2ccccc2C)CCCCC1 ZINC000095964208 185045022 /nfs/dbraw/zinc/04/50/22/185045022.db2.gz YCHUIQKGBIFDIG-UHFFFAOYSA-N 1 0 288.435 3.314 50 0 CGAARO CCC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccn1 ZINC000095974231 185050005 /nfs/dbraw/zinc/05/00/05/185050005.db2.gz VKUNOHLYEAHMJT-UXLLHSPISA-N 1 0 273.424 3.139 50 0 CGAARO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(O)CC1 ZINC000096004845 185063118 /nfs/dbraw/zinc/06/31/18/185063118.db2.gz WJEKZCVUJZIXOE-UHFFFAOYSA-N 1 0 297.398 3.319 50 0 CGAARO Cc1ccc(C[NH2+]C[C@H]2CCCO2)c(Br)c1 ZINC000125918133 187204529 /nfs/dbraw/zinc/20/45/29/187204529.db2.gz IZYAYNHASGGCAC-GFCCVEGCSA-N 1 0 284.197 3.026 50 0 CGAARO Cc1cccc(OCCOCC[NH+]2CCCCC2)c1C ZINC000016667054 344886942 /nfs/dbraw/zinc/88/69/42/344886942.db2.gz NIGNQCKWGHMJJC-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO Cc1ccoc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740841 344898481 /nfs/dbraw/zinc/89/84/81/344898481.db2.gz JPZPSKLBYGVTFQ-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)s1 ZINC000066945356 345310377 /nfs/dbraw/zinc/31/03/77/345310377.db2.gz ONSQRPKYPVTRQN-CQSZACIVSA-N 1 0 292.448 3.065 50 0 CGAARO CCOC(=O)[C@@]1(c2ccccc2)CCC=C(C)[C@H]1[NH+](C)C ZINC000096028034 345901971 /nfs/dbraw/zinc/90/19/71/345901971.db2.gz ACMGZYOBXCPVDH-SJLPKXTDSA-N 1 0 287.403 3.158 50 0 CGAARO O=C(O[C@@H]1CCN(CCF)C1)c1ccc2ccccc2c1 ZINC000170617266 346195413 /nfs/dbraw/zinc/19/54/13/346195413.db2.gz SXJMNJQVUDUZFB-MRXNPFEDSA-N 1 0 287.334 3.040 50 0 CGAARO COC[C@](C)([NH2+]Cc1cncc(C)c1)c1ccccc1 ZINC000190001400 346263763 /nfs/dbraw/zinc/26/37/63/346263763.db2.gz DFCPPABJFHXPID-KRWDZBQOSA-N 1 0 270.376 3.041 50 0 CGAARO Cc1noc(C)c1CCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000225668111 346304701 /nfs/dbraw/zinc/30/47/01/346304701.db2.gz WXCNKUVIJWPEFW-LLVKDONJSA-N 1 0 274.364 3.280 50 0 CGAARO Cc1cccc(C[n+]2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000230519281 346321196 /nfs/dbraw/zinc/32/11/96/346321196.db2.gz KETUDBNDMGORLX-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000584889592 346722106 /nfs/dbraw/zinc/72/21/06/346722106.db2.gz DDQFOGLNKDKDQA-CYBMUJFWSA-N 1 0 299.418 3.018 50 0 CGAARO O=C(OCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000090624502 180014956 /nfs/dbraw/zinc/01/49/56/180014956.db2.gz LUEPOWKKYXJBSY-GOSISDBHSA-N 1 0 295.382 3.252 50 0 CGAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](CCc2ccccn2)C1 ZINC000091381669 180143861 /nfs/dbraw/zinc/14/38/61/180143861.db2.gz YYGBYVPRTTYMTD-SFHVURJKSA-N 1 0 288.435 3.055 50 0 CGAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000091997241 180302978 /nfs/dbraw/zinc/30/29/78/180302978.db2.gz YLURWNWJRXFHPT-MRXNPFEDSA-N 1 0 299.418 3.291 50 0 CGAARO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2csc(C)n2)C1 ZINC000107145140 186160814 /nfs/dbraw/zinc/16/08/14/186160814.db2.gz MXDFCPMFTORGAW-VXGBXAGGSA-N 1 0 256.440 3.167 50 0 CGAARO COc1cccc([C@@H](O)C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000131166166 187546415 /nfs/dbraw/zinc/54/64/15/187546415.db2.gz ZMMNFJLYRZATHY-KDOFPFPSSA-N 1 0 285.387 3.122 50 0 CGAARO Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]3CCO)cc2c1 ZINC000411654235 235073081 /nfs/dbraw/zinc/07/30/81/235073081.db2.gz XIAQNAZUSSTQOD-DOTOQJQBSA-N 1 0 284.403 3.184 50 0 CGAARO C[C@@H]1CC[N@H+](CCCn2ccnc2)[C@H](c2ccco2)C1 ZINC000183183346 189349359 /nfs/dbraw/zinc/34/93/59/189349359.db2.gz NUNDUXKGDUPTGV-CABCVRRESA-N 1 0 273.380 3.339 50 0 CGAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218910538 376191418 /nfs/dbraw/zinc/19/14/18/376191418.db2.gz AKUVIHRINPRMML-NTZNESFSSA-N 1 0 296.361 3.002 50 0 CGAARO CC1=C(CC[N@@H+]2CCC[C@@H]2CO)C(C)(C)CCC1 ZINC000000216714 368318216 /nfs/dbraw/zinc/31/82/16/368318216.db2.gz XLHIGVXKYDUBQV-CQSZACIVSA-N 1 0 251.414 3.360 50 0 CGAARO [NH2+]=c1ccn(Cc2ccc(Cl)cc2Cl)cc1 ZINC000000221944 368319409 /nfs/dbraw/zinc/31/94/09/368319409.db2.gz QLHAVMTYLGFGPT-UHFFFAOYSA-N 1 0 253.132 3.323 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1C1CCCC1 ZINC000000001898 368269403 /nfs/dbraw/zinc/26/94/03/368269403.db2.gz KQXKVJAGOJTNJS-HNNXBMFYSA-N 1 0 291.435 3.472 50 0 world CGAARO COc1cc(C[NH+]2CCCCCCC2)cc(OC)c1O ZINC000000241253 368322619 /nfs/dbraw/zinc/32/26/19/368322619.db2.gz GJDBORDVUDWGCC-UHFFFAOYSA-N 1 0 279.380 3.176 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000000182890 368310552 /nfs/dbraw/zinc/31/05/52/368310552.db2.gz XQVGEFBUWFDHKZ-DOMZBBRYSA-N 1 0 263.381 3.372 50 0 CGAARO COc1ccccc1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000000253992 368325367 /nfs/dbraw/zinc/32/53/67/368325367.db2.gz IPFUXRKOKQMRLZ-KBPBESRZSA-N 1 0 290.407 3.002 50 0 CGAARO Brc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000000299700 368335545 /nfs/dbraw/zinc/33/55/45/368335545.db2.gz LCAPOFSYBHMXQD-UHFFFAOYSA-N 1 0 277.165 3.134 50 0 CGAARO Cc1ccc2c(C[NH+]3CCCCC3)cc(=O)oc2c1 ZINC000002117742 368447573 /nfs/dbraw/zinc/44/75/73/368447573.db2.gz BBUNTGYDSHWDJU-UHFFFAOYSA-N 1 0 257.333 3.087 50 0 biogenic CGAARO Cc1cc(C)c2c(C[NH+]3CCCCC3)cc(=O)oc2c1 ZINC000002124885 368447896 /nfs/dbraw/zinc/44/78/96/368447896.db2.gz KWBKDGABLRPZFS-UHFFFAOYSA-N 1 0 271.360 3.396 50 0 biogenic CGAARO COc1cc(C[NH2+]CC[C@H]2CCOC(C)(C)C2)ccc1O ZINC000001807473 368439345 /nfs/dbraw/zinc/43/93/45/368439345.db2.gz APXAEPWNJJITRB-ZDUSSCGKSA-N 1 0 293.407 3.086 50 0 biogenic CGAARO Cc1cccc(CSc2nnc(CCCCC[NH3+])o2)c1 ZINC000001875959 368440771 /nfs/dbraw/zinc/44/07/71/368440771.db2.gz QNVHEVQTIYDOTL-UHFFFAOYSA-N 1 0 291.420 3.342 50 0 CGAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OC ZINC000002380259 368453126 /nfs/dbraw/zinc/45/31/26/368453126.db2.gz UBWMBZXSIBWFGW-UHFFFAOYSA-N 1 0 285.387 3.426 50 0 CGAARO Cc1ccc(C(C)(C)C)c(OCCOCC[NH+](C)C)c1 ZINC000002823700 368479170 /nfs/dbraw/zinc/47/91/70/368479170.db2.gz RXYUODBDKDKOQD-UHFFFAOYSA-N 1 0 279.424 3.250 50 0 CGAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH2+]C(C)C ZINC000002980648 368486914 /nfs/dbraw/zinc/48/69/14/368486914.db2.gz KDXBCNRNOLAPOI-UHFFFAOYSA-N 1 0 285.815 3.350 50 0 CGAARO COCC[NH2+]CCCOc1c(C)cccc1C(C)(C)C ZINC000003001746 368487816 /nfs/dbraw/zinc/48/78/16/368487816.db2.gz NKVBIKKHFPFYOQ-UHFFFAOYSA-N 1 0 279.424 3.297 50 0 CGAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1OC(=O)c1ccccc1Cl ZINC000003901930 368523688 /nfs/dbraw/zinc/52/36/88/368523688.db2.gz LGWYXROPIZJPDW-SUNKGSAMSA-N 1 0 281.783 3.226 50 0 CGAARO [NH3+]Cc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC000003936852 368524575 /nfs/dbraw/zinc/52/45/75/368524575.db2.gz YZZVIKDAOTXDEB-JTQLQIEISA-N 1 0 295.358 3.013 50 0 investigational CGAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000004117681 368532315 /nfs/dbraw/zinc/53/23/15/368532315.db2.gz YPPYOQYQJOKSGG-GUYCJALGSA-N 1 0 269.344 3.005 50 0 CGAARO C[C@@H](Cc1ccccc1[S@@](=O)c1ccccc1)[NH+](C)C ZINC000004146788 368533943 /nfs/dbraw/zinc/53/39/43/368533943.db2.gz FIQXYWPZJOQLQV-VBKZILBWSA-N 1 0 287.428 3.346 50 0 CGAARO OC[C@H]1CCCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000004838240 368558138 /nfs/dbraw/zinc/55/81/38/368558138.db2.gz UXHFDNCGYXGZOJ-GFCCVEGCSA-N 1 0 273.298 3.052 50 0 CGAARO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000004413604 368546131 /nfs/dbraw/zinc/54/61/31/368546131.db2.gz CFMYSTGMGCYQGF-UHFFFAOYSA-N 1 0 276.767 3.424 50 0 CGAARO Cc1ccc(-c2noc(C[NH2+]C3CCCCC3)n2)cc1 ZINC000004487194 368547636 /nfs/dbraw/zinc/54/76/36/368547636.db2.gz BORLWAZVLZUSAL-UHFFFAOYSA-N 1 0 271.364 3.467 50 0 CGAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N+]#N ZINC000004521467 368549690 /nfs/dbraw/zinc/54/96/90/368549690.db2.gz KBYWCGCRACQITA-UHFFFAOYSA-O 1 0 284.295 3.441 50 0 in-vitro CGAARO Oc1cccnc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000004559222 368550283 /nfs/dbraw/zinc/55/02/83/368550283.db2.gz MFTOSKRUKLPZDT-UHFFFAOYSA-N 1 0 266.344 3.077 50 0 CGAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000010340736 368580011 /nfs/dbraw/zinc/58/00/11/368580011.db2.gz UEDYDXJGEXYKCY-KRWDZBQOSA-N 1 0 280.371 3.123 50 0 CGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1C ZINC000010543002 368583899 /nfs/dbraw/zinc/58/38/99/368583899.db2.gz ZJXWZJBCCQEXAJ-MRXNPFEDSA-N 1 0 288.435 3.379 50 0 CGAARO C[C@H]1CN(C2CC[NH+](C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099445 368603740 /nfs/dbraw/zinc/60/37/40/368603740.db2.gz LGMIHWZHLJSBDB-LBPRGKRZSA-N 1 0 294.826 3.017 50 0 CGAARO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000012370484 368609575 /nfs/dbraw/zinc/60/95/75/368609575.db2.gz XQAJYHFQYZEWSE-UHFFFAOYSA-N 1 0 252.239 3.226 50 0 CGAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2)cc1OC ZINC000012383601 368610817 /nfs/dbraw/zinc/61/08/17/368610817.db2.gz UJBAPIYLPWNPGG-HNNXBMFYSA-N 1 0 299.414 3.467 50 0 CGAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccco2)cc1OC ZINC000012383607 368610870 /nfs/dbraw/zinc/61/08/70/368610870.db2.gz TXBKOBBGYWRGEG-LBPRGKRZSA-N 1 0 275.348 3.018 50 0 CGAARO CSc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000012902732 368633330 /nfs/dbraw/zinc/63/33/30/368633330.db2.gz UDCLJZFEPIZJNE-UHFFFAOYSA-N 1 0 292.448 3.011 50 0 CGAARO CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000015724232 368701643 /nfs/dbraw/zinc/70/16/43/368701643.db2.gz YPZWNJUKRILYCT-MAUKXSAKSA-N 1 0 299.414 3.340 50 0 CGAARO Cc1ccccc1[C@@H](C)[NH2+]Cc1cnc2ccccn12 ZINC000121817314 370898933 /nfs/dbraw/zinc/89/89/33/370898933.db2.gz ARYSQFIALFVZJX-CQSZACIVSA-N 1 0 265.360 3.494 50 0 CGAARO CC(C)c1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1 ZINC000017113691 368727471 /nfs/dbraw/zinc/72/74/71/368727471.db2.gz QNSBSCHYLDGUAS-MRXNPFEDSA-N 1 0 277.408 3.082 50 0 CGAARO CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000016663041 368719742 /nfs/dbraw/zinc/71/97/42/368719742.db2.gz UNOCIMASNUJPJX-UHFFFAOYSA-N 1 0 269.344 3.437 50 0 CGAARO Cc1cccc(OCCSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000014189221 368677019 /nfs/dbraw/zinc/67/70/19/368677019.db2.gz YAHGBFVTHNZBSN-GJZGRUSLSA-N 1 0 290.432 3.377 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000014988155 368688820 /nfs/dbraw/zinc/68/88/20/368688820.db2.gz SZBLRIXDRQFHHM-UHFFFAOYSA-N 1 0 266.344 3.466 50 0 CGAARO O[C@@H](C[NH2+]C1CCCC1)COc1cccc2ccccc21 ZINC000017201206 368729941 /nfs/dbraw/zinc/72/99/41/368729941.db2.gz XFGDOVZEPVVRGF-INIZCTEOSA-N 1 0 285.387 3.112 50 0 CGAARO CC[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccncc1 ZINC000019594977 368758393 /nfs/dbraw/zinc/75/83/93/368758393.db2.gz XXZTURWMDMNVQX-KRWDZBQOSA-N 1 0 297.402 3.024 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000125873096 370941770 /nfs/dbraw/zinc/94/17/70/370941770.db2.gz YSEJYDXQPIVVOE-RYUDHWBXSA-N 1 0 280.799 3.002 50 0 CGAARO CN(C)CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019809457 368768374 /nfs/dbraw/zinc/76/83/74/368768374.db2.gz UYQLMGALVYDSQL-GOSISDBHSA-N 1 0 268.404 3.122 50 0 CGAARO [NH3+]C1(C(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000019488509 368754027 /nfs/dbraw/zinc/75/40/27/368754027.db2.gz YQJRKIOZFZGTHQ-UHFFFAOYSA-N 1 0 297.196 3.049 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CC[C@H](C)C2)cc1OC ZINC000023280195 368818996 /nfs/dbraw/zinc/81/89/96/368818996.db2.gz JJZJQWLRGRNPLB-JSGCOSHPSA-N 1 0 263.381 3.025 50 0 CGAARO Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000023652520 368822848 /nfs/dbraw/zinc/82/28/48/368822848.db2.gz MVSVWXZXRPWBTK-UHFFFAOYSA-N 1 0 282.387 3.023 50 0 CGAARO Brc1csc(C[NH2+]CCc2ccco2)c1 ZINC000023641847 368823261 /nfs/dbraw/zinc/82/32/61/368823261.db2.gz VGTNLJVAEHKSAH-UHFFFAOYSA-N 1 0 286.194 3.436 50 0 CGAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(F)c(F)c1 ZINC000024643164 368832567 /nfs/dbraw/zinc/83/25/67/368832567.db2.gz PFXJDPWFIKPTRB-UHFFFAOYSA-N 1 0 290.313 3.279 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000024839920 368835814 /nfs/dbraw/zinc/83/58/14/368835814.db2.gz YLKGRVFRTLULQX-UHFFFAOYSA-N 1 0 272.751 3.196 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000019908912 368779985 /nfs/dbraw/zinc/77/99/85/368779985.db2.gz 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BPIVYMDZQOLJQO-CYBMUJFWSA-N 1 0 267.376 3.488 50 0 CGAARO CCC(C)(C)[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000032753271 368942384 /nfs/dbraw/zinc/94/23/84/368942384.db2.gz PZDCLBNZBMEYHA-UHFFFAOYSA-N 1 0 263.316 3.154 50 0 CGAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036096901 369009574 /nfs/dbraw/zinc/00/95/74/369009574.db2.gz PJDZEFDKOJSNAL-RDJZCZTQSA-N 1 0 293.451 3.463 50 0 CGAARO CC[NH+](CC)CCNc1nc2cc(OC)ccc2s1 ZINC000036657651 369024675 /nfs/dbraw/zinc/02/46/75/369024675.db2.gz YAWIVICBQFRIDG-UHFFFAOYSA-N 1 0 279.409 3.059 50 0 CGAARO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037621674 369092939 /nfs/dbraw/zinc/09/29/39/369092939.db2.gz DEPBSPZANBXPOQ-YGRLFVJLSA-N 1 0 268.426 3.060 50 0 CGAARO CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000039975623 369152313 /nfs/dbraw/zinc/15/23/13/369152313.db2.gz UYOCXFLNXXFTNX-DLBZAZTESA-N 1 0 288.435 3.171 50 0 CGAARO c1cnc2c(c1)cccc2OCC[C@H]1CCC[NH2+]C1 ZINC000042773401 369232354 /nfs/dbraw/zinc/23/23/54/369232354.db2.gz XOEOKIRTLUPHKY-CYBMUJFWSA-N 1 0 256.349 3.003 50 0 CGAARO CC(C)(C)c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775373 369232553 /nfs/dbraw/zinc/23/25/53/369232553.db2.gz YVUYKWJXCMUXKE-LLVKDONJSA-N 1 0 253.773 3.378 50 0 CGAARO CCc1cc(OCC2CC[NH2+]CC2)ccc1Cl ZINC000042775825 369232579 /nfs/dbraw/zinc/23/25/79/369232579.db2.gz UYAYCJORLZGOCB-UHFFFAOYSA-N 1 0 253.773 3.281 50 0 CGAARO COc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770934 369231233 /nfs/dbraw/zinc/23/12/33/369231233.db2.gz YQBIBDCKIHVGPJ-NSHDSACASA-N 1 0 269.772 3.117 50 0 CGAARO COc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000048040632 369335549 /nfs/dbraw/zinc/33/55/49/369335549.db2.gz JRVIVMXXVVTZPK-UHFFFAOYSA-N 1 0 297.358 3.277 50 0 CGAARO Cc1cc(C)c(NC(=O)C[N@@H+](C)CC(C)C)c(C)c1 ZINC000048572322 369360196 /nfs/dbraw/zinc/36/01/96/369360196.db2.gz XVTCRBWFNPADOL-UHFFFAOYSA-N 1 0 262.397 3.138 50 0 CGAARO CC(C)C[NH+](Cc1nnc(-c2ccco2)o1)CC(C)C ZINC000052855926 369473735 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/nfs/dbraw/zinc/55/36/61/369553661.db2.gz JHPGPSJPGNDIDC-LLVKDONJSA-N 1 0 261.325 3.094 50 0 CGAARO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccccc1 ZINC000058180114 369556777 /nfs/dbraw/zinc/55/67/77/369556777.db2.gz UOLGLXRYRJPTMA-SNVBAGLBSA-N 1 0 263.772 3.233 50 0 CGAARO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC(C)C)cc1 ZINC000058162253 369557113 /nfs/dbraw/zinc/55/71/13/369557113.db2.gz AQSOJNGQJYYTIQ-INIZCTEOSA-N 1 0 290.407 3.144 50 0 CGAARO C[C@H](CCNC(=[NH2+])NCc1ccccc1)c1ccccc1 ZINC000058329388 369563603 /nfs/dbraw/zinc/56/36/03/369563603.db2.gz TZTADSIVYDTZDZ-OAHLLOKOSA-N 1 0 281.403 3.494 50 0 CGAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000058510067 369570414 /nfs/dbraw/zinc/57/04/14/369570414.db2.gz XLHRSIAQCNHEIG-UHFFFAOYSA-N 1 0 294.398 3.082 50 0 CGAARO CC(C)Oc1ccccc1CC[NH2+][C@H]1CCSC1 ZINC000065384399 369671586 /nfs/dbraw/zinc/67/15/86/369671586.db2.gz MUYQAKBBFLZUFT-AWEZNQCLSA-N 1 0 265.422 3.111 50 0 CGAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2cccs2)C1 ZINC000065396793 369672536 /nfs/dbraw/zinc/67/25/36/369672536.db2.gz DOWUFGIJFJKUBL-INIZCTEOSA-N 1 0 273.401 3.150 50 0 CGAARO CCc1nc(C)sc1C[NH2+][C@H](C)CC(C)(C)OC ZINC000065451224 369675301 /nfs/dbraw/zinc/67/53/01/369675301.db2.gz IKEHIOLCGZWJCR-SNVBAGLBSA-N 1 0 270.442 3.307 50 0 CGAARO CC[N@@H+](C/C(C)=C/c1ccco1)CC1CCOCC1 ZINC000065529216 369682090 /nfs/dbraw/zinc/68/20/90/369682090.db2.gz SSIBMUKVQBKFEF-SDNWHVSQSA-N 1 0 263.381 3.431 50 0 CGAARO CCC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000069092460 369753871 /nfs/dbraw/zinc/75/38/71/369753871.db2.gz HLZAWDORLVAGDS-SECBINFHSA-N 1 0 251.355 3.201 50 0 CGAARO C[C@H]([C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1)n1cccn1 ZINC000069368941 369757606 /nfs/dbraw/zinc/75/76/06/369757606.db2.gz QWOVXFZVHWCOLG-UONOGXRCSA-N 1 0 295.390 3.013 50 0 CGAARO CC(C)c1nc(CN[C@H]2CCCc3c2cnn3C)cs1 ZINC000069420531 369758978 /nfs/dbraw/zinc/75/89/78/369758978.db2.gz CBRVZTCLKIFAIH-ZDUSSCGKSA-N 1 0 290.436 3.167 50 0 CGAARO CC(C)=CC[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000069464155 369762159 /nfs/dbraw/zinc/76/21/59/369762159.db2.gz QBTHPYAIFVWQST-INIZCTEOSA-N 1 0 260.381 3.029 50 0 CGAARO Cc1nc(N(C)CC[N@H+](C)C2CCCC2)nc2ccccc12 ZINC000067673869 369724260 /nfs/dbraw/zinc/72/42/60/369724260.db2.gz ZBKCHIRKBFIGDT-UHFFFAOYSA-N 1 0 298.434 3.249 50 0 CGAARO C(=C/c1ccccc1)\c1csc(CN2CC[NH2+]CC2)c1 ZINC000067851126 369733573 /nfs/dbraw/zinc/73/35/73/369733573.db2.gz HDAPIMPRXACZAU-VOTSOKGWSA-N 1 0 284.428 3.324 50 0 CGAARO c1ccc(CC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000072801244 369839693 /nfs/dbraw/zinc/83/96/93/369839693.db2.gz KTLGSPYJQZAKQB-QGZVFWFLSA-N 1 0 259.393 3.120 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576220 369805322 /nfs/dbraw/zinc/80/53/22/369805322.db2.gz UZWUCKIEAYEOGT-AGIUHOORSA-N 1 0 294.826 3.377 50 0 CGAARO c1ccc(-c2ccc(-c3cccc4c3CC[NH2+]C4)nn2)cc1 ZINC000071768069 369810735 /nfs/dbraw/zinc/81/07/35/369810735.db2.gz GFKPQNHJAYVZKZ-UHFFFAOYSA-N 1 0 287.366 3.456 50 0 CGAARO Cc1ccccc1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000072429422 369819052 /nfs/dbraw/zinc/81/90/52/369819052.db2.gz MNEYRZZBKFQNMG-MRXNPFEDSA-N 1 0 269.392 3.108 50 0 CGAARO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000072995825 369847934 /nfs/dbraw/zinc/84/79/34/369847934.db2.gz RXPNXIBTFHWNMR-GFCCVEGCSA-N 1 0 278.421 3.079 50 0 CGAARO CN1CCc2c(c3cc(F)ccc3n2-c2cc[nH+]cc2)C1 ZINC000075567420 369913763 /nfs/dbraw/zinc/91/37/63/369913763.db2.gz RFCWQUIXKMFVLP-UHFFFAOYSA-N 1 0 281.334 3.153 50 0 CGAARO Cc1ccc([C@H]2CSCC[N@@H+]2CCc2ccncc2)o1 ZINC000076011894 369924615 /nfs/dbraw/zinc/92/46/15/369924615.db2.gz DTQXQRPACGGAGM-OAHLLOKOSA-N 1 0 288.416 3.316 50 0 CGAARO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000084697531 370014652 /nfs/dbraw/zinc/01/46/52/370014652.db2.gz XGZTXHQPHNAQAE-SNVBAGLBSA-N 1 0 263.366 3.030 50 0 CGAARO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C)c(OC)c1OC ZINC000088699319 370036922 /nfs/dbraw/zinc/03/69/22/370036922.db2.gz ONRRAXIXQAPASE-TZMCWYRMSA-N 1 0 293.407 3.033 50 0 CGAARO C[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)c2ccsc2S1 ZINC000089497022 370042380 /nfs/dbraw/zinc/04/23/80/370042380.db2.gz BZCUSSZUFLTGGY-GWCFXTLKSA-N 1 0 282.478 3.357 50 0 CGAARO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000089655993 370044856 /nfs/dbraw/zinc/04/48/56/370044856.db2.gz IIACMMJJGLWEQR-AWEZNQCLSA-N 1 0 296.374 3.362 50 0 CGAARO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000091440580 370074838 /nfs/dbraw/zinc/07/48/38/370074838.db2.gz NDKXBSLQJPRGFZ-GFCCVEGCSA-N 1 0 259.271 3.270 50 0 CGAARO CCCC1CCC(C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000089949972 370052577 /nfs/dbraw/zinc/05/25/77/370052577.db2.gz DKUQRYVNKYUDBN-QQFBHYJXSA-N 1 0 263.429 3.468 50 0 CGAARO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cs1 ZINC000090049643 370053401 /nfs/dbraw/zinc/05/34/01/370053401.db2.gz ZQCWKXJMOQHFCS-DCAQKATOSA-N 1 0 254.399 3.095 50 0 CGAARO CCOc1c(Cl)cc(C[NH2+]CCN(C)C)cc1Cl ZINC000095194423 370176158 /nfs/dbraw/zinc/17/61/58/370176158.db2.gz JJUKLCICPHQGKK-UHFFFAOYSA-N 1 0 291.222 3.043 50 0 CGAARO [NH3+]C1(CC(=O)N2CCC[C@H]2c2cccc(Cl)c2)CCC1 ZINC000094294625 370166417 /nfs/dbraw/zinc/16/64/17/370166417.db2.gz JINULFWTEAOPPW-AWEZNQCLSA-N 1 0 292.810 3.275 50 0 CGAARO CC(C)OC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000096443325 370211803 /nfs/dbraw/zinc/21/18/03/370211803.db2.gz RIJVEHYJRXTFKW-UHFFFAOYSA-N 1 0 276.424 3.142 50 0 CGAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1nccn1C(F)F ZINC000097098540 370224411 /nfs/dbraw/zinc/22/44/11/370224411.db2.gz FJIWBWQJRIOODX-NWDGAFQWSA-N 1 0 269.339 3.360 50 0 CGAARO CCN(Cc1ccccc1C)C(=O)C[NH+]1CCC(C)CC1 ZINC000097286766 370238073 /nfs/dbraw/zinc/23/80/73/370238073.db2.gz MFJCMDWDQXZIPZ-UHFFFAOYSA-N 1 0 288.435 3.075 50 0 CGAARO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)[C@H]1CCCO1 ZINC000097374172 370239398 /nfs/dbraw/zinc/23/93/98/370239398.db2.gz LHCKUCWQWUNERY-ZWNOBZJWSA-N 1 0 278.377 3.060 50 0 CGAARO CSc1c(F)cc(NC2CC[NH+](C)CC2)cc1F ZINC000097378084 370241200 /nfs/dbraw/zinc/24/12/00/370241200.db2.gz OWVNBJXKYIEKSK-UHFFFAOYSA-N 1 0 272.364 3.193 50 0 CGAARO C[C@H](O)C[C@H](C)C[NH2+]Cc1sccc1Br ZINC000097378300 370241209 /nfs/dbraw/zinc/24/12/09/370241209.db2.gz GIWIMLQHMVPQJN-IUCAKERBSA-N 1 0 292.242 3.007 50 0 CGAARO C[N@@H+](Cc1cc(C2CC2)on1)C[C@H]1CCOC(C)(C)C1 ZINC000097813728 370254495 /nfs/dbraw/zinc/25/44/95/370254495.db2.gz IVMKQBCRNKTIJQ-LBPRGKRZSA-N 1 0 278.396 3.189 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(Cl)c1 ZINC000097797300 370254531 /nfs/dbraw/zinc/25/45/31/370254531.db2.gz CYFOQNMYRIMESV-ZDUSSCGKSA-N 1 0 283.799 3.350 50 0 CGAARO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)c(-c2ccccc2)o1 ZINC000097572211 370247305 /nfs/dbraw/zinc/24/73/05/370247305.db2.gz QWQNMZBRJMDRTN-OAHLLOKOSA-N 1 0 298.386 3.031 50 0 CGAARO COc1ccc(C)cc1[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000095421671 370188332 /nfs/dbraw/zinc/18/83/32/370188332.db2.gz CKDMEGNXZXNFIY-AWEZNQCLSA-N 1 0 287.407 3.021 50 0 CGAARO COCCn1nc(C)c(C[NH2+][C@@H](C)c2cccs2)c1C ZINC000095420919 370188414 /nfs/dbraw/zinc/18/84/14/370188414.db2.gz DFZFTJJFYROFAC-LBPRGKRZSA-N 1 0 293.436 3.059 50 0 CGAARO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1c(F)cccc1F ZINC000095420746 370188669 /nfs/dbraw/zinc/18/86/69/370188669.db2.gz WYKMEPCYNYHVAS-NSHDSACASA-N 1 0 296.361 3.064 50 0 CGAARO Cc1ccc2oc(C(=O)N(CC[NH+](C)C)C(C)C)cc2c1 ZINC000095431792 370192253 /nfs/dbraw/zinc/19/22/53/370192253.db2.gz BCIJMHZPMCDDGE-UHFFFAOYSA-N 1 0 288.391 3.153 50 0 CGAARO CCn1cc(C[N@H+](C)C/C=C/c2ccc(OC)cc2)cn1 ZINC000097698808 370251770 /nfs/dbraw/zinc/25/17/70/370251770.db2.gz XWCHPVWSUKVTHA-AATRIKPKSA-N 1 0 285.391 3.057 50 0 CGAARO [NH3+][C@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000095835707 370201339 /nfs/dbraw/zinc/20/13/39/370201339.db2.gz PKUAXIJJZUGPIS-JTQLQIEISA-N 1 0 268.154 3.154 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2n1C ZINC000097711702 370251983 /nfs/dbraw/zinc/25/19/83/370251983.db2.gz IWADIFYPLGYLHY-HNNXBMFYSA-N 1 0 272.392 3.179 50 0 CGAARO Cc1cccc(N2CC[NH+](CCCc3ccncc3)CC2)c1 ZINC000096012911 370202355 /nfs/dbraw/zinc/20/23/55/370202355.db2.gz FMULPXVWQBAWKJ-UHFFFAOYSA-N 1 0 295.430 3.145 50 0 CGAARO CC1(C)CN(c2cc[nH+]c(CO)c2)C[C@@H]1c1ccccc1 ZINC000426474488 372159634 /nfs/dbraw/zinc/15/96/34/372159634.db2.gz YYIVGSZKUZCBAE-QGZVFWFLSA-N 1 0 282.387 3.204 50 0 CGAARO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161702905 372348073 /nfs/dbraw/zinc/34/80/73/372348073.db2.gz IJMPVBHJGLGVJY-ZWNOBZJWSA-N 1 0 298.789 3.141 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC=CC2)CC1 ZINC000167458982 372596440 /nfs/dbraw/zinc/59/64/40/372596440.db2.gz QMXAMOJZDATKKS-CQSZACIVSA-N 1 0 280.412 3.084 50 0 CGAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678060 372631224 /nfs/dbraw/zinc/63/12/24/372631224.db2.gz PJDZEFDKOJSNAL-NVXWUHKLSA-N 1 0 293.451 3.463 50 0 CGAARO O[C@H](c1ccccc1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000170088113 372634538 /nfs/dbraw/zinc/63/45/38/372634538.db2.gz GGCOLRVNUCERRM-ZWKOTPCHSA-N 1 0 289.419 3.001 50 0 CGAARO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(O)c2)C1 ZINC000170606870 372641750 /nfs/dbraw/zinc/64/17/50/372641750.db2.gz DVWLMVVZBFDJHT-CXAGYDPISA-N 1 0 268.360 3.370 50 0 CGAARO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCC1CCCC1 ZINC000170599150 372641859 /nfs/dbraw/zinc/64/18/59/372641859.db2.gz ZPNDNUKMGPIWRD-INIZCTEOSA-N 1 0 280.456 3.290 50 0 CGAARO CC[N@H+](C)C1(CNC(=O)Nc2ccccc2)CCCC1 ZINC000299784179 284332725 /nfs/dbraw/zinc/33/27/25/284332725.db2.gz WTBLTNMCUIZUNQ-UHFFFAOYSA-N 1 0 275.396 3.073 50 0 CGAARO CSCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000173561030 373157916 /nfs/dbraw/zinc/15/79/16/373157916.db2.gz CSLOYOCPICOEOH-MRXNPFEDSA-N 1 0 279.449 3.421 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(N)c2cc(C)ccc2n1 ZINC000299762074 373609195 /nfs/dbraw/zinc/60/91/95/373609195.db2.gz VLCNXJPDEKQEKE-ZDUSSCGKSA-N 1 0 284.407 3.285 50 0 CGAARO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)c1 ZINC000299781898 373612201 /nfs/dbraw/zinc/61/22/01/373612201.db2.gz VACPOBHRKPUIHP-AWEZNQCLSA-N 1 0 299.345 3.266 50 0 CGAARO c1nc(-c2ccccc2)[nH]c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000180026448 373954921 /nfs/dbraw/zinc/95/49/21/373954921.db2.gz LXQIOHCILLTGKQ-AWEZNQCLSA-N 1 0 297.402 3.078 50 0 CGAARO CS[C@H](C)c1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000078581038 541915728 /nfs/dbraw/zinc/91/57/28/541915728.db2.gz KZMSPHZGNDMVRT-GFCCVEGCSA-N 1 0 295.452 3.136 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H]2C[C@H]3CCCc4cccc2c43)CC1 ZINC000090974644 541965028 /nfs/dbraw/zinc/96/50/28/541965028.db2.gz YZWGFWZTMLVDSN-QAPCUYQASA-N 1 0 298.430 3.152 50 0 CGAARO CC[C@@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000192833234 375792279 /nfs/dbraw/zinc/79/22/79/375792279.db2.gz FGDMBEGHVYBYTC-LLVKDONJSA-N 1 0 269.335 3.047 50 0 CGAARO CC[NH2+]Cc1cc(-c2cc(Br)ccc2F)n[nH]1 ZINC000131063774 542067395 /nfs/dbraw/zinc/06/73/95/542067395.db2.gz WBURSAJGUGMNTR-UHFFFAOYSA-N 1 0 298.159 3.088 50 0 CGAARO Clc1cccc(Br)c1C[NH2+]C1CC1 ZINC000261493882 190039587 /nfs/dbraw/zinc/03/95/87/190039587.db2.gz LHHVIDJXAMBIIW-UHFFFAOYSA-N 1 0 260.562 3.355 50 0 CGAARO C=Cn1cc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cn1 ZINC000194412198 376001211 /nfs/dbraw/zinc/00/12/11/376001211.db2.gz FMYJMXDVRAXVIQ-HNNXBMFYSA-N 1 0 287.338 3.126 50 0 CGAARO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000194322368 375983694 /nfs/dbraw/zinc/98/36/94/375983694.db2.gz FLUOIMYXPSUFKP-SWLSCSKDSA-N 1 0 271.364 3.319 50 0 CGAARO Cc1ccc(C[N@@H+](C)C[C@]2(c3ccccc3)CCOC2)o1 ZINC000215240744 376147508 /nfs/dbraw/zinc/14/75/08/376147508.db2.gz IHGVNZMNPNCZGO-GOSISDBHSA-N 1 0 285.387 3.378 50 0 CGAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1cccc2c(C)cccc12 ZINC000215752955 376150421 /nfs/dbraw/zinc/15/04/21/376150421.db2.gz ONZHQZAMXABIIX-AWEZNQCLSA-N 1 0 284.403 3.105 50 0 CGAARO CCn1ccc2c1cccc2C[N@@H+]1C[C@H]2CC[C@@H]1CN(C)C2 ZINC000216178164 376159473 /nfs/dbraw/zinc/15/94/73/376159473.db2.gz BJNKUVJUITWNBE-DOTOQJQBSA-N 1 0 297.446 3.187 50 0 CGAARO O=C(OC/C=C\c1ccccc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000222337228 376233290 /nfs/dbraw/zinc/23/32/90/376233290.db2.gz QGXKAYRFAANWSU-SKHCZCESSA-N 1 0 285.387 3.117 50 0 CGAARO Cc1nc(C(C)(C)[NH2+]CCOCC(C)C)sc1C ZINC000225721852 376321748 /nfs/dbraw/zinc/32/17/48/376321748.db2.gz VUHGTTQIYBUYKN-UHFFFAOYSA-N 1 0 270.442 3.257 50 0 CGAARO CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000242038561 376780626 /nfs/dbraw/zinc/78/06/26/376780626.db2.gz VMEBZONBCVZZPH-ARFHVFGLSA-N 1 0 280.456 3.146 50 0 CGAARO CCc1ccc(C[N@H+](C)CCc2csc(C)n2)nc1 ZINC000244691567 376792923 /nfs/dbraw/zinc/79/29/23/376792923.db2.gz JFCJGQMGOSMYMG-UHFFFAOYSA-N 1 0 275.421 3.083 50 0 CGAARO CC1=CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000560533318 377166074 /nfs/dbraw/zinc/16/60/74/377166074.db2.gz BZXRFTDSLGRHTB-KBPBESRZSA-N 1 0 288.366 3.019 50 0 CGAARO CC[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CCOC1 ZINC000252481450 377627447 /nfs/dbraw/zinc/62/74/47/377627447.db2.gz CMKKKKOTUMFWEJ-CQSZACIVSA-N 1 0 258.365 3.026 50 0 CGAARO CC(C)C[C@@H](C)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000252482872 377628150 /nfs/dbraw/zinc/62/81/50/377628150.db2.gz DPMVNWGTYUBYMW-MRXNPFEDSA-N 1 0 294.483 3.393 50 0 CGAARO CN(Cc1cnc2ccccc2c1)C[C@H]1CCCC[N@@H+]1C ZINC000252485490 377628463 /nfs/dbraw/zinc/62/84/63/377628463.db2.gz GWNBAPLUMQUDBT-QGZVFWFLSA-N 1 0 283.419 3.151 50 0 CGAARO CCCn1ccc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)c1 ZINC000252488306 377631091 /nfs/dbraw/zinc/63/10/91/377631091.db2.gz IOUQWHJAMIYLRD-INIZCTEOSA-N 1 0 288.439 3.161 50 0 CGAARO OCC[NH2+][C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000252498961 377632830 /nfs/dbraw/zinc/63/28/30/377632830.db2.gz RRVYOLCXOWHIJH-GOSISDBHSA-N 1 0 296.345 3.045 50 0 CGAARO Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000252548834 377638765 /nfs/dbraw/zinc/63/87/65/377638765.db2.gz QMPGMNYEHWSANV-JSGCOSHPSA-N 1 0 277.437 3.020 50 0 CGAARO CC[C@H]([NH3+])C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000253433047 377693406 /nfs/dbraw/zinc/69/34/06/377693406.db2.gz RCDALRUBAOKBQU-YGRLFVJLSA-N 1 0 280.799 3.129 50 0 CGAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CCCc2occc21 ZINC000253354651 377684053 /nfs/dbraw/zinc/68/40/53/377684053.db2.gz FDXMKCXODCSMOY-KWCYVHTRSA-N 1 0 275.348 3.352 50 0 CGAARO CCCC[N@@H+]1CCc2nc(-c3ccccc3)[nH]c(=O)c2CC1 ZINC000257174140 377794006 /nfs/dbraw/zinc/79/40/06/377794006.db2.gz COVSIBWLXPIQDM-UHFFFAOYSA-N 1 0 297.402 3.050 50 0 CGAARO Fc1ccc([C@@H]2CCCC[N@@H+]2CCn2cccn2)cc1 ZINC000267642866 190343588 /nfs/dbraw/zinc/34/35/88/190343588.db2.gz JGZOFAQYUASXPL-INIZCTEOSA-N 1 0 273.355 3.249 50 0 CGAARO CCc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000172091 169563418 /nfs/dbraw/zinc/56/34/18/169563418.db2.gz IWOPODOWUMOAKZ-UHFFFAOYSA-N 1 0 269.344 3.268 50 0 CGAARO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[NH2+]C2 ZINC000071278723 285380524 /nfs/dbraw/zinc/38/05/24/285380524.db2.gz DNRKCSDMRXCHDF-UHFFFAOYSA-N 1 0 298.367 3.151 50 0 CGAARO C[C@H](O)C[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002879692 391915690 /nfs/dbraw/zinc/91/56/90/391915690.db2.gz INPHLPMLZBYOIG-LBPRGKRZSA-N 1 0 299.842 3.377 50 0 CGAARO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000013472065 391931709 /nfs/dbraw/zinc/93/17/09/391931709.db2.gz RZXNEAPKBXXMQP-UHFFFAOYSA-N 1 0 293.366 3.348 50 0 CGAARO CC1(C)[C@H](O)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC000038679939 391981780 /nfs/dbraw/zinc/98/17/80/391981780.db2.gz YRDDKKNUZORKDG-MRXNPFEDSA-N 1 0 267.372 3.231 50 0 CGAARO CCC[NH+](CCC)Cc1ccc(C(=O)N2CC=CC2)cc1 ZINC000065533937 392148446 /nfs/dbraw/zinc/14/84/46/392148446.db2.gz ORZLBEAUVMORMC-UHFFFAOYSA-N 1 0 286.419 3.321 50 0 CGAARO Cc1cc(N2CCC[C@@H](CCc3ccccc3)C2)nc(N)[nH+]1 ZINC000072481239 392206109 /nfs/dbraw/zinc/20/61/09/392206109.db2.gz QPLOYUPTZGQIAA-INIZCTEOSA-N 1 0 296.418 3.216 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000097159427 392259997 /nfs/dbraw/zinc/25/99/97/392259997.db2.gz ZJFLYRRTZJPSTN-UHFFFAOYSA-N 1 0 299.296 3.215 50 0 CGAARO CN(C)CC[NH2+][C@@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000299804087 392581069 /nfs/dbraw/zinc/58/10/69/392581069.db2.gz YDAVDXJOYCFEOX-GOSISDBHSA-N 1 0 296.414 3.328 50 0 CGAARO c1ccc2nc(N3CC[C@@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000341091153 285530033 /nfs/dbraw/zinc/53/00/33/285530033.db2.gz BREYYAPQUIWGHN-MRXNPFEDSA-N 1 0 281.403 3.299 50 0 CGAARO Cc1ncsc1C[N@@H+](C)Cc1ccccc1-n1cccn1 ZINC000670450305 543155510 /nfs/dbraw/zinc/15/55/10/543155510.db2.gz DRDCYEHLGCIKTA-UHFFFAOYSA-N 1 0 298.415 3.269 50 0 CGAARO [NH3+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000084191665 397641040 /nfs/dbraw/zinc/64/10/40/397641040.db2.gz FHPSYBNVOWYHSZ-LLVKDONJSA-N 1 0 258.134 3.388 50 0 CGAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(F)c1 ZINC000239328920 397668776 /nfs/dbraw/zinc/66/87/76/397668776.db2.gz JVHNIHNMWCWAFX-KBPBESRZSA-N 1 0 290.382 3.276 50 0 CGAARO Cc1nc(C)c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)s1 ZINC000075893137 165106164 /nfs/dbraw/zinc/10/61/64/165106164.db2.gz NDICNBIAONANRC-DTORHVGOSA-N 1 0 256.440 3.086 50 0 CGAARO C[C@@H](c1ccccc1[C@@H](O)c1ccccc1)[NH+](C)C ZINC000005008637 287152125 /nfs/dbraw/zinc/15/21/25/287152125.db2.gz LISUDWGNQOAYJR-GUYCJALGSA-N 1 0 255.361 3.391 50 0 CGAARO CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC000002639063 169817370 /nfs/dbraw/zinc/81/73/70/169817370.db2.gz CDXKPXGHEDYFBM-QGZVFWFLSA-N 1 0 291.435 3.469 50 0 CGAARO COc1ccc(OCCCC[NH2+]C(C)(C)C)cc1 ZINC000002900056 169843084 /nfs/dbraw/zinc/84/30/84/169843084.db2.gz DVPKBDWXHFPBLS-UHFFFAOYSA-N 1 0 251.370 3.242 50 0 CGAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccccc1Cl ZINC000003314836 169877769 /nfs/dbraw/zinc/87/77/69/169877769.db2.gz DMVBDORBPHQTFH-LLVKDONJSA-N 1 0 269.772 3.227 50 0 CGAARO CC(C)[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000003630928 169904914 /nfs/dbraw/zinc/90/49/14/169904914.db2.gz YBTGLLRMGKEQCC-KRWDZBQOSA-N 1 0 285.387 3.091 50 0 CGAARO C[NH+](C)CCSc1nc2cc(Cl)ccc2o1 ZINC000004740831 170008832 /nfs/dbraw/zinc/00/88/32/170008832.db2.gz XFZQXRKTDPUQHO-UHFFFAOYSA-N 1 0 256.758 3.135 50 0 CGAARO CCOC(=O)[C@@H](SCC[NH+](CC)CC)c1ccccc1 ZINC000004772931 170014784 /nfs/dbraw/zinc/01/47/84/170014784.db2.gz YKSFWHOBNLBTEL-HNNXBMFYSA-N 1 0 295.448 3.366 50 0 CGAARO CCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000004839544 170027176 /nfs/dbraw/zinc/02/71/76/170027176.db2.gz YAXVWQYVFKULTM-UHFFFAOYSA-N 1 0 272.186 3.347 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2ccccc2C=O)C1 ZINC000004841244 170027870 /nfs/dbraw/zinc/02/78/70/170027870.db2.gz IFEGIWXOPJRHIY-GASCZTMLSA-N 1 0 275.392 3.246 50 0 CGAARO CCOc1ccccc1OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004845365 170029759 /nfs/dbraw/zinc/02/97/59/170029759.db2.gz SXRFUISLTWIEON-GJZGRUSLSA-N 1 0 277.408 3.442 50 0 CGAARO CC1CCC([NH+]2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000004865591 170032833 /nfs/dbraw/zinc/03/28/33/170032833.db2.gz YRCMREUFLRMBLZ-UHFFFAOYSA-N 1 0 292.448 3.085 50 0 CGAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(OC)c1 ZINC000004891798 170036865 /nfs/dbraw/zinc/03/68/65/170036865.db2.gz QMFQFXLHURDMTG-UHFFFAOYSA-N 1 0 275.323 3.133 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000005968042 170164574 /nfs/dbraw/zinc/16/45/74/170164574.db2.gz PRYBYAYBIFXKDM-WMZOPIPTSA-N 1 0 299.414 3.394 50 0 CGAARO CCC[NH2+]Cc1ccc(Br)cc1OCC ZINC000006702705 170230131 /nfs/dbraw/zinc/23/01/31/170230131.db2.gz GFOFMPYNQIZZBN-UHFFFAOYSA-N 1 0 272.186 3.347 50 0 CGAARO CC[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000006702932 170230348 /nfs/dbraw/zinc/23/03/48/170230348.db2.gz RTCIRGMTXMSLQE-UHFFFAOYSA-N 1 0 292.604 3.399 50 0 CGAARO COCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006729017 170234333 /nfs/dbraw/zinc/23/43/33/170234333.db2.gz IPAZBZDUUDUCJZ-UHFFFAOYSA-N 1 0 271.360 3.002 50 0 CGAARO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2c1C ZINC000007007392 170261858 /nfs/dbraw/zinc/26/18/58/170261858.db2.gz KPDGQIGCTOXNMR-UHFFFAOYSA-N 1 0 299.418 3.000 50 0 CGAARO COc1ccc(C[n+]2ccc3c(c2)CCCC3)cc1F ZINC000007761665 170301011 /nfs/dbraw/zinc/30/10/11/170301011.db2.gz JWRRKSSJQOLDOB-UHFFFAOYSA-N 1 0 272.343 3.049 50 0 CGAARO Clc1ccc(Cl)c(OCC2CC[NH2+]CC2)c1 ZINC000014631419 170640549 /nfs/dbraw/zinc/64/05/49/170640549.db2.gz HWNALSNAIOVPMS-UHFFFAOYSA-N 1 0 260.164 3.372 50 0 CGAARO C[C@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000019606746 170829906 /nfs/dbraw/zinc/82/99/06/170829906.db2.gz OLKWDDWGFDGSJI-KBPBESRZSA-N 1 0 255.361 3.449 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCCC1)c1cccs1 ZINC000035132876 171998539 /nfs/dbraw/zinc/99/85/39/171998539.db2.gz NXLDDMTXCQKZDI-NEPJUHHUSA-N 1 0 280.437 3.236 50 0 CGAARO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000035253090 172082841 /nfs/dbraw/zinc/08/28/41/172082841.db2.gz IUQODQJTTNFVBT-NSHDSACASA-N 1 0 280.437 3.026 50 0 CGAARO Fc1ccccc1-c1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000035268959 172091695 /nfs/dbraw/zinc/09/16/95/172091695.db2.gz IKYOAMNPZFMUIH-UHFFFAOYSA-N 1 0 299.349 3.462 50 0 CGAARO [NH3+]CCCCSc1ccccc1Br ZINC000035722106 172377782 /nfs/dbraw/zinc/37/77/82/172377782.db2.gz RMEASPJCKBNAKY-UHFFFAOYSA-N 1 0 260.200 3.280 50 0 CGAARO c1ccc(COc2cccc3c2C=C[C@]2(CC[NH2+]C2)O3)cc1 ZINC000036141933 172465938 /nfs/dbraw/zinc/46/59/38/172465938.db2.gz XRDNLVQOGILELX-LJQANCHMSA-N 1 0 293.366 3.403 50 0 CGAARO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC000037166562 173000274 /nfs/dbraw/zinc/00/02/74/173000274.db2.gz HAYMDNTXIMJLOZ-HNNXBMFYSA-N 1 0 274.408 3.499 50 0 CGAARO CC(C)NC(=O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000037262853 173072528 /nfs/dbraw/zinc/07/25/28/173072528.db2.gz OKGLBPLVMYOODE-HNNXBMFYSA-N 1 0 280.437 3.094 50 0 CGAARO C[N@H+](CCc1ccncc1)Cc1ccc(Br)o1 ZINC000040513772 174306023 /nfs/dbraw/zinc/30/60/23/174306023.db2.gz COIYMKHGCASHOT-UHFFFAOYSA-N 1 0 295.180 3.112 50 0 CGAARO Brc1cccc(C[C@H]2CCCC[NH2+]2)c1 ZINC000041324140 174520720 /nfs/dbraw/zinc/52/07/20/174520720.db2.gz MFHJYWWTKDBKNH-GFCCVEGCSA-N 1 0 254.171 3.134 50 0 CGAARO c1ccc(C[C@H]2CCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000044714466 175236409 /nfs/dbraw/zinc/23/64/09/175236409.db2.gz OSSPKOJIZYMYGK-OAHLLOKOSA-N 1 0 283.375 3.154 50 0 CGAARO [NH3+]Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000045795953 175383930 /nfs/dbraw/zinc/38/39/30/175383930.db2.gz WBQGBSSBZMBRPO-UHFFFAOYSA-N 1 0 286.762 3.002 50 0 CGAARO C[C@H](CNC(=O)c1sc2ccccc2c1Cl)[NH+](C)C ZINC000046275367 175395557 /nfs/dbraw/zinc/39/55/57/175395557.db2.gz GVESXSAVWWILLL-SECBINFHSA-N 1 0 296.823 3.235 50 0 CGAARO C[C@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)N1CCCCC1 ZINC000046503656 175397622 /nfs/dbraw/zinc/39/76/22/175397622.db2.gz WBJJXBVZIBFNHG-CQSZACIVSA-N 1 0 292.398 3.221 50 0 CGAARO CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000049067322 175461429 /nfs/dbraw/zinc/46/14/29/175461429.db2.gz OGNHTLDQPREEPN-UHFFFAOYSA-N 1 0 296.798 3.162 50 0 CGAARO COc1ccccc1-c1csc(C2CC[NH2+]CC2)n1 ZINC000053252455 175546381 /nfs/dbraw/zinc/54/63/81/175546381.db2.gz OWRIBNXERSFIDU-UHFFFAOYSA-N 1 0 274.389 3.286 50 0 CGAARO CCCc1cn(C2CC[NH+](C[C@@H](C)CCC)CC2)nn1 ZINC000055392864 175577947 /nfs/dbraw/zinc/57/79/47/175577947.db2.gz MYJPIJWUVRCRRM-AWEZNQCLSA-N 1 0 278.444 3.304 50 0 CGAARO CCOc1ccc(-c2c[nH]c(C(C)(C)C[NH+](C)C)n2)cc1 ZINC000067713970 175786059 /nfs/dbraw/zinc/78/60/59/175786059.db2.gz PCUYLTCZFNQSOH-UHFFFAOYSA-N 1 0 287.407 3.315 50 0 CGAARO CC(C)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071499059 176192095 /nfs/dbraw/zinc/19/20/95/176192095.db2.gz IARUBDLNVSGERK-MRXNPFEDSA-N 1 0 269.392 3.454 50 0 CGAARO COCc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000071819598 176270732 /nfs/dbraw/zinc/27/07/32/176270732.db2.gz OMPGIMRPMLKOFU-UHFFFAOYSA-N 1 0 287.407 3.143 50 0 CGAARO c1ncn(C[C@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)n1 ZINC000071875100 176285024 /nfs/dbraw/zinc/28/50/24/176285024.db2.gz VWPVAXNWDSIRGT-YJBOKZPZSA-N 1 0 296.418 3.068 50 0 CGAARO CCC(CC)(CNC(C)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000071898105 176293111 /nfs/dbraw/zinc/29/31/11/176293111.db2.gz NXYFLNIAKPGHNZ-ZDUSSCGKSA-N 1 0 262.397 3.032 50 0 CGAARO COc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000072153812 176328063 /nfs/dbraw/zinc/32/80/63/176328063.db2.gz QJDVVPFISYKWAX-UHFFFAOYSA-N 1 0 298.386 3.134 50 0 CGAARO COc1ccccc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000072157715 176329544 /nfs/dbraw/zinc/32/95/44/176329544.db2.gz BABWGRVIQIOXLC-UHFFFAOYSA-N 1 0 298.386 3.134 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccc(Cl)s2)C1 ZINC000072172439 176333256 /nfs/dbraw/zinc/33/32/56/176333256.db2.gz YNRNJZKWALAKCL-LLVKDONJSA-N 1 0 284.856 3.460 50 0 CGAARO CC1(C)CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000072242412 176349179 /nfs/dbraw/zinc/34/91/79/176349179.db2.gz XENMCGAVJNIOIM-UHFFFAOYSA-N 1 0 286.419 3.297 50 0 CGAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000072280295 176358342 /nfs/dbraw/zinc/35/83/42/176358342.db2.gz FQWAZWNDWMUTKA-ZDUSSCGKSA-N 1 0 299.846 3.160 50 0 CGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000075133952 176664270 /nfs/dbraw/zinc/66/42/70/176664270.db2.gz UQEZSEGNFSITNS-GJZGRUSLSA-N 1 0 294.402 3.479 50 0 CGAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000077428768 177265924 /nfs/dbraw/zinc/26/59/24/177265924.db2.gz XFSMSUSAIUKRLZ-INIZCTEOSA-N 1 0 291.439 3.079 50 0 CGAARO Cc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)o1 ZINC000078553461 177353283 /nfs/dbraw/zinc/35/32/83/177353283.db2.gz FVPAIUJHVAMGEA-UHFFFAOYSA-N 1 0 267.275 3.479 50 0 CGAARO Cc1ccc(O)c(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000112716542 416497798 /nfs/dbraw/zinc/49/77/98/416497798.db2.gz HGBQRXODPKZVMA-MNOVXSKESA-N 1 0 288.313 3.306 50 0 CGAARO Cc1c[nH]c(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)n1 ZINC000663366523 419581085 /nfs/dbraw/zinc/58/10/85/419581085.db2.gz IRHGJHKXOVQMEB-QGZVFWFLSA-N 1 0 269.392 3.176 50 0 CGAARO CCCC[C@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCC2)O1 ZINC000013153792 275983953 /nfs/dbraw/zinc/98/39/53/275983953.db2.gz YGCPCVLTZNXDDJ-ZNMIVQPWSA-N 1 0 255.402 3.040 50 0 CGAARO CCC[N@@H+](Cc1c(C)noc1C)C[C@@H]1CCCCO1 ZINC000097496905 276255447 /nfs/dbraw/zinc/25/54/47/276255447.db2.gz LCEOGAQGZXRHNV-AWEZNQCLSA-N 1 0 266.385 3.073 50 0 CGAARO CC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000097035056 276438217 /nfs/dbraw/zinc/43/82/17/276438217.db2.gz VCGPBNRDPPYQHL-YPMHNXCESA-N 1 0 288.313 3.148 50 0 CGAARO COCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000053420044 277227626 /nfs/dbraw/zinc/22/76/26/277227626.db2.gz VMEMWNPNKRFCPE-CQSZACIVSA-N 1 0 279.430 3.404 50 0 CGAARO COCC[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000124439705 277235230 /nfs/dbraw/zinc/23/52/30/277235230.db2.gz SPHBRDJRFPSYHR-GFCCVEGCSA-N 1 0 267.800 3.386 50 0 CGAARO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090086184 278286711 /nfs/dbraw/zinc/28/67/11/278286711.db2.gz DJZQSGXDOPPNTL-AEGPPILISA-N 1 0 253.430 3.342 50 0 CGAARO CC(C)[C@@H]([NH2+]C1CCOCC1)c1ccc(F)cc1F ZINC000095969323 279904166 /nfs/dbraw/zinc/90/41/66/279904166.db2.gz GUZOFNYFASVEFE-OAHLLOKOSA-N 1 0 269.335 3.431 50 0 CGAARO CC[C@H]1CCC[C@H](C[N@H+](C)C2CCS(=O)CC2)C1 ZINC000097108478 288225084 /nfs/dbraw/zinc/22/50/84/288225084.db2.gz JPSBEXWPBVBWBQ-KZGGZSBBSA-N 1 0 271.470 3.046 50 0 CGAARO C[NH+](C)C1CCN(c2c(F)cccc2C(F)(F)F)CC1 ZINC000169725629 282051973 /nfs/dbraw/zinc/05/19/73/282051973.db2.gz QKDGRWUDSVXLLV-UHFFFAOYSA-N 1 0 290.304 3.375 50 0 CGAARO CC1=C(c2ccccc2)[C@H]1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534667032 328345635 /nfs/dbraw/zinc/34/56/35/328345635.db2.gz YJIKPDYDTHFRHQ-KRWDZBQOSA-N 1 0 298.430 3.081 50 0 CGAARO O[C@@H](C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000019871911 326857397 /nfs/dbraw/zinc/85/73/97/326857397.db2.gz ZXPXMXDBXPXCFH-HNNXBMFYSA-N 1 0 261.752 3.163 50 0 CGAARO Fc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)cc21 ZINC000436281262 534528758 /nfs/dbraw/zinc/52/87/58/534528758.db2.gz GMMSNTUVVKDUMM-MJEQTWJJSA-N 1 0 288.366 3.354 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000067982945 521716648 /nfs/dbraw/zinc/71/66/48/521716648.db2.gz IMPKEZMHBWXSSW-ZDUSSCGKSA-N 1 0 275.421 3.104 50 0 CGAARO Cc1cc(NC(=O)C(C)(C)[NH+](C)C)ccc1Br ZINC000084086385 566878518 /nfs/dbraw/zinc/87/85/18/566878518.db2.gz KEFWBXNZUNCIMJ-UHFFFAOYSA-N 1 0 299.212 3.036 50 0 CGAARO O[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000198901668 570377849 /nfs/dbraw/zinc/37/78/49/570377849.db2.gz RRVCCPCWJKCTCG-MSOLQXFVSA-N 1 0 267.372 3.037 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH3+])c2ccccc21 ZINC000950756041 613998795 /nfs/dbraw/zinc/99/87/95/613998795.db2.gz DUXYXFLJKUCGQT-STQMWFEESA-N 1 0 262.353 3.046 50 0 CGAARO CC[C@@H]1C=CC[N@@H+]1C1CCN(C(=O)c2cccs2)CC1 ZINC000952979071 615551213 /nfs/dbraw/zinc/55/12/13/615551213.db2.gz UMQCOQHJKCJLNW-CYBMUJFWSA-N 1 0 290.432 3.003 50 0 CGAARO COCCC1(C[NH2+]Cc2ccc(OC)nc2)CCCCC1 ZINC000189024803 619088971 /nfs/dbraw/zinc/08/89/71/619088971.db2.gz QUGQUIMCXKZHLQ-UHFFFAOYSA-N 1 0 292.423 3.167 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1coc2ccccc12 ZINC000113148878 638217468 /nfs/dbraw/zinc/21/74/68/638217468.db2.gz SFTATAGLDJOPKS-ZDUSSCGKSA-N 1 0 286.375 3.037 50 0 CGAARO Cc1ccc(C(C)C)c(OCCCCN2CC[NH2+]CC2)c1 ZINC000020272439 641041637 /nfs/dbraw/zinc/04/16/37/641041637.db2.gz NGPSAIVNGUIZQR-UHFFFAOYSA-N 1 0 290.451 3.183 50 0 CGAARO COC[C@@H](C)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000585084550 799676218 /nfs/dbraw/zinc/67/62/18/799676218.db2.gz TYAAGMIHVMSSQQ-AWEZNQCLSA-N 1 0 259.393 3.206 50 0 CGAARO CC[N@H+](C)C[C@@H](C)c1nc(-c2c[nH]c3ccccc23)n[nH]1 ZINC000823076020 800465447 /nfs/dbraw/zinc/46/54/47/800465447.db2.gz GWNNFZKZSFOUBU-LLVKDONJSA-N 1 0 283.379 3.008 50 0 CGAARO CCn1ccc2c1cccc2C[N@H+](C)C[C@H]1CCOC1 ZINC000823587857 800467813 /nfs/dbraw/zinc/46/78/13/800467813.db2.gz JBCRFYMOVQXFGQ-CQSZACIVSA-N 1 0 272.392 3.130 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)nc(C)n2C ZINC000824250103 800470209 /nfs/dbraw/zinc/47/02/09/800470209.db2.gz UHMHGJPCQNDNJW-LBPRGKRZSA-N 1 0 289.423 3.175 50 0 CGAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1c(Cl)cncc1Cl ZINC000952861523 800685116 /nfs/dbraw/zinc/68/51/16/800685116.db2.gz HRHPYJXLIIAEOH-SNVBAGLBSA-N 1 0 299.205 3.153 50 0 CGAARO CC(C)[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccnc2)c2ccccc21 ZINC000952879480 800685948 /nfs/dbraw/zinc/68/59/48/800685948.db2.gz ITYDTUAFQNACFK-QAPCUYQASA-N 1 0 295.386 3.018 50 0 CGAARO CCCn1nc(CC(C)C)nc1[C@H]1CC[N@@H+](C(C)C)C1 ZINC000952872118 800686008 /nfs/dbraw/zinc/68/60/08/800686008.db2.gz KEHMQEYWYHXEGM-AWEZNQCLSA-N 1 0 278.444 3.084 50 0 CGAARO OCC[N@H+](Cc1ccccc1)[C@H]1CCc2ccccc2C1 ZINC000023283227 926835557 /nfs/dbraw/zinc/83/55/57/926835557.db2.gz JSJWXNSTZJZLNG-IBGZPJMESA-N 1 0 281.399 3.038 50 0 CGAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000409421094 932026374 /nfs/dbraw/zinc/02/63/74/932026374.db2.gz HAPWXTYHRYZLDA-UHFFFAOYSA-N 1 0 289.423 3.244 50 0 CGAARO Cc1nc2ccccc2c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC001506402389 937989597 /nfs/dbraw/zinc/98/95/97/937989597.db2.gz XRLPVNLGTYYKOL-OAHLLOKOSA-N 1 0 296.418 3.003 50 0 CGAARO C[NH+](C)C[C@H]1CCN(c2ccc3cccc(Cl)c3n2)C1 ZINC001506410456 937989956 /nfs/dbraw/zinc/98/99/56/937989956.db2.gz KWZREJRFEGXWLI-GFCCVEGCSA-N 1 0 289.810 3.276 50 0 CGAARO c1coc(CN2CCC([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)CC2)c1 ZINC001506415586 937989979 /nfs/dbraw/zinc/98/99/79/937989979.db2.gz ZBBFGIUXGUUZEO-IYBDPMFKSA-N 1 0 286.419 3.142 50 0 CGAARO Cc1cc(N[C@H]2CCC[N@@H+](C)C2)nc2ccc(F)cc12 ZINC001506420123 937990133 /nfs/dbraw/zinc/99/01/33/937990133.db2.gz VEGVSAPWJFASLY-ZDUSSCGKSA-N 1 0 273.355 3.188 50 0 CGAARO COc1cccc([C@H]2CC[N@H+](Cc3ccco3)C2)c1OC ZINC001506421311 937990138 /nfs/dbraw/zinc/99/01/38/937990138.db2.gz FGJAYVXPKFSRNT-ZDUSSCGKSA-N 1 0 287.359 3.286 50 0 CGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)c1cnccn1 ZINC001529098415 938070801 /nfs/dbraw/zinc/07/08/01/938070801.db2.gz FLWMCMSSXZRLDF-UHFFFAOYSA-N 1 0 288.439 3.102 50 0 CGAARO Cc1ncsc1CC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC001529181703 938071648 /nfs/dbraw/zinc/07/16/48/938071648.db2.gz UVXZHGDVZIQFAY-HNNXBMFYSA-N 1 0 290.432 3.050 50 0 CGAARO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000096478203 230380176 /nfs/dbraw/zinc/38/01/76/230380176.db2.gz VSDRMNIVGJBVCO-ZWNOBZJWSA-N 1 0 273.829 3.105 50 0 CGAARO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000095968107 185046422 /nfs/dbraw/zinc/04/64/22/185046422.db2.gz OFORJAQZVLJMQJ-BFUOFWGJSA-N 1 0 297.489 3.360 50 0 CGAARO C[NH2+]Cc1cccc(NC(=O)CCc2cccc(F)c2)c1 ZINC000095971537 185048805 /nfs/dbraw/zinc/04/88/05/185048805.db2.gz IYAOSCXTWOBBMD-UHFFFAOYSA-N 1 0 286.350 3.116 50 0 CGAARO COC(=O)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000095973352 185049196 /nfs/dbraw/zinc/04/91/96/185049196.db2.gz XJECGYYXYNLKTJ-ZDUSSCGKSA-N 1 0 281.783 3.116 50 0 CGAARO Cc1cnc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)o1 ZINC000095984745 185055034 /nfs/dbraw/zinc/05/50/34/185055034.db2.gz ZBZRPEMLJVULPU-ZDUSSCGKSA-N 1 0 258.365 3.439 50 0 CGAARO CCCOC(=O)c1ccc2c[nH+]c(C3CC3)n2c1C ZINC000096004045 185061798 /nfs/dbraw/zinc/06/17/98/185061798.db2.gz HSEVCIRJEKRWCF-UHFFFAOYSA-N 1 0 258.321 3.087 50 0 CGAARO Cc1nc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004739 185062790 /nfs/dbraw/zinc/06/27/90/185062790.db2.gz SUZULDOCJMIDOX-JSGCOSHPSA-N 1 0 293.480 3.194 50 0 CGAARO CCc1ccc([C@H]([NH2+]CC(=O)NC(C)C)C(C)C)cc1 ZINC000096955927 185141178 /nfs/dbraw/zinc/14/11/78/185141178.db2.gz IKQWBEUZISCIEP-QGZVFWFLSA-N 1 0 276.424 3.060 50 0 CGAARO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC000097011985 185151917 /nfs/dbraw/zinc/15/19/17/185151917.db2.gz WLOKXYMOJJFVET-UHFFFAOYSA-N 1 0 290.407 3.176 50 0 CGAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(C)C)no2)C12CCC2 ZINC000097034537 185157641 /nfs/dbraw/zinc/15/76/41/185157641.db2.gz AXZNDTKVELPFDY-HUUCEWRRSA-N 1 0 278.396 3.235 50 0 CGAARO C[C@H]1C(c2ccccc2)[N+](=O)[C@](C)(c2cccs2)N1O ZINC000015768204 344885047 /nfs/dbraw/zinc/88/50/47/344885047.db2.gz KGTAFXKBQLSUQB-XHDPSFHLSA-N 1 0 288.372 3.014 50 0 CGAARO CC(C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199153 345063076 /nfs/dbraw/zinc/06/30/76/345063076.db2.gz HBRYUMPEWFXVEG-UHFFFAOYSA-N 1 0 260.381 3.267 50 0 CGAARO CC(C)[C@@H](CNc1cnc2ccccc2n1)[NH+]1CCCC1 ZINC000059420397 345208391 /nfs/dbraw/zinc/20/83/91/345208391.db2.gz XNDSOMJSSXXQPI-MRXNPFEDSA-N 1 0 284.407 3.162 50 0 CGAARO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000072288972 345408312 /nfs/dbraw/zinc/40/83/12/345408312.db2.gz SZAOQPUBCPPLQC-ZDUSSCGKSA-N 1 0 295.814 3.336 50 0 CGAARO Cc1cccc(NC(=O)C[N@H+](C)CCCC2CCCC2)n1 ZINC000078971177 345626726 /nfs/dbraw/zinc/62/67/26/345626726.db2.gz LDRFUMFOOJBAII-UHFFFAOYSA-N 1 0 289.423 3.231 50 0 CGAARO c1ccc([C@H](C[NH+]2CCCCC2)c2cnccn2)cc1 ZINC000096027012 345901855 /nfs/dbraw/zinc/90/18/55/345901855.db2.gz MFDPBKCOEAPNNC-INIZCTEOSA-N 1 0 267.376 3.094 50 0 CGAARO Cc1csc([C@H]([NH2+][C@H]2CCCSC2)C2CC2)n1 ZINC000097370840 345907712 /nfs/dbraw/zinc/90/77/12/345907712.db2.gz CDWCYHUSUNAEEP-NWDGAFQWSA-N 1 0 268.451 3.388 50 0 CGAARO C[C@H](CCn1cccn1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000157557090 346161937 /nfs/dbraw/zinc/16/19/37/346161937.db2.gz HXMKAWDOHBJXLI-PNESKVBLSA-N 1 0 289.345 3.372 50 0 CGAARO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)NC1CCCCCCC1 ZINC000170621002 346195604 /nfs/dbraw/zinc/19/56/04/346195604.db2.gz BVAMRUIOULBDSR-QGZVFWFLSA-N 1 0 292.467 3.480 50 0 CGAARO COCc1cc(C[NH2+][C@@H](C)C[C@H]2CCCO2)ccc1F ZINC000170670414 346197004 /nfs/dbraw/zinc/19/70/04/346197004.db2.gz YJHXHVRVCMFZRN-SWLSCSKDSA-N 1 0 281.371 3.019 50 0 CGAARO CCCC(C)(C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085322971 179016718 /nfs/dbraw/zinc/01/67/18/179016718.db2.gz WEEGDGDQDWXJFV-QGZVFWFLSA-N 1 0 253.411 3.092 50 0 CGAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCSc3ccccc32)C1 ZINC000195558661 346273702 /nfs/dbraw/zinc/27/37/02/346273702.db2.gz VXUFWFLSMHCTLQ-GUTXKFCHSA-N 1 0 275.417 3.140 50 0 CGAARO Cc1ccc2cc(C[N@H+]3C[C@H](CO)CC[C@@H]3C)ccc2n1 ZINC000225477871 346304514 /nfs/dbraw/zinc/30/45/14/346304514.db2.gz LZWOLBONRBOICD-GOEBONIOSA-N 1 0 284.403 3.136 50 0 CGAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000225464309 346304745 /nfs/dbraw/zinc/30/47/45/346304745.db2.gz QLQBUUOHTAZUNM-WZRBSPASSA-N 1 0 291.313 3.198 50 0 CGAARO CCn1ncnc1CN1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000225614776 346304829 /nfs/dbraw/zinc/30/48/29/346304829.db2.gz BNYYUYYKTHSDNF-SJLPKXTDSA-N 1 0 296.418 3.199 50 0 CGAARO CS[C@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000090725477 180033145 /nfs/dbraw/zinc/03/31/45/180033145.db2.gz MZECFSQOFSRDDI-CHWSQXEVSA-N 1 0 275.421 3.274 50 0 CGAARO Cc1ccc(O)c(C[N@H+](CCC(F)(F)F)C2CCC2)n1 ZINC000091902788 180283397 /nfs/dbraw/zinc/28/33/97/180283397.db2.gz PNZIYFZJVCINTD-UHFFFAOYSA-N 1 0 288.313 3.403 50 0 CGAARO O[C@H]1CC[N@H+](Cc2ccsc2)[C@@H](c2ccccc2)C1 ZINC000636440464 351762311 /nfs/dbraw/zinc/76/23/11/351762311.db2.gz FQRWPENVTWUZJJ-JKSUJKDBSA-N 1 0 273.401 3.446 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C(C)=O)cc1 ZINC000124156472 187124431 /nfs/dbraw/zinc/12/44/31/187124431.db2.gz UDSMPFGXBGRZSO-UHFFFAOYSA-N 1 0 296.370 3.251 50 0 CGAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000130985239 283457557 /nfs/dbraw/zinc/45/75/57/283457557.db2.gz JLQUSVWSBNPRQF-ZETCQYMHSA-N 1 0 293.219 3.008 50 0 CGAARO O[C@@](c1cccs1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000204010 368315320 /nfs/dbraw/zinc/31/53/20/368315320.db2.gz IPKLUCDIJUDRKF-AEFFLSMTSA-N 1 0 299.439 3.326 50 0 CGAARO O[C@](c1cccs1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000204014 368315589 /nfs/dbraw/zinc/31/55/89/368315589.db2.gz IPKLUCDIJUDRKF-SJLPKXTDSA-N 1 0 299.439 3.326 50 0 CGAARO CCOC(=O)N1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC000000218858 368318270 /nfs/dbraw/zinc/31/82/70/368318270.db2.gz NRTJRAAWQHTWKR-HNNXBMFYSA-N 1 0 282.428 3.143 50 0 CGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCCC1 ZINC000000052257 368278017 /nfs/dbraw/zinc/27/80/17/368278017.db2.gz PLXBGSAVISPBTP-WMZOPIPTSA-N 1 0 298.430 3.320 50 0 biogenic CGAARO CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000052803 368278599 /nfs/dbraw/zinc/27/85/99/368278599.db2.gz SBDBWDDRUWOMBR-UHFFFAOYSA-N 1 0 280.799 3.401 50 0 CGAARO COc1ccccc1N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000000135939 368298523 /nfs/dbraw/zinc/29/85/23/368298523.db2.gz HRWYJAVFPXMDRP-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO CC(=O)O[C@@]1(c2ccccc2)CCCC[C@H]1C[NH+](C)C ZINC000000185585 368311863 /nfs/dbraw/zinc/31/18/63/368311863.db2.gz LZVWWRCQKVEPAX-DLBZAZTESA-N 1 0 275.392 3.197 50 0 CGAARO Cc1cc(C)c(NC(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000000262164 368326758 /nfs/dbraw/zinc/32/67/58/368326758.db2.gz XRCCCHHMZLPHFV-UHFFFAOYSA-N 1 0 274.408 3.426 50 0 CGAARO CCC[N@H+](CCO)Cc1c(OC)ccc2ccccc21 ZINC000000277475 368330430 /nfs/dbraw/zinc/33/04/30/368330430.db2.gz GQUICHGERBUUMN-UHFFFAOYSA-N 1 0 273.376 3.053 50 0 CGAARO c1cnc2c(c1)cccc2OCC[NH+]1CCCCC1 ZINC000000357980 368347443 /nfs/dbraw/zinc/34/74/43/368347443.db2.gz ZKEJYNILBNFDMT-UHFFFAOYSA-N 1 0 256.349 3.100 50 0 biogenic CGAARO c1ccc(Cc2cc[n+](Cc3ccccn3)cc2)cc1 ZINC000000494250 368378963 /nfs/dbraw/zinc/37/89/63/368378963.db2.gz CQYZGENOVOXADL-UHFFFAOYSA-N 1 0 261.348 3.008 50 0 CGAARO C[N@H+](CCOC(=O)c1cccc(Cl)c1)C(C)(C)C ZINC000002180601 368448181 /nfs/dbraw/zinc/44/81/81/368448181.db2.gz AELMSXRLGWRNID-UHFFFAOYSA-N 1 0 269.772 3.227 50 0 CGAARO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000002655780 368472765 /nfs/dbraw/zinc/47/27/65/368472765.db2.gz NDOMXUNDXMPPMQ-VIFPVBQESA-N 1 0 274.286 3.032 50 0 CGAARO [NH3+]CCSc1cc(C(F)(F)F)nc2ccccc21 ZINC000002555833 368463948 /nfs/dbraw/zinc/46/39/48/368463948.db2.gz SIVFTOISFTWFPU-UHFFFAOYSA-N 1 0 272.295 3.304 50 0 CGAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000002871408 368482539 /nfs/dbraw/zinc/48/25/39/368482539.db2.gz KRZFSNQVIHZKPX-INIZCTEOSA-N 1 0 291.435 3.256 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2)c(OC)c1C ZINC000002899141 368486018 /nfs/dbraw/zinc/48/60/18/368486018.db2.gz YSVVKIYZLQFIKL-UHFFFAOYSA-N 1 0 285.387 3.345 50 0 CGAARO CC[C@@H](C)c1ccc(OCCC[NH2+]CCOC)cc1 ZINC000003002011 368488473 /nfs/dbraw/zinc/48/84/73/368488473.db2.gz NJCVFOIIOSPWAJ-CQSZACIVSA-N 1 0 265.397 3.205 50 0 CGAARO Cc1ccc([C@]2(CC[NH3+])CCO[C@H](C(C)C)C2)cc1 ZINC000004043691 368529046 /nfs/dbraw/zinc/52/90/46/368529046.db2.gz HPVXHZLIZADOQV-DLBZAZTESA-N 1 0 261.409 3.417 50 0 biogenic CGAARO Clc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000004155489 368534226 /nfs/dbraw/zinc/53/42/26/368534226.db2.gz OHYQBDWJZDFWDL-UHFFFAOYSA-N 1 0 284.190 3.370 50 0 CGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1cccc(Cl)c1 ZINC000004673374 368556191 /nfs/dbraw/zinc/55/61/91/368556191.db2.gz QCNOWCQRHCKIHS-LBPRGKRZSA-N 1 0 281.783 3.371 50 0 CGAARO CC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000004670850 368556269 /nfs/dbraw/zinc/55/62/69/368556269.db2.gz NBADQJVECXDTDV-UHFFFAOYSA-N 1 0 257.761 3.245 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCO1 ZINC000004488534 368547414 /nfs/dbraw/zinc/54/74/14/368547414.db2.gz OASAONSBMYZACM-CQSZACIVSA-N 1 0 271.360 3.117 50 0 CGAARO CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CO)cc1Cl ZINC000010435754 368582223 /nfs/dbraw/zinc/58/22/23/368582223.db2.gz AZZGVGAQLDBKPS-JTQLQIEISA-N 1 0 292.206 3.253 50 0 CGAARO COc1ccc([C@H]([NH3+])Cc2ccccc2C)cc1OC ZINC000011602229 368593298 /nfs/dbraw/zinc/59/32/98/368593298.db2.gz BBBWZQLIGIACCP-OAHLLOKOSA-N 1 0 271.360 3.255 50 0 CGAARO CCc1ccc(C(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012442743 368613351 /nfs/dbraw/zinc/61/33/51/368613351.db2.gz NDQODCKCWPSPQO-UHFFFAOYSA-N 1 0 288.435 3.099 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1c[nH]c2ccccc12 ZINC000012437291 368613688 /nfs/dbraw/zinc/61/36/88/368613688.db2.gz MJCBKKPOEAMEOT-MLGOLLRUSA-N 1 0 258.365 3.076 50 0 CGAARO CCCC1c2cccn2CC[N+]1=CC(=O)c1ccc(C)cc1 ZINC000015973962 368706259 /nfs/dbraw/zinc/70/62/59/368706259.db2.gz JZPSMEHMSTZFIL-UHFFFAOYSA-N 1 0 295.406 3.158 50 0 CGAARO COc1ccccc1OC/C=C/C[NH+]1CCCCC1 ZINC000016624094 368718915 /nfs/dbraw/zinc/71/89/15/368718915.db2.gz NYSBJBBNFLQPIW-BQYQJAHWSA-N 1 0 261.365 3.116 50 0 CGAARO Cn1c2ccccc2nc1C[N@H+](C)C1CCCCC1 ZINC000013943962 368671384 /nfs/dbraw/zinc/67/13/84/368671384.db2.gz QFKUFKQTXUBEAF-UHFFFAOYSA-N 1 0 257.381 3.338 50 0 CGAARO c1ccc(COc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000014631732 368682313 /nfs/dbraw/zinc/68/23/13/368682313.db2.gz MHFLLKCOCWRQHV-GOSISDBHSA-N 1 0 283.371 3.396 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000017310565 368731456 /nfs/dbraw/zinc/73/14/56/368731456.db2.gz NHBOLNLNOZKULN-UHFFFAOYSA-N 1 0 286.350 3.116 50 0 CGAARO CC[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019882740 368775513 /nfs/dbraw/zinc/77/55/13/368775513.db2.gz YADQZAAUUYHEEI-QMMMGPOBSA-N 1 0 260.150 3.476 50 0 CGAARO c1cncc(CNC[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000019735494 368762047 /nfs/dbraw/zinc/76/20/47/368762047.db2.gz XMADRZXWUCBVKU-QGZVFWFLSA-N 1 0 287.451 3.216 50 0 CGAARO Cc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019789350 368765500 /nfs/dbraw/zinc/76/55/00/368765500.db2.gz YFWCFIYXDFSTOC-SFHVURJKSA-N 1 0 284.447 3.469 50 0 CGAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000019809389 368768512 /nfs/dbraw/zinc/76/85/12/368768512.db2.gz ZMPLVKWLHZNBBJ-UHFFFAOYSA-N 1 0 286.394 3.390 50 0 CGAARO Cc1n[nH]c(C)c1C[N@H+](C)CCc1c(C)[nH]c2ccccc21 ZINC000019112376 368744326 /nfs/dbraw/zinc/74/43/26/368744326.db2.gz OSFLRJYFLVMNOJ-UHFFFAOYSA-N 1 0 296.418 3.491 50 0 CGAARO Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019536646 368756562 /nfs/dbraw/zinc/75/65/62/368756562.db2.gz UZIYLIRBEDSOPG-UHFFFAOYSA-N 1 0 280.415 3.313 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000019881813 368775355 /nfs/dbraw/zinc/77/53/55/368775355.db2.gz YVKIPUPGMBCHAL-MRVPVSSYSA-N 1 0 260.150 3.476 50 0 CGAARO C(=C/c1ccccc1)\CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020783608 368808590 /nfs/dbraw/zinc/80/85/90/368808590.db2.gz TWKKVTBGJYNBEX-WGLAMXGCSA-N 1 0 270.420 3.260 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1ccc(Br)o1 ZINC000023115216 368816894 /nfs/dbraw/zinc/81/68/94/368816894.db2.gz UNHCXEYBNYVJRY-UHFFFAOYSA-N 1 0 295.180 3.112 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000023283561 368820109 /nfs/dbraw/zinc/82/01/09/368820109.db2.gz KKBVINXNQHSXCL-CQSZACIVSA-N 1 0 270.376 3.201 50 0 CGAARO Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000024535625 368831944 /nfs/dbraw/zinc/83/19/44/368831944.db2.gz VGFNHJYUHBGRQX-QGZVFWFLSA-N 1 0 297.402 3.419 50 0 CGAARO COc1cccc(CNCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000019912861 368781443 /nfs/dbraw/zinc/78/14/43/368781443.db2.gz YXJOJKZIRQOMLN-HNNXBMFYSA-N 1 0 276.424 3.049 50 0 CGAARO COC(=O)c1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC000035123840 368999099 /nfs/dbraw/zinc/99/90/99/368999099.db2.gz HFHQUAHPYUKWEL-UHFFFAOYSA-N 1 0 275.373 3.167 50 0 CGAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC1CCCCC1 ZINC000035132878 369000627 /nfs/dbraw/zinc/00/06/27/369000627.db2.gz NXLDDMTXCQKZDI-VXGBXAGGSA-N 1 0 280.437 3.236 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000036997468 369048501 /nfs/dbraw/zinc/04/85/01/369048501.db2.gz FVAMITZZLBQCFJ-LBPRGKRZSA-N 1 0 273.380 3.356 50 0 CGAARO COc1ccccc1C[C@H](C)[NH2+]Cc1c(C)noc1C ZINC000037778634 369110775 /nfs/dbraw/zinc/11/07/75/369110775.db2.gz UCEYJPSLVMLNKX-NSHDSACASA-N 1 0 274.364 3.021 50 0 CGAARO [NH3+]C[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000038526552 369146706 /nfs/dbraw/zinc/14/67/06/369146706.db2.gz ZWIQYOYNKDZSIM-CQSZACIVSA-N 1 0 252.789 3.216 50 0 CGAARO c1ccc2c(c1)nc(Nc1cc[nH+]cc1)nc2N1CCCC1 ZINC000041148259 369177787 /nfs/dbraw/zinc/17/77/87/369177787.db2.gz RWFSKFQDECDSSX-UHFFFAOYSA-N 1 0 291.358 3.369 50 0 CGAARO CC(C)C[C@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000049592661 369412638 /nfs/dbraw/zinc/41/26/38/369412638.db2.gz CLCIIOFBOZXTQI-CYBMUJFWSA-N 1 0 263.406 3.398 50 0 CGAARO CC[NH+]1CCC(NCc2ccccc2Br)CC1 ZINC000055142231 369512179 /nfs/dbraw/zinc/51/21/79/369512179.db2.gz GRVYLINNTSVWJW-UHFFFAOYSA-N 1 0 297.240 3.023 50 0 CGAARO [NH2+]=C(NCCSc1ccccc1)NCc1ccccc1 ZINC000058329395 369562910 /nfs/dbraw/zinc/56/29/10/369562910.db2.gz LTJBSKVYVHTXMM-UHFFFAOYSA-N 1 0 285.416 3.093 50 0 CGAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000058393176 369567656 /nfs/dbraw/zinc/56/76/56/369567656.db2.gz DWMHNVKFCINAAU-KRWDZBQOSA-N 1 0 268.360 3.427 50 0 CGAARO FC(F)(F)COCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000058431228 369569114 /nfs/dbraw/zinc/56/91/14/369569114.db2.gz BTTFBZQVUVFTJS-CQSZACIVSA-N 1 0 287.325 3.445 50 0 CGAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COCc1cccs1 ZINC000060477981 369588002 /nfs/dbraw/zinc/58/80/02/369588002.db2.gz XHQWHRJNEXMYOW-HNNXBMFYSA-N 1 0 299.480 3.240 50 0 CGAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cccc(O)c1 ZINC000063856368 369649246 /nfs/dbraw/zinc/64/92/46/369649246.db2.gz GGZWREAKKJRVET-OAHLLOKOSA-N 1 0 291.416 3.227 50 0 CGAARO C[C@H](O)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000065288561 369668176 /nfs/dbraw/zinc/66/81/76/369668176.db2.gz GSEGPWCMBRLFQP-NSHDSACASA-N 1 0 287.325 3.298 50 0 CGAARO CCCOc1c(C[NH2+][C@H]2CCSC2)cccc1OC ZINC000065372941 369668803 /nfs/dbraw/zinc/66/88/03/369668803.db2.gz WJRGVVAUJPATRK-ZDUSSCGKSA-N 1 0 281.421 3.079 50 0 CGAARO Cn1c2ccccc2nc1C[NH2+][C@H]1CCc2ccccc21 ZINC000066970704 369708789 /nfs/dbraw/zinc/70/87/89/369708789.db2.gz MVGFYUUFQJRWLQ-HNNXBMFYSA-N 1 0 277.371 3.350 50 0 CGAARO CC(C)Cc1cc(CNC2CC[NH+](CC(C)C)CC2)no1 ZINC000067491126 369717800 /nfs/dbraw/zinc/71/78/00/369717800.db2.gz YPEFSXNVTUTXPU-UHFFFAOYSA-N 1 0 293.455 3.083 50 0 CGAARO Cc1ccccc1[C@@]1(O)CC[N@H+](C/C=C/c2ccco2)C1 ZINC000065398944 369672038 /nfs/dbraw/zinc/67/20/38/369672038.db2.gz HXHCZLXUPOEJNC-WEBJUUICSA-N 1 0 283.371 3.195 50 0 CGAARO C/C(=C\c1cc(Cl)ccc1O)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000065404407 369673830 /nfs/dbraw/zinc/67/38/30/369673830.db2.gz DWNBSYAAFBWWTM-RPHSKFLZSA-N 1 0 294.826 3.085 50 0 CGAARO CCC[NH+]1CCC(Cc2nnc(Cc3ccccc3)[nH]2)CC1 ZINC000065431649 369676208 /nfs/dbraw/zinc/67/62/08/369676208.db2.gz KBLTWPZHRPTTFY-UHFFFAOYSA-N 1 0 298.434 3.060 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000065453224 369677380 /nfs/dbraw/zinc/67/73/80/369677380.db2.gz DVFUPLJYDUYLAO-OAHLLOKOSA-N 1 0 271.360 3.152 50 0 CGAARO Cc1nn(C)c(C)c1C[N@H+](C1CC1)C1Cc2ccccc2C1 ZINC000065492539 369679373 /nfs/dbraw/zinc/67/93/73/369679373.db2.gz RDRUOQPQWGJEMQ-UHFFFAOYSA-N 1 0 295.430 3.169 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065515770 369681370 /nfs/dbraw/zinc/68/13/70/369681370.db2.gz DCLMFXCJZKJTTQ-HNNXBMFYSA-N 1 0 257.337 3.024 50 0 CGAARO C[N@H+](Cc1nc(C(C)(C)C)no1)C1CCCCC1 ZINC000065550914 369682883 /nfs/dbraw/zinc/68/28/83/369682883.db2.gz RWELVOICEQQOSB-UHFFFAOYSA-N 1 0 251.374 3.132 50 0 CGAARO [NH3+]Cc1ccc(Cn2ccnc2-c2ccccc2F)cc1 ZINC000067560264 369720948 /nfs/dbraw/zinc/72/09/48/369720948.db2.gz MFKDYXBZFBJHMW-UHFFFAOYSA-N 1 0 281.334 3.196 50 0 CGAARO CC[N@H+](CCNC(=O)Nc1ccccc1Cl)C(C)C ZINC000065622229 369685360 /nfs/dbraw/zinc/68/53/60/369685360.db2.gz XBXFSFWXOFBVCO-UHFFFAOYSA-N 1 0 283.803 3.192 50 0 CGAARO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H](C)n1cccn1 ZINC000069372681 369757668 /nfs/dbraw/zinc/75/76/68/369757668.db2.gz NAORZNGLVQVIIJ-RYUDHWBXSA-N 1 0 292.452 3.376 50 0 CGAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069538013 369763323 /nfs/dbraw/zinc/76/33/23/369763323.db2.gz HHRJNJHCVMAYGK-STQMWFEESA-N 1 0 284.363 3.072 50 0 CGAARO CCc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069699865 369768576 /nfs/dbraw/zinc/76/85/76/369768576.db2.gz SZXLHNSDDVDHFH-KBPBESRZSA-N 1 0 292.448 3.009 50 0 CGAARO C[NH+](C)Cc1cccc(CNCc2c(F)cccc2F)c1 ZINC000067693181 369725154 /nfs/dbraw/zinc/72/51/54/369725154.db2.gz YWIYTUSAHDSIER-UHFFFAOYSA-N 1 0 290.357 3.316 50 0 CGAARO CC[C@H]([NH2+]C)c1ccc(-c2ccc(C(N)=O)cc2)cc1 ZINC000067725255 369727142 /nfs/dbraw/zinc/72/71/42/369727142.db2.gz CXEIKQRAZVDNSY-INIZCTEOSA-N 1 0 268.360 3.123 50 0 CGAARO CCC(=O)O[C@@H](c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000071772204 369810664 /nfs/dbraw/zinc/81/06/64/369810664.db2.gz BCQAFTMYJILPBS-HOCLYGCPSA-N 1 0 261.365 3.023 50 0 CGAARO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2F)o1)C(C)(C)C ZINC000072632971 369830731 /nfs/dbraw/zinc/83/07/31/369830731.db2.gz BFMMAFIKRDBMJZ-SNVBAGLBSA-N 1 0 277.343 3.400 50 0 CGAARO C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000076082720 369928819 /nfs/dbraw/zinc/92/88/19/369928819.db2.gz UYCROCRPUFDCFX-CJNGLKHVSA-N 1 0 290.407 3.034 50 0 CGAARO CN(C)[C@H]1CCCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000082137340 369999873 /nfs/dbraw/zinc/99/98/73/369999873.db2.gz JROZGHVYNBKXNX-INIZCTEOSA-N 1 0 271.408 3.084 50 0 CGAARO c1cn(CC2CC2)c([C@H]2CCC[N@H+](CC3CCC3)C2)n1 ZINC000082156323 370000205 /nfs/dbraw/zinc/00/02/05/370000205.db2.gz WBHFXVBNYAUALS-INIZCTEOSA-N 1 0 273.424 3.273 50 0 CGAARO COC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219884 370016556 /nfs/dbraw/zinc/01/65/56/370016556.db2.gz SOYXHBHAWYWKAU-MRVPVSSYSA-N 1 0 292.604 3.227 50 0 CGAARO FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCOCC1 ZINC000089807651 370047424 /nfs/dbraw/zinc/04/74/24/370047424.db2.gz KENZXRFQBXMNMS-HNNXBMFYSA-N 1 0 297.345 3.434 50 0 CGAARO c1c[nH]c([C@H]2CCCC[N@H+]2CCc2ccc3c(c2)CCO3)n1 ZINC000089806928 370047917 /nfs/dbraw/zinc/04/79/17/370047917.db2.gz FPFRWQRPOYVQRN-MRXNPFEDSA-N 1 0 297.402 3.114 50 0 CGAARO COc1cccc(CNc2ccc(CC[NH+](C)C)cc2)c1 ZINC000089319365 370040969 /nfs/dbraw/zinc/04/09/69/370040969.db2.gz PVGVSRCGWFLDBH-UHFFFAOYSA-N 1 0 284.403 3.411 50 0 CGAARO C[NH+](C)[C@@H](CNc1nccc2occc21)Cc1ccccc1 ZINC000089313907 370041257 /nfs/dbraw/zinc/04/12/57/370041257.db2.gz QLONRQKJUOGVQO-OAHLLOKOSA-N 1 0 295.386 3.413 50 0 CGAARO CSC1(C[NH2+][C@H]2CCCC2(C)C)CCOCC1 ZINC000090113907 370054056 /nfs/dbraw/zinc/05/40/56/370054056.db2.gz FWOCADQFLQDGEV-LBPRGKRZSA-N 1 0 257.443 3.067 50 0 CGAARO COc1ccc([C@@H]2CC[N@H+](Cc3scnc3C)C2)cc1 ZINC000092783599 370100461 /nfs/dbraw/zinc/10/04/61/370100461.db2.gz HKBHYKLWCMGPCY-CQSZACIVSA-N 1 0 288.416 3.450 50 0 CGAARO Cc1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)s1 ZINC000093140269 370112738 /nfs/dbraw/zinc/11/27/38/370112738.db2.gz APLLJVUZCIUAFQ-UHFFFAOYSA-N 1 0 295.448 3.217 50 0 CGAARO C[C@H]1C[C@H]([NH2+]CCc2ccccc2)CN1Cc1ccccc1 ZINC000095411867 370185479 /nfs/dbraw/zinc/18/54/79/370185479.db2.gz AOHHSMFAGBANNO-PXNSSMCTSA-N 1 0 294.442 3.482 50 0 CGAARO C[S@](=O)c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000095409641 370184188 /nfs/dbraw/zinc/18/41/88/370184188.db2.gz XLSHDABJEKNGQL-HXUWFJFHSA-N 1 0 285.412 3.203 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000097110883 370226217 /nfs/dbraw/zinc/22/62/17/370226217.db2.gz JCYCWHAZMHXTNL-QWHCGFSZSA-N 1 0 278.444 3.301 50 0 CGAARO CCn1nccc1C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000097146843 370231068 /nfs/dbraw/zinc/23/10/68/370231068.db2.gz TYLUGPVPNLGXHA-GFCCVEGCSA-N 1 0 289.427 3.014 50 0 CGAARO Cc1ccc(C[NH2+]CCSCc2cccs2)nc1 ZINC000097228132 370235610 /nfs/dbraw/zinc/23/56/10/370235610.db2.gz GIAHTNDAUFZXFM-UHFFFAOYSA-N 1 0 278.446 3.475 50 0 CGAARO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)[C@@H]1CCCO1 ZINC000097374169 370240135 /nfs/dbraw/zinc/24/01/35/370240135.db2.gz LHCKUCWQWUNERY-GWCFXTLKSA-N 1 0 278.377 3.060 50 0 CGAARO Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000097463566 370241961 /nfs/dbraw/zinc/24/19/61/370241961.db2.gz JEEMTKLHFWOONM-CYBMUJFWSA-N 1 0 295.814 3.206 50 0 CGAARO CC[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1OC(F)F ZINC000095419520 370187037 /nfs/dbraw/zinc/18/70/37/370187037.db2.gz YEQQYJMZDPPRSZ-AWEZNQCLSA-N 1 0 298.377 3.423 50 0 CGAARO Cc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccsc2)n1 ZINC000095421113 370187925 /nfs/dbraw/zinc/18/79/25/370187925.db2.gz IOVCOOQHVLJSDR-GFCCVEGCSA-N 1 0 289.404 3.131 50 0 CGAARO Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCCO)c1 ZINC000095423124 370190154 /nfs/dbraw/zinc/19/01/54/370190154.db2.gz UDSFFPNOLMDCNJ-OAHLLOKOSA-N 1 0 285.387 3.217 50 0 CGAARO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccncc1 ZINC000095436219 370192868 /nfs/dbraw/zinc/19/28/68/370192868.db2.gz SRCFWAYLBPCFKT-UHFFFAOYSA-N 1 0 283.419 3.082 50 0 CGAARO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccco2)cc1F ZINC000095988571 370202659 /nfs/dbraw/zinc/20/26/59/370202659.db2.gz MJRNPBAVZQHANV-GJZGRUSLSA-N 1 0 279.286 3.178 50 0 CGAARO C(=C\c1ccco1)\C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000098059537 370261343 /nfs/dbraw/zinc/26/13/43/370261343.db2.gz JIZGKVLQYKXLFP-BAQGIRSFSA-N 1 0 293.370 3.327 50 0 CGAARO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1Cl ZINC000102231886 370299942 /nfs/dbraw/zinc/29/99/42/370299942.db2.gz SLQILSHBMPAUSF-VIKVFOODSA-N 1 0 295.810 3.205 50 0 CGAARO CCC[N@H+](CCO)Cc1ccc2cccc(Cl)c2n1 ZINC000219503182 376202247 /nfs/dbraw/zinc/20/22/47/376202247.db2.gz JIVPRPLGPCQMEY-UHFFFAOYSA-N 1 0 278.783 3.093 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]C2CCSCC2)cc1OC ZINC000134447215 371337406 /nfs/dbraw/zinc/33/74/06/371337406.db2.gz ZDRNWLRWMNXHSS-GFCCVEGCSA-N 1 0 295.448 3.120 50 0 CGAARO COc1ccc([C@@H]2CC[N@H+](CCc3ccncc3)C2)cc1 ZINC000155325034 371921175 /nfs/dbraw/zinc/92/11/75/371921175.db2.gz QBQGEVSVGLKQJR-QGZVFWFLSA-N 1 0 282.387 3.122 50 0 CGAARO c1csc(-c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2)n1 ZINC000037765708 541865557 /nfs/dbraw/zinc/86/55/57/541865557.db2.gz ZMDIRULZJOWNBQ-HNNXBMFYSA-N 1 0 285.416 3.316 50 0 CGAARO c1cncc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC000426383200 372155106 /nfs/dbraw/zinc/15/51/06/372155106.db2.gz ZWGDLOVEMRQRFJ-UHFFFAOYSA-N 1 0 253.349 3.130 50 0 CGAARO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-n2ccnc2)c1 ZINC000170088207 372634649 /nfs/dbraw/zinc/63/46/49/372634649.db2.gz CNYLBGQCNMPGAD-PBHICJAKSA-N 1 0 285.391 3.092 50 0 CGAARO c1ccc(COC2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000244719093 189910039 /nfs/dbraw/zinc/91/00/39/189910039.db2.gz LWRXSGWPPGUFIK-KRWDZBQOSA-N 1 0 289.419 3.094 50 0 CGAARO CSCC1CC[NH+](CCCc2cccnc2)CC1 ZINC000244873470 189914537 /nfs/dbraw/zinc/91/45/37/189914537.db2.gz WQYGVSLHQRDSMW-UHFFFAOYSA-N 1 0 264.438 3.089 50 0 CGAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000175193537 373429276 /nfs/dbraw/zinc/42/92/76/373429276.db2.gz QJHUVBAVXLSDDN-UHFFFAOYSA-N 1 0 283.375 3.415 50 0 CGAARO Clc1ccccc1[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000299784241 373611434 /nfs/dbraw/zinc/61/14/34/373611434.db2.gz WOIZRMWHEQFNRO-ZDUSSCGKSA-N 1 0 275.783 3.026 50 0 CGAARO Cc1ccn(CC[N@@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000299784589 373612662 /nfs/dbraw/zinc/61/26/62/373612662.db2.gz MLAUHXMNJODCSN-MRXNPFEDSA-N 1 0 255.365 3.029 50 0 CGAARO CN(C)CC[NH2+][C@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000299804088 373614403 /nfs/dbraw/zinc/61/44/03/373614403.db2.gz YDAVDXJOYCFEOX-SFHVURJKSA-N 1 0 296.414 3.328 50 0 CGAARO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000077453852 541912146 /nfs/dbraw/zinc/91/21/46/541912146.db2.gz YMIRHQISEPXSAM-ZBFHGGJFSA-N 1 0 284.407 3.326 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)c1ccncc1 ZINC000090712491 541963292 /nfs/dbraw/zinc/96/32/92/541963292.db2.gz VMKLSZBMXAUXNE-COXVUDFISA-N 1 0 282.387 3.262 50 0 CGAARO Cc1cnc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000334213503 206202361 /nfs/dbraw/zinc/20/23/61/206202361.db2.gz SFQLLULCEMLRTO-CQSZACIVSA-N 1 0 287.794 3.428 50 0 CGAARO Clc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)o1 ZINC000335944966 375559887 /nfs/dbraw/zinc/55/98/87/375559887.db2.gz NMXUVIRKYOCSRI-UHFFFAOYSA-N 1 0 269.772 3.326 50 0 CGAARO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccnc(N)c1 ZINC000193349858 375865251 /nfs/dbraw/zinc/86/52/51/375865251.db2.gz CIBPRFHGXLLEAZ-BBRMVZONSA-N 1 0 267.376 3.042 50 0 CGAARO Cn1cc(C[N@H+](C)Cc2ccccc2-c2ccco2)cn1 ZINC000214960230 376144283 /nfs/dbraw/zinc/14/42/83/376144283.db2.gz WPIYSNIJXSKPLE-UHFFFAOYSA-N 1 0 281.359 3.312 50 0 CGAARO CC[N@H+](CC[C@@H](C)c1ccc(C)o1)CCn1cccn1 ZINC000216316378 376160717 /nfs/dbraw/zinc/16/07/17/376160717.db2.gz HSNMFEGLOPJITA-CQSZACIVSA-N 1 0 275.396 3.300 50 0 CGAARO COCCn1ccnc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000216404364 376163881 /nfs/dbraw/zinc/16/38/81/376163881.db2.gz ZAUSGDQIFCHDPR-QGZVFWFLSA-N 1 0 299.418 3.039 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)C2 ZINC000230191114 376492884 /nfs/dbraw/zinc/49/28/84/376492884.db2.gz XZOVXEARMQFIAA-WNRNVDISSA-N 1 0 283.415 3.091 50 0 CGAARO CCC[C@H](C)C[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000242302421 376780610 /nfs/dbraw/zinc/78/06/10/376780610.db2.gz YSLHUAYHDOFJAK-YDHLFZDLSA-N 1 0 255.402 3.134 50 0 CGAARO CN(Cc1cncn1C1CC1)[C@@H](c1ccccn1)C1CC1 ZINC000252488282 377631301 /nfs/dbraw/zinc/63/13/01/377631301.db2.gz IOMLOUUQBHNVFY-QGZVFWFLSA-N 1 0 282.391 3.196 50 0 CGAARO COCc1ccc(NC(=O)Nc2ccnc(C)c2)cc1 ZINC000252492579 377633339 /nfs/dbraw/zinc/63/33/39/377633339.db2.gz MPPWKQGTBNLPTN-UHFFFAOYSA-N 1 0 271.320 3.180 50 0 CGAARO C[C@@H](c1cccs1)[N@H+](C)CCc1cscn1 ZINC000253415713 377688934 /nfs/dbraw/zinc/68/89/34/377688934.db2.gz LOXVOZWALZBTHP-JTQLQIEISA-N 1 0 252.408 3.440 50 0 CGAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000257185725 377795502 /nfs/dbraw/zinc/79/55/02/377795502.db2.gz XONBDEIHGCEYRC-OAHLLOKOSA-N 1 0 299.374 3.139 50 0 CGAARO C[NH+](C)[C@@H](CNC(=O)c1ccoc1)c1cc2ccccc2o1 ZINC000575619533 377922226 /nfs/dbraw/zinc/92/22/26/377922226.db2.gz GUTZOEBGJZUQJK-AWEZNQCLSA-N 1 0 298.342 3.059 50 0 CGAARO OC[C@]1(F)CC[N@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000343972779 378147607 /nfs/dbraw/zinc/14/76/07/378147607.db2.gz OWDJZBXUMJSLHP-KRWDZBQOSA-N 1 0 277.383 3.251 50 0 CGAARO C[N@H+](Cc1ccc(C2CCCC2)cc1)C1(CO)CC1 ZINC000343973639 378148558 /nfs/dbraw/zinc/14/85/58/378148558.db2.gz POBCZKMKQJXJPB-UHFFFAOYSA-N 1 0 259.393 3.301 50 0 CGAARO Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000269284165 378202388 /nfs/dbraw/zinc/20/23/88/378202388.db2.gz RMOWZNCKGFHQRQ-PMPSAXMXSA-N 1 0 288.435 3.074 50 0 CGAARO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCc1ccncc1C ZINC000583651237 378338765 /nfs/dbraw/zinc/33/87/65/378338765.db2.gz JFBZDNNDPASLQZ-XOBRGWDASA-N 1 0 298.367 3.245 50 0 CGAARO OCC[N@H+](CCCc1cncc2ccccc21)C1CCC1 ZINC000408525493 380015666 /nfs/dbraw/zinc/01/56/66/380015666.db2.gz IVGMFKCEMHRBIO-UHFFFAOYSA-N 1 0 284.403 3.014 50 0 CGAARO CC[C@@]1(C)C[C@@](CC[NH3+])(c2ccccc2OC)CCO1 ZINC000000171730 169563136 /nfs/dbraw/zinc/56/31/36/169563136.db2.gz PIZPJDAJWPLXFJ-IRXDYDNUSA-N 1 0 277.408 3.261 50 0 biogenic CGAARO CCOC(=O)[C@H]1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1 ZINC000000757067 391910019 /nfs/dbraw/zinc/91/00/19/391910019.db2.gz YWLKZPFADZUVNW-JGUIRARASA-N 1 0 291.435 3.086 50 0 CGAARO CC(C)c1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774649 391987272 /nfs/dbraw/zinc/98/72/72/391987272.db2.gz XGLRIHIVZNLDRC-NSHDSACASA-N 1 0 284.197 3.313 50 0 CGAARO CC(C)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000021987169 391941833 /nfs/dbraw/zinc/94/18/33/391941833.db2.gz XBJBGNSWTQKKHP-UHFFFAOYSA-N 1 0 297.240 3.227 50 0 CGAARO O=C(Cn1ccnc1)OC(c1ccccc1)c1ccccc1 ZINC000033869638 391972994 /nfs/dbraw/zinc/97/29/94/391972994.db2.gz GKPDOTOQYSCFOP-UHFFFAOYSA-N 1 0 292.338 3.216 50 0 CGAARO CC(C)CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000065622185 392149997 /nfs/dbraw/zinc/14/99/97/392149997.db2.gz DFJBNAAAJVCGPH-CYBMUJFWSA-N 1 0 283.437 3.129 50 0 CGAARO Cc1cccc(C(C)C)c1NC(=O)N1CCC[N@H+](C)CC1 ZINC000095460822 392242752 /nfs/dbraw/zinc/24/27/52/392242752.db2.gz XWYWWBBFRADQDY-UHFFFAOYSA-N 1 0 289.423 3.288 50 0 CGAARO CCC(=O)N1CCC[N@@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000072579292 392208422 /nfs/dbraw/zinc/20/84/22/392208422.db2.gz QPPNDOUHTVYPSN-OAHLLOKOSA-N 1 0 274.408 3.000 50 0 CGAARO CCC(=O)N1CCC[N@@H+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000096414829 392251508 /nfs/dbraw/zinc/25/15/08/392251508.db2.gz ZARGTUAHZCUGEF-MRXNPFEDSA-N 1 0 292.398 3.221 50 0 CGAARO Cc1cc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)nc(C)n1 ZINC000106831072 392308721 /nfs/dbraw/zinc/30/87/21/392308721.db2.gz MXNGTIKJIIBAGA-CZUORRHYSA-N 1 0 283.375 3.060 50 0 CGAARO Cc1ccc(-c2cc3c(c(F)c2)O[C@H](C[NH3+])C3)cc1F ZINC000299785674 392581050 /nfs/dbraw/zinc/58/10/50/392581050.db2.gz NFMIJXZIRFABQF-ZDUSSCGKSA-N 1 0 275.298 3.202 50 0 CGAARO Cc1cc(N2CCO[C@@H](c3cccc(F)c3)C2)cc[nH+]1 ZINC000185992970 392776885 /nfs/dbraw/zinc/77/68/85/392776885.db2.gz JYLDOAKUWFSICD-MRXNPFEDSA-N 1 0 272.323 3.107 50 0 CGAARO CC(C)Cc1ccc(CN2CC[C@@H]([NH+](C)C)C2)s1 ZINC000216527381 392991004 /nfs/dbraw/zinc/99/10/04/392991004.db2.gz BAEOSHJXNIKGAN-CYBMUJFWSA-N 1 0 266.454 3.083 50 0 CGAARO Cc1cccc([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)c1 ZINC000216532645 392991333 /nfs/dbraw/zinc/99/13/33/392991333.db2.gz DLFYRDUPPQQGHF-MRXNPFEDSA-N 1 0 269.392 3.108 50 0 CGAARO C[NH2+]Cc1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000216474540 392991392 /nfs/dbraw/zinc/99/13/92/392991392.db2.gz DOWSMGOECBJLCZ-UHFFFAOYSA-N 1 0 282.334 3.170 50 0 CGAARO COc1cccc(N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000004980299 134652574 /nfs/dbraw/zinc/65/25/74/134652574.db2.gz WPVOPFMOQURPMZ-UHFFFAOYSA-N 1 0 288.435 3.396 50 0 CGAARO CC(C)(O)[C@H]1CC[N@H+](Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670447794 543155779 /nfs/dbraw/zinc/15/57/79/543155779.db2.gz PQMQXUYCZIZANL-NSHDSACASA-N 1 0 292.810 3.414 50 0 CGAARO Cc1ccc([C@@H](C)CC[N@H+](C)CC2(CO)CCC2)o1 ZINC000670469364 543156395 /nfs/dbraw/zinc/15/63/95/543156395.db2.gz RVUBWYTZBODADE-ZDUSSCGKSA-N 1 0 265.397 3.176 50 0 CGAARO C[N@H+](Cc1cc(F)c(F)cc1F)CC1(CO)CCCC1 ZINC000670452183 543155323 /nfs/dbraw/zinc/15/53/23/543155323.db2.gz HKICROYGUIMHCS-UHFFFAOYSA-N 1 0 287.325 3.088 50 0 CGAARO C[N@H+](CC[C@H]1CCOC1)Cc1ccc2ncccc2c1 ZINC000670453903 543155366 /nfs/dbraw/zinc/15/53/66/543155366.db2.gz AVZXCMNNILYALQ-AWEZNQCLSA-N 1 0 270.376 3.093 50 0 CGAARO Cc1cc(C)nc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000670450454 543155499 /nfs/dbraw/zinc/15/54/99/543155499.db2.gz YLVALMUIQNKADQ-HNNXBMFYSA-N 1 0 285.366 3.222 50 0 CGAARO C[N@H+](CC[C@@H]1CCOC1)Cc1cc(-c2ccccc2)on1 ZINC000670447993 543155545 /nfs/dbraw/zinc/15/55/45/543155545.db2.gz XYGBXIWFIAEZEN-CQSZACIVSA-N 1 0 286.375 3.200 50 0 CGAARO CC(C)CCN1CC[N@@H+](C2CCCCCC2)C[C@H]1CCO ZINC000104532765 397650361 /nfs/dbraw/zinc/65/03/61/397650361.db2.gz WKWDWLWYLCDSQF-GOSISDBHSA-N 1 0 296.499 3.124 50 0 CGAARO COc1ccc(/[NH+]=c2/ccc3ccccc3n2C)cc1 ZINC000100848090 397644223 /nfs/dbraw/zinc/64/42/23/397644223.db2.gz SWSYACSQDKOCPG-ZCXUNETKSA-N 1 0 264.328 3.419 50 0 CGAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(C)cc1Cl ZINC000002825071 169835521 /nfs/dbraw/zinc/83/55/21/169835521.db2.gz GDAGSMSSCCREMI-ZDUSSCGKSA-N 1 0 285.815 3.432 50 0 CGAARO CCCC[NH2+]CCCOc1ccccc1OCC ZINC000002931321 169844602 /nfs/dbraw/zinc/84/46/02/169844602.db2.gz KHNWVBMZPILZER-UHFFFAOYSA-N 1 0 251.370 3.244 50 0 CGAARO CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[C@@H](C)CC ZINC000004264055 169950858 /nfs/dbraw/zinc/95/08/58/169950858.db2.gz LNMPSDGTOGKSRR-KKUMJFAQSA-N 1 0 279.424 3.328 50 0 CGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000004723927 170006174 /nfs/dbraw/zinc/00/61/74/170006174.db2.gz ZDGNCMRZZKMUPL-LLVKDONJSA-N 1 0 292.206 3.075 50 0 CGAARO OCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942915 170043700 /nfs/dbraw/zinc/04/37/00/170043700.db2.gz TZWNUAFSYANNFB-UHFFFAOYSA-N 1 0 286.158 3.335 50 0 CGAARO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000004993230 170051309 /nfs/dbraw/zinc/05/13/09/170051309.db2.gz JLAYHQZRQPWOJW-UHFFFAOYSA-N 1 0 278.355 3.126 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccs2)c(OC)c1 ZINC000005019301 170056633 /nfs/dbraw/zinc/05/66/33/170056633.db2.gz NZJDFRJSOWSOAX-UHFFFAOYSA-N 1 0 263.362 3.055 50 0 CGAARO Cc1ccc2c(C[NH+]3CCCCC3)cc(=O)oc2c1C ZINC000005216316 170077204 /nfs/dbraw/zinc/07/72/04/170077204.db2.gz BBZDVNGYXPAOHO-UHFFFAOYSA-N 1 0 271.360 3.396 50 0 biogenic CGAARO C[N@@H+]1CCc2ccc(O)cc2[C@H](c2ccccc2)C1 ZINC000005966958 170163783 /nfs/dbraw/zinc/16/37/83/170163783.db2.gz DNNMNDDMPUSDQC-KRWDZBQOSA-N 1 0 253.345 3.012 50 0 CGAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1 ZINC000006004340 170167074 /nfs/dbraw/zinc/16/70/74/170167074.db2.gz QCHCKOLOQOXTEJ-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006306006 170189648 /nfs/dbraw/zinc/18/96/48/170189648.db2.gz KJKVFCKVEKUSBD-KRWDZBQOSA-N 1 0 299.414 3.481 50 0 CGAARO COc1ccc2c(c1)c(/C=C/c1cc[n+](C)cc1)c(C)n2C ZINC000006719165 170231985 /nfs/dbraw/zinc/23/19/85/170231985.db2.gz UWUHWZKVZSNIOB-UHFFFAOYSA-N 1 0 293.390 3.490 50 0 CGAARO CC[C@H](C)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000006728975 170234131 /nfs/dbraw/zinc/23/41/31/170234131.db2.gz DACUVBKYXDHFGO-ZDUSSCGKSA-N 1 0 289.423 3.416 50 0 CGAARO C[NH+](C)CCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000007004808 170261205 /nfs/dbraw/zinc/26/12/05/170261205.db2.gz OWSNUUWZYRMBCB-UHFFFAOYSA-N 1 0 298.415 3.332 50 0 CGAARO C[C@H](C(=O)Nc1ccccc1F)[NH+]1CCCCCC1 ZINC000007378097 170281019 /nfs/dbraw/zinc/28/10/19/170281019.db2.gz FLVPWMROJNKXNQ-GFCCVEGCSA-N 1 0 264.344 3.029 50 0 CGAARO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000008119198 170319844 /nfs/dbraw/zinc/31/98/44/170319844.db2.gz PPFFWUJNBPZPTP-AWEZNQCLSA-N 1 0 290.407 3.288 50 0 CGAARO CC[NH2+]Cc1cccc(OCCOc2ccccc2)c1 ZINC000019738115 170851409 /nfs/dbraw/zinc/85/14/09/170851409.db2.gz AJVSEJQOXMJKJK-UHFFFAOYSA-N 1 0 271.360 3.254 50 0 CGAARO C[C@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000020168128 171040756 /nfs/dbraw/zinc/04/07/56/171040756.db2.gz GQHHYJDZVGBDKK-KBPBESRZSA-N 1 0 281.371 3.094 50 0 CGAARO Brc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000020221702 171083005 /nfs/dbraw/zinc/08/30/05/171083005.db2.gz NVHMKQUMJJVSFS-LBPRGKRZSA-N 1 0 284.197 3.360 50 0 CGAARO Cc1ccsc1CN(C)C(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000020326643 171150987 /nfs/dbraw/zinc/15/09/87/171150987.db2.gz PUNUFTOTAFICKT-CYBMUJFWSA-N 1 0 294.464 3.137 50 0 CGAARO CC[NH+]1CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000020390498 171179762 /nfs/dbraw/zinc/17/97/62/171179762.db2.gz LSLFASTZNKAIHC-UHFFFAOYSA-N 1 0 284.856 3.070 50 0 CGAARO C[NH+](C)CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000020598255 171266173 /nfs/dbraw/zinc/26/61/73/171266173.db2.gz CYEBWXMOCCTZFD-UHFFFAOYSA-N 1 0 298.415 3.235 50 0 CGAARO Cc1cccc(NC(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000022144140 171355854 /nfs/dbraw/zinc/35/58/54/171355854.db2.gz JMGHBGDVNXGGGH-UHFFFAOYSA-N 1 0 255.321 3.098 50 0 CGAARO c1ccc([C@H]([NH2+]C[C@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174616 172027478 /nfs/dbraw/zinc/02/74/78/172027478.db2.gz LFXVBZGVFLLDLM-MSOLQXFVSA-N 1 0 282.387 3.330 50 0 CGAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccncc1 ZINC000036657732 172644852 /nfs/dbraw/zinc/64/48/52/172644852.db2.gz ATZYUMNZROIABB-UHFFFAOYSA-N 1 0 283.350 3.343 50 0 CGAARO O=C(Nc1ccccc1-c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000037032803 172901179 /nfs/dbraw/zinc/90/11/79/172901179.db2.gz YQNHWVAIGLKVSR-ZDUSSCGKSA-N 1 0 272.373 3.106 50 0 CGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(C)CC1 ZINC000037248742 173061359 /nfs/dbraw/zinc/06/13/59/173061359.db2.gz NSFNKJKDMCIFLI-VNQPRFMTSA-N 1 0 252.446 3.131 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2ccsc21 ZINC000037375136 173164336 /nfs/dbraw/zinc/16/43/36/173164336.db2.gz ZABQJMGNYFRHBP-LBPRGKRZSA-N 1 0 290.436 3.368 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)Nc1cccs1)c1cccs1 ZINC000038629256 174149718 /nfs/dbraw/zinc/14/97/18/174149718.db2.gz MBJURROMFCNLDU-SNVBAGLBSA-N 1 0 295.433 3.234 50 0 CGAARO Brc1ccc(CC[NH+]2CCCC2)cc1 ZINC000038881140 174158730 /nfs/dbraw/zinc/15/87/30/174158730.db2.gz DCFGTROCEYJRAO-UHFFFAOYSA-N 1 0 254.171 3.087 50 0 CGAARO CSc1ccc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000048364970 175430642 /nfs/dbraw/zinc/43/06/42/175430642.db2.gz GGCQQFJNKKKDJQ-UHFFFAOYSA-N 1 0 294.464 3.035 50 0 CGAARO COc1ccc2c(Nc3ccc(C(N)=O)cc3)cc[nH+]c2c1 ZINC000054202375 175555539 /nfs/dbraw/zinc/55/55/39/175555539.db2.gz LTQCRZISKPECJC-UHFFFAOYSA-N 1 0 293.326 3.086 50 0 biogenic CGAARO Cc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000067851133 175797639 /nfs/dbraw/zinc/79/76/39/175797639.db2.gz JINBRXJAVTXTAC-UHFFFAOYSA-N 1 0 269.348 3.173 50 0 CGAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2F)CC1 ZINC000069563309 175839209 /nfs/dbraw/zinc/83/92/09/175839209.db2.gz BWCAQVSZKHCNJM-UHFFFAOYSA-N 1 0 293.386 3.164 50 0 CGAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000071375720 176140550 /nfs/dbraw/zinc/14/05/50/176140550.db2.gz HLZWJDHGAIUOEQ-SECBINFHSA-N 1 0 287.190 3.274 50 0 CGAARO Cc1nccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071419339 176160615 /nfs/dbraw/zinc/16/06/15/176160615.db2.gz OYJBKJSVHQEPOO-INIZCTEOSA-N 1 0 297.402 3.232 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(F)c3cccnc23)c1 ZINC000071874922 176284606 /nfs/dbraw/zinc/28/46/06/176284606.db2.gz SLBPCKLROUSDRY-CYBMUJFWSA-N 1 0 298.365 3.057 50 0 CGAARO c1cc2ccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2[nH]1 ZINC000072152151 176327501 /nfs/dbraw/zinc/32/75/01/176327501.db2.gz CECSEVYSFIBBIE-MRXNPFEDSA-N 1 0 292.386 3.249 50 0 CGAARO CC[C@H]1CN(Cc2cccc(F)c2C)CC[N@@H+]1C(C)C ZINC000072169840 176332158 /nfs/dbraw/zinc/33/21/58/176332158.db2.gz POACFCZITUWCPN-INIZCTEOSA-N 1 0 278.415 3.439 50 0 CGAARO CCNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000072289611 176361301 /nfs/dbraw/zinc/36/13/01/176361301.db2.gz ITPFJMHKZSRBNH-ZBFHGGJFSA-N 1 0 291.439 3.071 50 0 CGAARO CS[C@@H](C)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000216462327 416520571 /nfs/dbraw/zinc/52/05/71/416520571.db2.gz UFHHUZQWAFHGRO-LBPRGKRZSA-N 1 0 250.411 3.188 50 0 CGAARO c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676724 543858214 /nfs/dbraw/zinc/85/82/14/543858214.db2.gz DTCOQFMHFPHCRR-GJZGRUSLSA-N 1 0 289.423 3.081 50 0 CGAARO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249399818 287619981 /nfs/dbraw/zinc/61/99/81/287619981.db2.gz UQNYWAMMVLXULL-BJDJZHNGSA-N 1 0 294.361 3.000 50 0 CGAARO CC(C)CC[N@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000032804059 260146066 /nfs/dbraw/zinc/14/60/66/260146066.db2.gz SHOCPZKBPOOTIH-UHFFFAOYSA-N 1 0 275.352 3.340 50 0 CGAARO COC[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000020534293 262247544 /nfs/dbraw/zinc/24/75/44/262247544.db2.gz SXFZLGKZAJZCJZ-AWEZNQCLSA-N 1 0 267.800 3.241 50 0 CGAARO CC(=O)c1cc(C[N@H+](CCO)C2CCCCC2)cs1 ZINC000215021152 262338336 /nfs/dbraw/zinc/33/83/36/262338336.db2.gz FENTURVBGJJNDG-UHFFFAOYSA-N 1 0 281.421 3.078 50 0 CGAARO C[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccccc2O1 ZINC000015001966 274355667 /nfs/dbraw/zinc/35/56/67/274355667.db2.gz IYSYEILZOPXXHL-CQSZACIVSA-N 1 0 253.345 3.470 50 0 CGAARO c1ccc2c(c1)-c1ccccc1C2[NH+]1CCOCC1 ZINC000023466418 275069110 /nfs/dbraw/zinc/06/91/10/275069110.db2.gz VGSRSMWQKGZBCF-UHFFFAOYSA-N 1 0 251.329 3.089 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000026307737 275493056 /nfs/dbraw/zinc/49/30/56/275493056.db2.gz RXWOTTCTEGTVDU-KRWDZBQOSA-N 1 0 296.370 3.258 50 0 CGAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1nccn1C(F)F ZINC000097098535 275910187 /nfs/dbraw/zinc/91/01/87/275910187.db2.gz FJIWBWQJRIOODX-NEPJUHHUSA-N 1 0 269.339 3.360 50 0 CGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000016662850 276320092 /nfs/dbraw/zinc/32/00/92/276320092.db2.gz ZMKYMXIBXXOKJB-INIZCTEOSA-N 1 0 280.456 3.147 50 0 CGAARO CC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@H]1CCCO1 ZINC000097035057 276587162 /nfs/dbraw/zinc/58/71/62/276587162.db2.gz VCGPBNRDPPYQHL-WCQYABFASA-N 1 0 288.313 3.148 50 0 CGAARO C[NH+](C)[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159224301 276831954 /nfs/dbraw/zinc/83/19/54/276831954.db2.gz NKIRZUOPXVEJJL-GFCCVEGCSA-N 1 0 291.345 3.043 50 0 CGAARO COc1ccc(Br)cc1[C@H]1CCCC[NH2+]1 ZINC000003734672 277870039 /nfs/dbraw/zinc/87/00/39/277870039.db2.gz BJLLFGJZHAQELM-LLVKDONJSA-N 1 0 270.170 3.272 50 0 CGAARO CC(C)c1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775551 278041813 /nfs/dbraw/zinc/04/18/13/278041813.db2.gz KXFRKOLWQUNVEL-UHFFFAOYSA-N 1 0 291.464 3.191 50 0 CGAARO Cc1c[nH]c(C[NH2+][C@@H](C)CCc2ccccc2)c(C)c1=O ZINC000534652974 328338184 /nfs/dbraw/zinc/33/81/84/328338184.db2.gz GWKROBLNCUJBHJ-AWEZNQCLSA-N 1 0 284.403 3.103 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1sc(CC)nc1C ZINC000534654439 328339106 /nfs/dbraw/zinc/33/91/06/328339106.db2.gz CFBIPQVKOIIEED-SECBINFHSA-N 1 0 258.456 3.245 50 0 CGAARO CCC(CC)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027664239 326878574 /nfs/dbraw/zinc/87/85/74/326878574.db2.gz VUTCCVAQFVJLHL-CQSZACIVSA-N 1 0 294.464 3.437 50 0 CGAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000195558644 336056197 /nfs/dbraw/zinc/05/61/97/336056197.db2.gz UNJRFYAESCTNGR-LNSITVRQSA-N 1 0 293.794 3.080 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000055029591 518761103 /nfs/dbraw/zinc/76/11/03/518761103.db2.gz JHUSMJHDLXXVJT-NSHDSACASA-N 1 0 262.180 3.415 50 0 CGAARO CN(C)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000019872338 521788512 /nfs/dbraw/zinc/78/85/12/521788512.db2.gz ZWRUGJMQKYDOJC-UHFFFAOYSA-N 1 0 278.783 3.251 50 0 CGAARO c1ccc2c(c1)SCC[C@H]2[NH2+]CCOC[C@@H]1CCCO1 ZINC000096477722 526512274 /nfs/dbraw/zinc/51/22/74/526512274.db2.gz FAJLAJSMCIZKJZ-DZGCQCFKSA-N 1 0 293.432 3.009 50 0 CGAARO CC(C)(C)c1ccc(CC[NH2+][C@H]2CCc3n[nH]cc3C2)cc1 ZINC000368214204 526774058 /nfs/dbraw/zinc/77/40/58/526774058.db2.gz DUXRUAKIAUNKIK-KRWDZBQOSA-N 1 0 297.446 3.397 50 0 CGAARO C[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000033640301 570404889 /nfs/dbraw/zinc/40/48/89/570404889.db2.gz YZPVTFSJDLMIEM-OAHLLOKOSA-N 1 0 296.414 3.109 50 0 CGAARO CN(CC[NH+](C)C)Cc1cccc(Oc2ccccc2)c1 ZINC000023114834 618677716 /nfs/dbraw/zinc/67/77/16/618677716.db2.gz CJLPCMQMADBTSO-UHFFFAOYSA-N 1 0 284.403 3.472 50 0 CGAARO c1cc2cccc(-c3cccc(N4CC[NH2+]CC4)n3)c2s1 ZINC000019642037 619402945 /nfs/dbraw/zinc/40/29/45/619402945.db2.gz IDZFTNONHHLHJE-UHFFFAOYSA-N 1 0 295.411 3.373 50 0 CGAARO CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000169781515 623058703 /nfs/dbraw/zinc/05/87/03/623058703.db2.gz KVAMJMSNGKOGAY-GOSISDBHSA-N 1 0 292.467 3.147 50 0 CGAARO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000172250272 623234456 /nfs/dbraw/zinc/23/44/56/623234456.db2.gz WKNVZQPHWOGYFH-GFCCVEGCSA-N 1 0 275.352 3.342 50 0 CGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000952992139 636777397 /nfs/dbraw/zinc/77/73/97/636777397.db2.gz XNIVUMYAOONRGN-UHFFFAOYSA-N 1 0 299.418 3.026 50 0 CGAARO C/C=C/C=C/C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000089597895 640651393 /nfs/dbraw/zinc/65/13/93/640651393.db2.gz VCRFODCARUXABP-RJZLBLBSSA-N 1 0 286.419 3.146 50 0 CGAARO O=C(Nc1cccc2ccccc21)N[C@H]1C[NH+]2CCC1CC2 ZINC000000371485 640922694 /nfs/dbraw/zinc/92/26/94/640922694.db2.gz IKADEPQOPOIEBP-KRWDZBQOSA-N 1 0 295.386 3.056 50 0 CGAARO OC1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000757041 640927692 /nfs/dbraw/zinc/92/76/92/640927692.db2.gz JIQWHZDKMLSVGA-UHFFFAOYSA-N 1 0 259.393 3.170 50 0 CGAARO O[C@H](C[NH2+]CCc1ccccc1)c1ccccc1Cl ZINC000032122137 798848508 /nfs/dbraw/zinc/84/85/08/798848508.db2.gz RBBGZTYZSUBFHK-MRXNPFEDSA-N 1 0 275.779 3.206 50 0 CGAARO O=C(CC1CCCC1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581788266 799674113 /nfs/dbraw/zinc/67/41/13/799674113.db2.gz ZBLZKYYRPGBDDE-KRWDZBQOSA-N 1 0 292.467 3.291 50 0 CGAARO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nnc(-c2ccccc2)s1 ZINC000823727316 800469010 /nfs/dbraw/zinc/46/90/10/800469010.db2.gz CXXBVTYWXIRZJV-CHWSQXEVSA-N 1 0 288.420 3.100 50 0 CGAARO CC(C)=CC[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000952868956 800684890 /nfs/dbraw/zinc/68/48/90/800684890.db2.gz CJRWEHWDOONOCC-UHFFFAOYSA-N 1 0 250.430 3.341 50 0 CGAARO CC(C)C1CC[NH+](C2CSCCSC2)CC1 ZINC001506397772 937989511 /nfs/dbraw/zinc/98/95/11/937989511.db2.gz YRCLYMHPNRCCRE-UHFFFAOYSA-N 1 0 259.484 3.203 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC001506398789 937989548 /nfs/dbraw/zinc/98/95/48/937989548.db2.gz GCHNBGMAJWBNNW-ZDUSSCGKSA-N 1 0 291.826 3.320 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]Cc1cccc(SC)c1 ZINC001506406587 937989949 /nfs/dbraw/zinc/98/99/49/937989949.db2.gz LUNBHRNYYPTWBZ-ZDUSSCGKSA-N 1 0 289.448 3.346 50 0 CGAARO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000005578637 230369631 /nfs/dbraw/zinc/36/96/31/230369631.db2.gz ZGBITCLDOGNTLC-AEFFLSMTSA-N 1 0 299.414 3.394 50 0 CGAARO Cc1ccc(NC(=O)c2cccnc2C)c(C[NH+](C)C)c1 ZINC000095991077 185058304 /nfs/dbraw/zinc/05/83/04/185058304.db2.gz LILBWZUSIVLJKW-UHFFFAOYSA-N 1 0 283.375 3.012 50 0 CGAARO Cc1ccc(F)cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000096140372 185105455 /nfs/dbraw/zinc/10/54/55/185105455.db2.gz BIOFONNSSOMZKM-CQSZACIVSA-N 1 0 293.386 3.082 50 0 CGAARO C[C@H](COc1ccc(F)cc1)[NH2+][C@H](C)c1ccncc1 ZINC000097032668 185155867 /nfs/dbraw/zinc/15/58/67/185155867.db2.gz GPXJGQCQQHVPIO-CHWSQXEVSA-N 1 0 274.339 3.339 50 0 CGAARO CCc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)o1 ZINC000097016886 529721791 /nfs/dbraw/zinc/72/17/91/529721791.db2.gz TUZHPILDFNZIBB-LRDDRELGSA-N 1 0 289.375 3.235 50 0 CGAARO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000002616016 169815465 /nfs/dbraw/zinc/81/54/65/169815465.db2.gz SRBPNJWNLGDQQE-INIZCTEOSA-N 1 0 275.779 3.206 50 0 CGAARO C[NH2+]CCCCOc1c(C)cc(Br)cc1C ZINC000002845038 529962369 /nfs/dbraw/zinc/96/23/69/529962369.db2.gz CNRLFBXFXVZZAQ-UHFFFAOYSA-N 1 0 286.213 3.444 50 0 CGAARO C[NH+](C)CCCSc1nc2ccccc2s1 ZINC000003218117 169869065 /nfs/dbraw/zinc/86/90/65/169869065.db2.gz IOOWIZSEDXJROR-UHFFFAOYSA-N 1 0 252.408 3.340 50 0 CGAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c(C)c1C ZINC000002472551 344856971 /nfs/dbraw/zinc/85/69/71/344856971.db2.gz RFEIBZXVSJHQEB-BPQIPLTHSA-N 1 0 289.419 3.268 50 0 CGAARO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCCC2)CCS1 ZINC000072305005 345408722 /nfs/dbraw/zinc/40/87/22/345408722.db2.gz TYUOTQBZHAMQAJ-ZFWWWQNUSA-N 1 0 298.496 3.041 50 0 CGAARO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCCCC2)CCS1 ZINC000072305004 345408826 /nfs/dbraw/zinc/40/88/26/345408826.db2.gz TYUOTQBZHAMQAJ-DZGCQCFKSA-N 1 0 298.496 3.041 50 0 CGAARO c1cn(-c2ncccc2C[NH2+]C2CCCCCC2)cn1 ZINC000078908973 345624611 /nfs/dbraw/zinc/62/46/11/345624611.db2.gz LQUOEYIJOBYUIC-UHFFFAOYSA-N 1 0 270.380 3.080 50 0 CGAARO Cc1cc(C)n(C[C@H]2CCC[N@H+]2[C@H](C)c2cccnc2)n1 ZINC000106843698 345933366 /nfs/dbraw/zinc/93/33/66/345933366.db2.gz YGPOTJIDBWROFQ-NVXWUHKLSA-N 1 0 284.407 3.121 50 0 CGAARO C[C@@H]([NH2+]C1(CO)CC1)c1ccc(SC(F)F)cc1 ZINC000170068523 346193460 /nfs/dbraw/zinc/19/34/60/346193460.db2.gz JNZRGORRYQIERW-SECBINFHSA-N 1 0 273.348 3.177 50 0 CGAARO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000170607487 346194915 /nfs/dbraw/zinc/19/49/15/346194915.db2.gz UHVIJHIHMJUMTK-JONQDZQNSA-N 1 0 293.451 3.224 50 0 CGAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(NC(C)=O)CC1 ZINC000170616044 346195538 /nfs/dbraw/zinc/19/55/38/346195538.db2.gz IAWPWQDTWDRQRB-OAHLLOKOSA-N 1 0 280.456 3.360 50 0 CGAARO O=C(O[C@H]1CCN(CCF)C1)c1ccc2ccccc2c1 ZINC000170617267 346195667 /nfs/dbraw/zinc/19/56/67/346195667.db2.gz SXJMNJQVUDUZFB-INIZCTEOSA-N 1 0 287.334 3.040 50 0 CGAARO CCOC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC000170646249 346196256 /nfs/dbraw/zinc/19/62/56/346196256.db2.gz ZUHXKZGISHJAHG-HNNXBMFYSA-N 1 0 282.428 3.167 50 0 CGAARO Nc1cccc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC000097634913 185641616 /nfs/dbraw/zinc/64/16/16/185641616.db2.gz NXUCGJFSOSBKRI-UHFFFAOYSA-N 1 0 267.376 3.317 50 0 CGAARO C[NH2+]CCCC(=O)N[C@@H](c1cc(C)sc1C)C(C)C ZINC000195543470 346273341 /nfs/dbraw/zinc/27/33/41/346273341.db2.gz SFJFFCNQRQGXSI-OAHLLOKOSA-N 1 0 282.453 3.178 50 0 CGAARO CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccc(O)cc1)CCC2 ZINC000195575975 346274790 /nfs/dbraw/zinc/27/47/90/346274790.db2.gz 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278.352 3.177 50 0 CGAARO CCCc1ccc(OCC2CC[NH2+]CC2)c(OC)c1 ZINC000042782939 369232598 /nfs/dbraw/zinc/23/25/98/369232598.db2.gz LHKSHNHNQATOJI-UHFFFAOYSA-N 1 0 263.381 3.026 50 0 CGAARO CC(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042770789 369230921 /nfs/dbraw/zinc/23/09/21/369230921.db2.gz AJLYFAJGOKXRCR-LLVKDONJSA-N 1 0 253.773 3.452 50 0 CGAARO Clc1ccc(COCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042771972 369231442 /nfs/dbraw/zinc/23/14/42/369231442.db2.gz IQCXFOUEEAYSNA-GFCCVEGCSA-N 1 0 253.773 3.246 50 0 CGAARO Cc1noc(C2C[NH+](Cc3cccc4ccccc43)C2)n1 ZINC000049482658 369403662 /nfs/dbraw/zinc/40/36/62/369403662.db2.gz AGSPPBLOCMRCTJ-UHFFFAOYSA-N 1 0 279.343 3.131 50 0 CGAARO c1ccc([C@@H]2CCN(CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600902 369441933 /nfs/dbraw/zinc/44/19/33/369441933.db2.gz NVNMABOONBOTMC-MRXNPFEDSA-N 1 0 258.409 3.008 50 0 CGAARO CCCOc1ccccc1OCC[NH2+]CCC(C)C ZINC000053568021 369484784 /nfs/dbraw/zinc/48/47/84/369484784.db2.gz AHAUDCWAIVCUTF-UHFFFAOYSA-N 1 0 265.397 3.490 50 0 CGAARO CC[NH+](CC)CCCNCc1cccc(Cl)c1 ZINC000057364358 369536709 /nfs/dbraw/zinc/53/67/09/369536709.db2.gz IWRQENNACKYQTN-UHFFFAOYSA-N 1 0 254.805 3.162 50 0 CGAARO CCc1oc(C(=O)N2CC=CCC2)cc1C[NH+](CC)CC ZINC000055414276 369516706 /nfs/dbraw/zinc/51/67/06/369516706.db2.gz MVTQRVFMXDXRSU-UHFFFAOYSA-N 1 0 290.407 3.086 50 0 CGAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc(OC)nc1 ZINC000055576478 369520364 /nfs/dbraw/zinc/52/03/64/369520364.db2.gz XBFNODGJMUCOBM-AWEZNQCLSA-N 1 0 285.391 3.286 50 0 CGAARO Oc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000057681524 369545004 /nfs/dbraw/zinc/54/50/04/369545004.db2.gz KWYMUFDXOHWFJH-UHFFFAOYSA-N 1 0 296.414 3.146 50 0 CGAARO CC(C)C[N@H+](Cc1csc(-c2cnn(C)c2)n1)C1CC1 ZINC000060467530 369588516 /nfs/dbraw/zinc/58/85/16/369588516.db2.gz OWUDKMJEQMYNKW-UHFFFAOYSA-N 1 0 290.436 3.164 50 0 CGAARO CN(C)[C@H](C[NH2+]Cc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000062705774 369629042 /nfs/dbraw/zinc/62/90/42/369629042.db2.gz WIOYGSDXGBPAMP-CYBMUJFWSA-N 1 0 298.308 3.089 50 0 CGAARO 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CC(C)c1cccc(-c2ccc(F)c3c2O[C@@H](C[NH3+])C3)n1 ZINC000067847617 369732452 /nfs/dbraw/zinc/73/24/52/369732452.db2.gz ZAWJXZVBZZZCSX-LLVKDONJSA-N 1 0 286.350 3.273 50 0 CGAARO Oc1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1 ZINC000071770883 369810676 /nfs/dbraw/zinc/81/06/76/369810676.db2.gz RADHUYUUBOPPDK-OAHLLOKOSA-N 1 0 298.386 3.235 50 0 CGAARO Cc1ccc([C@H](CNc2ccc3cc[nH]c3n2)[NH+](C)C)o1 ZINC000072424661 369819341 /nfs/dbraw/zinc/81/93/41/369819341.db2.gz ZYWDBZHBDIBHCV-ZDUSSCGKSA-N 1 0 284.363 3.179 50 0 CGAARO CCn1cc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(C)cc2)cn1 ZINC000072746687 369837450 /nfs/dbraw/zinc/83/74/50/369837450.db2.gz TYVFBOLKDXOCLJ-MSOLQXFVSA-N 1 0 299.418 3.221 50 0 CGAARO c1cn(C2CC[NH+](CCSc3ccccc3)CC2)cn1 ZINC000075140770 369897151 /nfs/dbraw/zinc/89/71/51/369897151.db2.gz KDKZTZROSCBAFU-UHFFFAOYSA-N 1 0 287.432 3.312 50 0 CGAARO COC[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219882 370015935 /nfs/dbraw/zinc/01/59/35/370015935.db2.gz SOYXHBHAWYWKAU-QMMMGPOBSA-N 1 0 292.604 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296.418 3.424 50 0 CGAARO C[N@H+](Cc1cccnc1)C1CCN(c2cccc(F)c2)CC1 ZINC000095407508 370183598 /nfs/dbraw/zinc/18/35/98/370183598.db2.gz PBDPOQUNCUFQEQ-UHFFFAOYSA-N 1 0 299.393 3.322 50 0 CGAARO CC[N@H+](CCc1nccs1)Cc1cccs1 ZINC000093764483 370158230 /nfs/dbraw/zinc/15/82/30/370158230.db2.gz OVSTWHPKSDBZCI-UHFFFAOYSA-N 1 0 252.408 3.269 50 0 CGAARO Cc1cccc(NCCc2cc(F)cc3c2OCOC3)[nH+]1 ZINC000097096660 370224991 /nfs/dbraw/zinc/22/49/91/370224991.db2.gz MCJMTUKDPQMGIM-UHFFFAOYSA-N 1 0 288.322 3.050 50 0 CGAARO Cc1nnc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)n1C1CC1 ZINC000097110008 370226146 /nfs/dbraw/zinc/22/61/46/370226146.db2.gz XVPMPDGTNJZDNM-CHWSQXEVSA-N 1 0 284.407 3.203 50 0 CGAARO Cn1cc(C2CC[NH+](Cc3cccc(F)c3F)CC2)cn1 ZINC000097203375 370232496 /nfs/dbraw/zinc/23/24/96/370232496.db2.gz SBDGZSFPFQOLFA-UHFFFAOYSA-N 1 0 291.345 3.078 50 0 CGAARO COc1ccc(C[NH+]2CC(c3cccnc3)C2)c(C)c1C ZINC000097217671 370234109 /nfs/dbraw/zinc/23/41/09/370234109.db2.gz ZKGYTAUVLLZCNU-UHFFFAOYSA-N 1 0 282.387 3.306 50 0 CGAARO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)[C@H]1CCCO1 ZINC000097374171 370239457 /nfs/dbraw/zinc/23/94/57/370239457.db2.gz LHCKUCWQWUNERY-GXFFZTMASA-N 1 0 278.377 3.060 50 0 CGAARO Cc1nccn1CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000097532571 370244847 /nfs/dbraw/zinc/24/48/47/370244847.db2.gz MLIZAUQGTMPKGT-UHFFFAOYSA-N 1 0 297.324 3.342 50 0 CGAARO C[N@H+](Cc1cccnc1)C(C)(C)c1ccc2c(c1)OCO2 ZINC000095431562 370192626 /nfs/dbraw/zinc/19/26/26/370192626.db2.gz ZGOWYZGLIJXGHO-UHFFFAOYSA-N 1 0 284.359 3.177 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@H](CCO)C2CCCCC2)s1 ZINC000095448792 370195381 /nfs/dbraw/zinc/19/53/81/370195381.db2.gz RUOGBGAWNXDSDC-CQSZACIVSA-N 1 0 282.453 3.181 50 0 CGAARO CC(C)(C[NH2+]Cc1ccccc1CO)c1ccccc1 ZINC000095460049 370198909 /nfs/dbraw/zinc/19/89/09/370198909.db2.gz BMBYLPKWWJMYBQ-UHFFFAOYSA-N 1 0 269.388 3.246 50 0 CGAARO [NH3+]C1CCC(Sc2nnc(-c3ccccc3)o2)CC1 ZINC000095908628 370201573 /nfs/dbraw/zinc/20/15/73/370201573.db2.gz VYNIANKZMPPWAC-UHFFFAOYSA-N 1 0 275.377 3.099 50 0 CGAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000119054229 370640652 /nfs/dbraw/zinc/64/06/52/370640652.db2.gz MOPNOADIDKIPBU-DLBZAZTESA-N 1 0 298.434 3.015 50 0 CGAARO O[C@@H](c1ccccc1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000170088115 372634213 /nfs/dbraw/zinc/63/42/13/372634213.db2.gz GGCOLRVNUCERRM-MSOLQXFVSA-N 1 0 289.419 3.001 50 0 CGAARO COc1ccc(C[NH2+]C2CC2)cc1OCc1ccco1 ZINC000299763034 373609502 /nfs/dbraw/zinc/60/95/02/373609502.db2.gz GCBOAVTYTYAOTN-UHFFFAOYSA-N 1 0 273.332 3.119 50 0 CGAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000085334397 541936671 /nfs/dbraw/zinc/93/66/71/541936671.db2.gz HOYWQDUDOWLMHA-AEFFLSMTSA-N 1 0 297.329 3.320 50 0 CGAARO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCCO2 ZINC000183580178 374430080 /nfs/dbraw/zinc/43/00/80/374430080.db2.gz WRFDNLSNORLXSU-ZMSDIMECSA-N 1 0 287.403 3.044 50 0 CGAARO C[N@H+](CCc1ccncc1)Cc1cccc2[nH]ccc21 ZINC000183760418 374454040 /nfs/dbraw/zinc/45/40/40/374454040.db2.gz 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/nfs/dbraw/zinc/14/98/01/376149801.db2.gz HGMPKFGHGQHFTQ-JTQLQIEISA-N 1 0 294.449 3.156 50 0 CGAARO COc1ccc(CN(C)[C@H](C)c2c(C)n[nH]c2C)c(F)c1 ZINC000215616255 376150926 /nfs/dbraw/zinc/15/09/26/376150926.db2.gz BBDXTTZHALVWRC-GFCCVEGCSA-N 1 0 291.370 3.367 50 0 CGAARO CCCn1ncc(C[N@@H+]2CCC[C@]3(CCCO3)CC2)c1C ZINC000215822961 376152263 /nfs/dbraw/zinc/15/22/63/376152263.db2.gz ZDFBGLFOADTADO-KRWDZBQOSA-N 1 0 291.439 3.137 50 0 CGAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000216121308 376158975 /nfs/dbraw/zinc/15/89/75/376158975.db2.gz MPISRMZQXBKXDA-CQSZACIVSA-N 1 0 281.371 3.225 50 0 CGAARO COC[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 ZINC000216392643 376164351 /nfs/dbraw/zinc/16/43/51/376164351.db2.gz AUOBPQRGFVZVGI-AWEZNQCLSA-N 1 0 271.763 3.480 50 0 CGAARO C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCC2(C)C)C[C@@H](C)O1 ZINC000221893555 376222847 /nfs/dbraw/zinc/22/28/47/376222847.db2.gz XALMIQUSRCSBKI-OAGGEKHMSA-N 1 0 282.472 3.044 50 0 CGAARO COCC[N@@H+](Cc1ccc2cc(F)ccc2n1)CC1CC1 ZINC000222464258 376234957 /nfs/dbraw/zinc/23/49/57/376234957.db2.gz NGDRANOKOWXECB-UHFFFAOYSA-N 1 0 288.366 3.232 50 0 CGAARO CC[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[C@@H](O)C1 ZINC000222662432 376240727 /nfs/dbraw/zinc/24/07/27/376240727.db2.gz FXCCEKPJTXIRRN-OBJOEFQTSA-N 1 0 256.349 3.196 50 0 CGAARO COCCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000225478880 376312644 /nfs/dbraw/zinc/31/26/44/376312644.db2.gz QYFDZOOEKVERHL-NSHDSACASA-N 1 0 291.420 3.201 50 0 CGAARO Cc1cn2c(n1)CC[C@H]([NH2+]Cc1sccc1Cl)C2 ZINC000225609806 376318596 /nfs/dbraw/zinc/31/85/96/376318596.db2.gz OAYCPUKIINHEGW-JTQLQIEISA-N 1 0 281.812 3.011 50 0 CGAARO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000236597502 376668871 /nfs/dbraw/zinc/66/88/71/376668871.db2.gz KMGDHEPTKSETCA-AWEZNQCLSA-N 1 0 267.332 3.323 50 0 CGAARO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC[NH3+] ZINC000236924968 376712832 /nfs/dbraw/zinc/71/28/32/376712832.db2.gz SMFHPMAQISHRLI-UHFFFAOYSA-N 1 0 289.206 3.081 50 0 CGAARO CC[C@H]([NH2+]CCSC(C)C)c1c(C)nn(C)c1C ZINC000241213423 376776126 /nfs/dbraw/zinc/77/61/26/376776126.db2.gz KOQQWPDGOGYLQY-ZDUSSCGKSA-N 1 0 269.458 3.219 50 0 CGAARO Cc1nc(CC[N@H+](C)CC[C@@H](O)c2ccccc2)cs1 ZINC000244887811 376798962 /nfs/dbraw/zinc/79/89/62/376798962.db2.gz YOZSEXPPPOJLGB-MRXNPFEDSA-N 1 0 290.432 3.050 50 0 CGAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245492704 376829122 /nfs/dbraw/zinc/82/91/22/376829122.db2.gz JZTOUSNJJMRQCO-WFASDCNBSA-N 1 0 293.386 3.020 50 0 CGAARO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910196 377108506 /nfs/dbraw/zinc/10/85/06/377108506.db2.gz WJRSGSYBZSRAQR-KFWWJZLASA-N 1 0 287.407 3.190 50 0 CGAARO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000248743973 377393320 /nfs/dbraw/zinc/39/33/20/377393320.db2.gz RRERBEUAHDSFNS-QMGNLALYSA-N 1 0 292.448 3.368 50 0 CGAARO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248748007 377394538 /nfs/dbraw/zinc/39/45/38/377394538.db2.gz BKQGSYWXCGUGTO-KBRIMQKVSA-N 1 0 259.393 3.337 50 0 CGAARO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)Cn1ccnc1 ZINC000249284504 377487123 /nfs/dbraw/zinc/48/71/23/377487123.db2.gz OUPKWFSLEXWTCY-JHJVBQTASA-N 1 0 289.345 3.230 50 0 CGAARO Cc1nnc(C[N@H+](CCC2=CCCCC2)CC2CC2)o1 ZINC000252482164 377627201 /nfs/dbraw/zinc/62/72/01/377627201.db2.gz CZVPBUSXMPRPBF-UHFFFAOYSA-N 1 0 275.396 3.481 50 0 CGAARO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cccs2)cc1 ZINC000253416453 377691009 /nfs/dbraw/zinc/69/10/09/377691009.db2.gz DOIMPAVXGWRFRV-INIZCTEOSA-N 1 0 290.432 3.149 50 0 CGAARO CC(C)[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000057007 169520876 /nfs/dbraw/zinc/52/08/76/169520876.db2.gz ILABSMRKFLZNPK-SJORKVTESA-N 1 0 255.361 3.459 50 0 CGAARO CO[C@H]1CC[C@@H]([NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000408518878 380015919 /nfs/dbraw/zinc/01/59/19/380015919.db2.gz GWSUDIAXIRBSJG-SJORKVTESA-N 1 0 287.403 3.149 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)OC[C@]1(C)CC1(Cl)Cl ZINC000408525574 380015988 /nfs/dbraw/zinc/01/59/88/380015988.db2.gz DBYVTCJOGRAULO-JQWIXIFHSA-N 1 0 296.238 3.125 50 0 CGAARO NC(=[NH2+])c1ccc(-c2ccncc2)cc1C(F)(F)F ZINC000408525970 380016271 /nfs/dbraw/zinc/01/62/71/380016271.db2.gz RHDJETZMUQUJAZ-UHFFFAOYSA-N 1 0 265.238 3.051 50 0 CGAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000000351442 169614510 /nfs/dbraw/zinc/61/45/10/169614510.db2.gz BCDUKYOLZBEARP-KRWDZBQOSA-N 1 0 291.435 3.083 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)[C@H]1CCc2cc3ccccc3nc21 ZINC000071771782 184575146 /nfs/dbraw/zinc/57/51/46/184575146.db2.gz AERLBXXSNSSCBZ-ZBFHGGJFSA-N 1 0 284.403 3.014 50 0 CGAARO Oc1ccccc1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000097228331 285397573 /nfs/dbraw/zinc/39/75/73/285397573.db2.gz FODVBGKXLDJHIR-INIZCTEOSA-N 1 0 271.335 3.351 50 0 CGAARO Cc1ccc(O[C@@H](C)CC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000022064964 391943833 /nfs/dbraw/zinc/94/38/33/391943833.db2.gz GJFRILIBKQXQBC-CVEARBPZSA-N 1 0 277.408 3.263 50 0 CGAARO Cc1ccc(O[C@H](C)CC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000022064968 391944779 /nfs/dbraw/zinc/94/47/79/391944779.db2.gz GJFRILIBKQXQBC-HZPDHXFCSA-N 1 0 277.408 3.263 50 0 CGAARO Cc1ccccc1C[NH2+][C@@H](Cn1cncn1)c1ccccc1 ZINC000096403864 392248728 /nfs/dbraw/zinc/24/87/28/392248728.db2.gz GCUWNBHAVSEDGV-SFHVURJKSA-N 1 0 292.386 3.118 50 0 CGAARO COC[C@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000096492857 392256647 /nfs/dbraw/zinc/25/66/47/392256647.db2.gz LBCXRFPVYRYXTN-GJZGRUSLSA-N 1 0 277.408 3.157 50 0 CGAARO C[C@@H](CCn1cccn1)[NH2+]CCCn1ccc2ccccc21 ZINC000158544891 392570318 /nfs/dbraw/zinc/57/03/18/392570318.db2.gz RUCRNLZRSLNFJS-INIZCTEOSA-N 1 0 296.418 3.296 50 0 CGAARO CC1(C)C[C@@H]([NH2+]Cc2c[nH]c3ccccc23)CCO1 ZINC000215596171 392987034 /nfs/dbraw/zinc/98/70/34/392987034.db2.gz UUBZRPVUSLGJLM-ZDUSSCGKSA-N 1 0 258.365 3.215 50 0 CGAARO COCCCC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000215146189 392987843 /nfs/dbraw/zinc/98/78/43/392987843.db2.gz UMMMUUBVQVALLY-UHFFFAOYSA-N 1 0 295.398 3.473 50 0 CGAARO c1c(C[NH+]2CCC(OC3CCCC3)CC2)onc1C1CC1 ZINC000585094176 542768751 /nfs/dbraw/zinc/76/87/51/542768751.db2.gz MXESYAJXVSLLPG-UHFFFAOYSA-N 1 0 290.407 3.476 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnc3C)C2)o1 ZINC000670448392 543155771 /nfs/dbraw/zinc/15/57/71/543155771.db2.gz CBCFKJBBAUCHBT-HNNXBMFYSA-N 1 0 287.407 3.259 50 0 CGAARO Cc1cc(C[N@@H+](C)C2CCN(Cc3ccco3)CC2)ccn1 ZINC000670459801 543156307 /nfs/dbraw/zinc/15/63/07/543156307.db2.gz DDXIDXNDVATZDB-UHFFFAOYSA-N 1 0 299.418 3.079 50 0 CGAARO Cc1cccc2[nH]c(CC[N@H+](C)CC[C@H]3CC3(F)F)nc21 ZINC000670465626 543156631 /nfs/dbraw/zinc/15/66/31/543156631.db2.gz NNAWNYPQQRFBIP-LBPRGKRZSA-N 1 0 293.361 3.391 50 0 CGAARO CC[N@@H+]1CCCC[C@H]1CNc1nc(-c2ccccc2)no1 ZINC000674263123 543278417 /nfs/dbraw/zinc/27/84/17/543278417.db2.gz SZEPSZDWTYHRTD-AWEZNQCLSA-N 1 0 286.379 3.023 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)[NH2+]CC2 ZINC000019300581 286260941 /nfs/dbraw/zinc/26/09/41/286260941.db2.gz KWBPKDVQTDDUMU-KRWDZBQOSA-N 1 0 287.334 3.078 50 0 biogenic CGAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000245289685 286698212 /nfs/dbraw/zinc/69/82/12/286698212.db2.gz DLQYWZAKCHXTPJ-MEBFFEOJSA-N 1 0 269.454 3.064 50 0 CGAARO Cc1nc(C)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)s1 ZINC000075893144 165106257 /nfs/dbraw/zinc/10/62/57/165106257.db2.gz NDICNBIAONANRC-IUCAKERBSA-N 1 0 256.440 3.086 50 0 CGAARO CC(C)c1ccc(OCCCCCC[NH2+]CCO)cc1 ZINC000002898138 169842389 /nfs/dbraw/zinc/84/23/89/169842389.db2.gz LFTPQAMCLHWXIL-UHFFFAOYSA-N 1 0 279.424 3.331 50 0 CGAARO CC[NH+](CC)CCOCCOc1ccc(C)cc1Cl ZINC000002896195 169842592 /nfs/dbraw/zinc/84/25/92/169842592.db2.gz DBHFFYMZHBXNQW-UHFFFAOYSA-N 1 0 285.815 3.386 50 0 CGAARO O[C@]12CCCC[C@H]1[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000002944602 169845631 /nfs/dbraw/zinc/84/56/31/169845631.db2.gz XYHROWNMYDANFB-ZNMIVQPWSA-N 1 0 265.784 3.296 50 0 CGAARO C[C@H]1CCC[N@H+](CCCCOc2ccccc2C=O)C1 ZINC000004841763 170028349 /nfs/dbraw/zinc/02/83/49/170028349.db2.gz PACFARMCUDIMMP-HNNXBMFYSA-N 1 0 275.392 3.390 50 0 CGAARO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCCCC1 ZINC000004851835 170030091 /nfs/dbraw/zinc/03/00/91/170030091.db2.gz YIGFKEFULNCVMP-MRXNPFEDSA-N 1 0 285.387 3.065 50 0 CGAARO C/C(=C\c1ccccc1)C[N@@H+](C)C1CCN(C)CC1 ZINC000004987606 170049709 /nfs/dbraw/zinc/04/97/09/170049709.db2.gz KTNFWZCAMIPYSY-FYWRMAATSA-N 1 0 258.409 3.116 50 0 CGAARO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000004989376 170050223 /nfs/dbraw/zinc/05/02/23/170050223.db2.gz VPYIBXONAYEZTD-BETUJISGSA-N 1 0 263.381 3.182 50 0 CGAARO Cc1cc(C)c(OCC[NH+]2CCCC2)c(Cl)c1 ZINC000005023556 170057357 /nfs/dbraw/zinc/05/73/57/170057357.db2.gz ZYOMWRIOGWKUCN-UHFFFAOYSA-N 1 0 253.773 3.431 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000005513739 170106879 /nfs/dbraw/zinc/10/68/79/170106879.db2.gz ZTMMGFMRCFOHMR-UHFFFAOYSA-N 1 0 263.287 3.263 50 0 CGAARO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005559748 170113539 /nfs/dbraw/zinc/11/35/39/170113539.db2.gz INACUIBQMCMRKE-FUHWJXTLSA-N 1 0 299.414 3.394 50 0 CGAARO CCC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000005818915 170143246 /nfs/dbraw/zinc/14/32/46/170143246.db2.gz QVBOTMGSBYXVJQ-LLVKDONJSA-N 1 0 291.222 3.387 50 0 in-vitro CGAARO Brc1cccc(C[NH2+]C2CCCC2)c1 ZINC000005996154 170166085 /nfs/dbraw/zinc/16/60/85/170166085.db2.gz JMTIYRODMSTRMY-UHFFFAOYSA-N 1 0 254.171 3.481 50 0 CGAARO Cc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000006741335 170237380 /nfs/dbraw/zinc/23/73/80/170237380.db2.gz LITPOYHGPXVFFE-UHFFFAOYSA-N 1 0 295.814 3.256 50 0 CGAARO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000006938069 170256958 /nfs/dbraw/zinc/25/69/58/170256958.db2.gz MRJGMFDKWBKPDI-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO Cc1ccc(CSc2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000008039404 170315573 /nfs/dbraw/zinc/31/55/73/170315573.db2.gz BAJHZPQPJRWTKV-UHFFFAOYSA-N 1 0 289.404 3.137 50 0 CGAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000008727354 170349967 /nfs/dbraw/zinc/34/99/67/170349967.db2.gz FTYGKUVHBYFRFL-AWEZNQCLSA-N 1 0 286.419 3.201 50 0 CGAARO C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000009315200 170371398 /nfs/dbraw/zinc/37/13/98/170371398.db2.gz YMFNEQYNFBISCU-UHFFFAOYSA-N 1 0 294.398 3.178 50 0 CGAARO c1ccc2[nH]c(C[n+]3ccc4ccccc4c3)nc2c1 ZINC000013285052 170542353 /nfs/dbraw/zinc/54/23/53/170542353.db2.gz MMKGPPPEDDZOPR-UHFFFAOYSA-N 1 0 260.320 3.052 50 0 CGAARO COCCC[NH2+]C[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000019738586 170851320 /nfs/dbraw/zinc/85/13/20/170851320.db2.gz XGDVYWILSGQFFT-AWEZNQCLSA-N 1 0 279.424 3.378 50 0 CGAARO CN(C)C(C)(C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000020125664 171009181 /nfs/dbraw/zinc/00/91/81/171009181.db2.gz SQFJTTVKYAOHQX-UHFFFAOYSA-N 1 0 275.223 3.423 50 0 CGAARO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)CC1(C)CC1 ZINC000020137250 171024731 /nfs/dbraw/zinc/02/47/31/171024731.db2.gz YRSCHIPOHMIRSB-UHFFFAOYSA-N 1 0 277.799 3.491 50 0 CGAARO CC(C)C[C@@H](CNCc1ccc(F)cc1F)[NH+](C)C ZINC000020201095 171064817 /nfs/dbraw/zinc/06/48/17/171064817.db2.gz ZKIWUEKNXPFCBX-AWEZNQCLSA-N 1 0 270.367 3.031 50 0 CGAARO Cc1ccccc1OC1CC[NH+](CCc2ccccn2)CC1 ZINC000020513414 171231393 /nfs/dbraw/zinc/23/13/93/171231393.db2.gz WYUPLAPBLZKYQL-UHFFFAOYSA-N 1 0 296.414 3.476 50 0 CGAARO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000022687797 171395957 /nfs/dbraw/zinc/39/59/57/171395957.db2.gz YZDQOPQTXAPFLB-CQSZACIVSA-N 1 0 288.416 3.089 50 0 CGAARO CC[NH2+][C@H](c1cccnc1)c1ccc2c(c1)CCC2 ZINC000035551394 172258641 /nfs/dbraw/zinc/25/86/41/172258641.db2.gz GLJGVOUSCXFWPM-KRWDZBQOSA-N 1 0 252.361 3.269 50 0 CGAARO C[C@H](CO)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000035602791 172290543 /nfs/dbraw/zinc/29/05/43/172290543.db2.gz ZYLVNUQSDBHOQB-BDAKNGLRSA-N 1 0 298.180 3.227 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000036281667 172572955 /nfs/dbraw/zinc/57/29/55/172572955.db2.gz VICKNOJYQDZJFY-UHFFFAOYSA-N 1 0 286.350 3.116 50 0 CGAARO Cc1nc(-c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2)co1 ZINC000037508759 173242560 /nfs/dbraw/zinc/24/25/60/173242560.db2.gz XOZYTEGBRYIMEW-INIZCTEOSA-N 1 0 283.375 3.156 50 0 CGAARO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1Cl ZINC000038043582 174050721 /nfs/dbraw/zinc/05/07/21/174050721.db2.gz PNPBDHFNNWNTJN-RYUDHWBXSA-N 1 0 253.773 3.417 50 0 CGAARO OCC1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000038876615 174158306 /nfs/dbraw/zinc/15/83/06/174158306.db2.gz FAGXUVVRQOXTSQ-UHFFFAOYSA-N 1 0 255.361 3.044 50 0 CGAARO C[C@H]1CCCC[C@@]12NCC[NH+]=C2NC1CCCCCC1 ZINC000046153237 175393482 /nfs/dbraw/zinc/39/34/82/175393482.db2.gz LNHWJMWIWYDAME-WMLDXEAASA-N 1 0 277.456 3.249 50 0 biogenic CGAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1cccc(C)c1 ZINC000052136818 175532735 /nfs/dbraw/zinc/53/27/35/175532735.db2.gz QCOVACFIUDZZOT-UHFFFAOYSA-N 1 0 282.387 3.286 50 0 CGAARO CC(C)=C[C@H]1[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1(C)C ZINC000065522797 175746725 /nfs/dbraw/zinc/74/67/25/175746725.db2.gz MAKIAOUYPWNPJN-GJZGRUSLSA-N 1 0 292.467 3.215 50 0 CGAARO COc1nccnc1Oc1ccccc1C[NH+]1CCCCC1 ZINC000067803645 175793074 /nfs/dbraw/zinc/79/30/74/175793074.db2.gz BWZGKEHYGQHMGC-UHFFFAOYSA-N 1 0 299.374 3.263 50 0 CGAARO COc1ccc(F)c(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000067909859 175801436 /nfs/dbraw/zinc/80/14/36/175801436.db2.gz YTXZVWASOXXMSZ-UHFFFAOYSA-N 1 0 257.308 3.147 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000071212486 176084302 /nfs/dbraw/zinc/08/43/02/176084302.db2.gz FGCKBTSSXGCTNM-VIFPVBQESA-N 1 0 276.361 3.031 50 0 CGAARO Nc1cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c2cc[nH]c2n1 ZINC000072128208 176321003 /nfs/dbraw/zinc/32/10/03/176321003.db2.gz KZFKQMPIQUTYFU-HNNXBMFYSA-N 1 0 278.359 3.237 50 0 CGAARO c1cc(C[N@H+]2CCC[C@H](OCc3ccccn3)C2)cs1 ZINC000072150499 176326601 /nfs/dbraw/zinc/32/66/01/176326601.db2.gz WRLVAMLIZDWVPU-INIZCTEOSA-N 1 0 288.416 3.324 50 0 CGAARO c1ccc(COC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000072159475 176329647 /nfs/dbraw/zinc/32/96/47/176329647.db2.gz SJRMWAAJRAYTCO-UHFFFAOYSA-N 1 0 282.387 3.263 50 0 CGAARO COc1cc(-c2cccc3c2CC[NH2+]C3)cc(OC)c1OC ZINC000072165577 176331111 /nfs/dbraw/zinc/33/11/11/176331111.db2.gz WRSPKKRIHOFPOC-UHFFFAOYSA-N 1 0 299.370 3.025 50 0 CGAARO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)co1 ZINC000072410650 176398211 /nfs/dbraw/zinc/39/82/11/176398211.db2.gz YTSDTVYUHWXMEX-CYBMUJFWSA-N 1 0 296.374 3.239 50 0 CGAARO CC(C)=C[C@H]1[C@@H](C(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000048331856 416447404 /nfs/dbraw/zinc/44/74/04/416447404.db2.gz VSOVFAXFPZPMFS-HOTGVXAUSA-N 1 0 292.467 3.214 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1C[C@H]2CCN(c3ccccc3)[C@@H]2C1 ZINC000685945168 544110575 /nfs/dbraw/zinc/11/05/75/544110575.db2.gz LMTGWBHEPMICMK-CRAIPNDOSA-N 1 0 297.402 3.002 50 0 CGAARO COc1ccc(F)c(C[N@H+](C)CCC[C@@H]2CCCO2)c1 ZINC000215023355 262338736 /nfs/dbraw/zinc/33/87/36/262338736.db2.gz GNZKGWJILDJKPY-CQSZACIVSA-N 1 0 281.371 3.225 50 0 CGAARO CC(=O)Nc1ccc2c(c1)[C@@H]([NH+](C)C)c1ccccc1-2 ZINC000004759623 273494661 /nfs/dbraw/zinc/49/46/61/273494661.db2.gz ZHDGDMCGQFDHLP-KRWDZBQOSA-N 1 0 266.344 3.276 50 0 CGAARO COC(C[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21)OC ZINC000000200163 274012916 /nfs/dbraw/zinc/01/29/16/274012916.db2.gz GSXRCCZMEJMMRI-OAHLLOKOSA-N 1 0 288.391 3.062 50 0 biogenic CGAARO CC(=O)Nc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000017311469 275492248 /nfs/dbraw/zinc/49/22/48/275492248.db2.gz SRSLJARAORLQPD-UHFFFAOYSA-N 1 0 260.381 3.313 50 0 CGAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000095423631 276681312 /nfs/dbraw/zinc/68/13/12/276681312.db2.gz STYHYTLKJRDBJI-MPGHIAIKSA-N 1 0 271.470 3.379 50 0 CGAARO C[N@@H+]1CCC[C@@H](C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000226954 277053021 /nfs/dbraw/zinc/05/30/21/277053021.db2.gz DRVJGXWXKFWETK-GOSISDBHSA-N 1 0 281.399 3.264 50 0 CGAARO COC1(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)CCOCC1 ZINC000090650702 277469470 /nfs/dbraw/zinc/46/94/70/277469470.db2.gz CCVXUZIJMHKHPV-OAHLLOKOSA-N 1 0 295.810 3.113 50 0 CGAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1csc(C)n1 ZINC000110642604 278144524 /nfs/dbraw/zinc/14/45/24/278144524.db2.gz USSBERFJUZAGOK-NWDGAFQWSA-N 1 0 256.440 3.167 50 0 CGAARO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH3+] ZINC000035755549 279936771 /nfs/dbraw/zinc/93/67/71/279936771.db2.gz ZHBGUCITSZSMQV-WKEGUHRASA-N 1 0 258.184 3.191 50 0 CGAARO O=C(Nc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069221221 280039042 /nfs/dbraw/zinc/03/90/42/280039042.db2.gz NHEVIOPCNBYGLC-INIZCTEOSA-N 1 0 287.407 3.169 50 0 CGAARO c1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1ccccc1S2 ZINC000016696635 280491643 /nfs/dbraw/zinc/49/16/43/280491643.db2.gz JLOAJISUHPIQOX-UHFFFAOYSA-N 1 0 295.411 3.135 50 0 in-vitro CGAARO C[NH+](C)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000034925583 289062087 /nfs/dbraw/zinc/06/20/87/289062087.db2.gz MRKULDNGDDDXRZ-ZYANWLCNSA-N 1 0 258.203 3.034 50 0 CGAARO CO[C@@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000189717360 328301058 /nfs/dbraw/zinc/30/10/58/328301058.db2.gz YFIYUYZDWMNGDO-MRXNPFEDSA-N 1 0 270.376 3.154 50 0 CGAARO Clc1ccc(C2([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000534651534 328337454 /nfs/dbraw/zinc/33/74/54/328337454.db2.gz SMLHQVWSLHIRPH-CYBMUJFWSA-N 1 0 251.757 3.098 50 0 CGAARO c1ccc(CC2([NH2+]C3CSCCSC3)CC2)cc1 ZINC000534660485 328339477 /nfs/dbraw/zinc/33/94/77/328339477.db2.gz NSPWIXHLMURTQM-UHFFFAOYSA-N 1 0 279.474 3.200 50 0 CGAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c(C)c1C ZINC000022023005 326867743 /nfs/dbraw/zinc/86/77/43/326867743.db2.gz RFEIBZXVSJHQEB-RYQLBKOJSA-N 1 0 289.419 3.268 50 0 CGAARO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2F)no1 ZINC000097016604 533714966 /nfs/dbraw/zinc/71/49/66/533714966.db2.gz VZQRBDNNUWEAOW-NSHDSACASA-N 1 0 262.328 3.233 50 0 CGAARO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000195573452 336056628 /nfs/dbraw/zinc/05/66/28/336056628.db2.gz VYFBMCMTCUSDLM-DYEKYZERSA-N 1 0 267.800 3.146 50 0 CGAARO c1ccc(-c2ccccc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631641 501087548 /nfs/dbraw/zinc/08/75/48/501087548.db2.gz HDDIPSFJAPKSKI-OAHLLOKOSA-N 1 0 253.345 3.484 50 0 CGAARO C[C@@H](C[NH2+]C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000187623393 534054331 /nfs/dbraw/zinc/05/43/31/534054331.db2.gz BSWKJXQJFADSNZ-LBPRGKRZSA-N 1 0 266.816 3.127 50 0 CGAARO Cc1ccccc1C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000000472832 525065325 /nfs/dbraw/zinc/06/53/25/525065325.db2.gz PBSOUCOTCRAXQN-UHFFFAOYSA-N 1 0 283.371 3.284 50 0 CGAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000012304264 525902181 /nfs/dbraw/zinc/90/21/81/525902181.db2.gz JBIIMGYAWFAADR-MRXNPFEDSA-N 1 0 299.418 3.263 50 0 CGAARO CC(C)(C)c1ccc(CC[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000368214205 526773925 /nfs/dbraw/zinc/77/39/25/526773925.db2.gz DUXRUAKIAUNKIK-QGZVFWFLSA-N 1 0 297.446 3.397 50 0 CGAARO CC(C)(C)c1ccc([C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000097915399 526790078 /nfs/dbraw/zinc/79/00/78/526790078.db2.gz PXOOYHFTBVTTDY-MRXNPFEDSA-N 1 0 260.425 3.470 50 0 CGAARO CC(C)[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](O)c1ccccc1 ZINC000408516327 528590786 /nfs/dbraw/zinc/59/07/86/528590786.db2.gz HMJKCMMCJQTERA-RTBURBONSA-N 1 0 299.414 3.027 50 0 CGAARO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000117347109 618147452 /nfs/dbraw/zinc/14/74/52/618147452.db2.gz GBBGIPCLOAOSFZ-CYBMUJFWSA-N 1 0 295.814 3.184 50 0 CGAARO C[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1cccc(Cl)c1 ZINC000004845419 619215820 /nfs/dbraw/zinc/21/58/20/619215820.db2.gz CANACWMIUIUXRF-WFASDCNBSA-N 1 0 283.799 3.124 50 0 CGAARO CC(C)C(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000169791633 623058467 /nfs/dbraw/zinc/05/84/67/623058467.db2.gz HMHMXEUEYCYFQB-MRXNPFEDSA-N 1 0 280.456 3.146 50 0 CGAARO COc1ccccc1[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850425649 624195516 /nfs/dbraw/zinc/19/55/16/624195516.db2.gz OITIMJGAQLYTPD-JWDQPFGJSA-N 1 0 289.419 3.143 50 0 CGAARO c1coc(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000864091194 629767054 /nfs/dbraw/zinc/76/70/54/629767054.db2.gz PEUVZGWILZBGJL-OAHLLOKOSA-N 1 0 290.407 3.346 50 0 CGAARO C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820803343 632678846 /nfs/dbraw/zinc/67/88/46/632678846.db2.gz KGBJXTZKOGJTPL-NHYWBVRUSA-N 1 0 279.767 3.187 50 0 CGAARO CCOc1ccc([C@@H](CC)[NH2+]Cc2[nH]cnc2C)cc1 ZINC000952989749 636777218 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292.354 3.032 50 0 CGAARO COc1cccc2c1OC[C@H](C[NH2+]C1CCCCC1)C2 ZINC000095505954 185000741 /nfs/dbraw/zinc/00/07/41/185000741.db2.gz TVQOOHKXTUNFKT-ZDUSSCGKSA-N 1 0 275.392 3.169 50 0 CGAARO Cc1cnn([C@H]2CCC[N@H+](CCC(=O)c3ccccc3)C2)c1 ZINC000182243938 230395699 /nfs/dbraw/zinc/39/56/99/230395699.db2.gz CYJBIXKTXLMHIN-KRWDZBQOSA-N 1 0 297.402 3.101 50 0 CGAARO Clc1cccc(Cc2cnc([C@@H]3CCC[NH2+]C3)o2)c1 ZINC000096032182 185067169 /nfs/dbraw/zinc/06/71/69/185067169.db2.gz WIEBQJWKADOABN-GFCCVEGCSA-N 1 0 276.767 3.386 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@H](C)C[C@H](O)c2cccs2)s1 ZINC000097022845 185153841 /nfs/dbraw/zinc/15/38/41/185153841.db2.gz YPNKGURDQRSSJX-SKDRFNHKSA-N 1 0 296.461 3.423 50 0 CGAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000097657331 530052475 /nfs/dbraw/zinc/05/24/75/530052475.db2.gz OQNJYCNCCCLZIY-CYBMUJFWSA-N 1 0 299.777 3.085 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000037138395 344947714 /nfs/dbraw/zinc/94/77/14/344947714.db2.gz 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ZINC000090652607 180018818 /nfs/dbraw/zinc/01/88/18/180018818.db2.gz LUXOVOWBFGTIOH-ZBFHGGJFSA-N 1 0 289.419 3.329 50 0 CGAARO CS[C@H](C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090725479 180032874 /nfs/dbraw/zinc/03/28/74/180032874.db2.gz GWEGWPHTQHABPT-MNOVXSKESA-N 1 0 266.410 3.047 50 0 CGAARO OCc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000092121191 180328396 /nfs/dbraw/zinc/32/83/96/180328396.db2.gz HLWIFZNDWRGYJH-OAHLLOKOSA-N 1 0 289.350 3.118 50 0 CGAARO COCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000107145261 186160989 /nfs/dbraw/zinc/16/09/89/186160989.db2.gz GCOGCFAGBBKAFP-ZIAGYGMSSA-N 1 0 251.370 3.479 50 0 CGAARO CN1CCC([NH2+][C@@H]2CCCSc3ccccc32)CC1 ZINC000098020450 282711617 /nfs/dbraw/zinc/71/16/17/282711617.db2.gz XCFHUQXQGWDHNP-OAHLLOKOSA-N 1 0 276.449 3.297 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C(=O)CCC[NH3+])C1CC1 ZINC000153443643 188082778 /nfs/dbraw/zinc/08/27/78/188082778.db2.gz ASTZKPSQGZQSIA-LLVKDONJSA-N 1 0 280.799 3.131 50 0 CGAARO C[C@H](c1ccc2ccccc2c1)N(C(=O)CC[NH3+])C1CC1 ZINC000155457597 188207247 /nfs/dbraw/zinc/20/72/47/188207247.db2.gz GVQUBMWDMWJRTC-CYBMUJFWSA-N 1 0 282.387 3.241 50 0 CGAARO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000050268760 282910589 /nfs/dbraw/zinc/91/05/89/282910589.db2.gz OVMTXBDKVCLWTK-TUAOUCFPSA-N 1 0 263.303 3.390 50 0 CGAARO Fc1cccc(C=C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000408523415 283013104 /nfs/dbraw/zinc/01/31/04/283013104.db2.gz RMYTUHDMOIINBI-INIZCTEOSA-N 1 0 261.340 3.094 50 0 CGAARO CCOC(=O)C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000000239181 368321971 /nfs/dbraw/zinc/32/19/71/368321971.db2.gz PCUCRCLFAMVSBO-UHFFFAOYSA-N 1 0 275.392 3.079 50 0 CGAARO CCC[N@H+](CCO)Cc1cccc(Cl)c1Cl ZINC000000279033 368332303 /nfs/dbraw/zinc/33/23/03/368332303.db2.gz WUPGCIGXKGFKQZ-UHFFFAOYSA-N 1 0 262.180 3.198 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000000317184 368340695 /nfs/dbraw/zinc/34/06/95/368340695.db2.gz WLCZCODIFJSGEQ-IYBDPMFKSA-N 1 0 287.451 3.024 50 0 CGAARO O[C@H]1CCC[C@@]1([NH2+]Cc1ccccc1)c1ccccc1 ZINC000000337407 368343145 /nfs/dbraw/zinc/34/31/45/368343145.db2.gz SUUCMHHUDJQGKG-ZWKOTPCHSA-N 1 0 267.372 3.217 50 0 CGAARO Brc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000000360459 368348304 /nfs/dbraw/zinc/34/83/04/368348304.db2.gz PKJULMHMZYMJAH-UHFFFAOYSA-N 1 0 277.165 3.134 50 0 CGAARO CCOc1ccccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000798143 368394832 /nfs/dbraw/zinc/39/48/32/368394832.db2.gz IXSBXJAOUMNUOC-UHFFFAOYSA-N 1 0 290.451 3.484 50 0 CGAARO COc1ccc([C@@H](CCO)[NH+]2Cc3ccccc3C2)cc1 ZINC000001402318 368411959 /nfs/dbraw/zinc/41/19/59/368411959.db2.gz YRSWYBTYHXZIOW-GOSISDBHSA-N 1 0 283.371 3.135 50 0 CGAARO CC[NH+](CC)CCNC(=O)c1ccc(Cl)cc1Cl ZINC000001603460 368423719 /nfs/dbraw/zinc/42/37/19/368423719.db2.gz JOTWELCCNPXSSW-UHFFFAOYSA-N 1 0 289.206 3.065 50 0 CGAARO CCc1ccc2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000002117272 368447071 /nfs/dbraw/zinc/44/70/71/368447071.db2.gz SRSQPUKOLPPFOO-UHFFFAOYSA-N 1 0 271.360 3.341 50 0 biogenic CGAARO COc1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000002573285 368466111 /nfs/dbraw/zinc/46/61/11/368466111.db2.gz MYDCSSSAWBKWMO-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)c(OC)c1 ZINC000002573308 368466121 /nfs/dbraw/zinc/46/61/21/368466121.db2.gz RYBQDTJLXFWGGH-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO Cc1cc(C(C)(C)C)ccc1OCCOCC[NH+](C)C ZINC000002821861 368479478 /nfs/dbraw/zinc/47/94/78/368479478.db2.gz NFONARMHKBPZQE-UHFFFAOYSA-N 1 0 279.424 3.250 50 0 CGAARO COc1cccc(OCCCCC[NH+]2CCCC2)c1 ZINC000002880575 368483708 /nfs/dbraw/zinc/48/37/08/368483708.db2.gz YYHYMQMOCGBZDJ-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCc2ccccc2C1 ZINC000003683440 368517915 /nfs/dbraw/zinc/51/79/15/368517915.db2.gz CJSJGJXCOQSPIM-PBHICJAKSA-N 1 0 275.436 3.463 50 0 CGAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](OC(=O)c2ccccc2)C[C@@H]1C ZINC000004525061 368549886 /nfs/dbraw/zinc/54/98/86/368549886.db2.gz OCFLFQDQCLZABG-YCPHGPKFSA-N 1 0 275.392 3.351 50 0 CGAARO Cn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12 ZINC000008462887 368573729 /nfs/dbraw/zinc/57/37/29/368573729.db2.gz SXLIFQAPRQUQMO-UHFFFAOYSA-N 1 0 291.310 3.222 50 0 CGAARO CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010334822 368579947 /nfs/dbraw/zinc/57/99/47/368579947.db2.gz XZGPRAPALUPTEG-UHFFFAOYSA-N 1 0 274.408 3.201 50 0 CGAARO CC(C)[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000010436294 368582426 /nfs/dbraw/zinc/58/24/26/368582426.db2.gz HZNGDVJFACRRDI-LBPRGKRZSA-N 1 0 259.349 3.498 50 0 CGAARO CCOc1c(Cl)cc(C[NH2+][C@H](CC)CO)cc1Cl ZINC000010435755 368582480 /nfs/dbraw/zinc/58/24/80/368582480.db2.gz AZZGVGAQLDBKPS-SNVBAGLBSA-N 1 0 292.206 3.253 50 0 CGAARO CC[NH+](CC)CCCNCc1ccc(SC)cc1 ZINC000013734479 368664304 /nfs/dbraw/zinc/66/43/04/368664304.db2.gz QISSGZCKABHJRB-UHFFFAOYSA-N 1 0 266.454 3.230 50 0 CGAARO C[NH2+]Cc1nc2ccccc2n1CCOc1ccccc1C ZINC000012463138 368614255 /nfs/dbraw/zinc/61/42/55/368614255.db2.gz LHUNOCKFUMQLKI-UHFFFAOYSA-N 1 0 295.386 3.143 50 0 CGAARO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000012481474 368614685 /nfs/dbraw/zinc/61/46/85/368614685.db2.gz SHYZLGNMPFROMT-LLVKDONJSA-N 1 0 273.163 3.074 50 0 CGAARO CCCc1n(C)c2ccccc2[n+]1CC(=O)C(C)(C)C ZINC000012574772 368619689 /nfs/dbraw/zinc/61/96/89/368619689.db2.gz VTYCAYOEVYHPCQ-UHFFFAOYSA-N 1 0 273.400 3.034 50 0 CGAARO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013322741 368649609 /nfs/dbraw/zinc/64/96/09/368649609.db2.gz NKLOBGQKSLLZAC-UHFFFAOYSA-N 1 0 295.814 3.146 50 0 CGAARO c1csc(-c2noc(C[NH2+]C3CCCCC3)n2)c1 ZINC000016649147 368718831 /nfs/dbraw/zinc/71/88/31/368718831.db2.gz UVWKFACHYHVJCH-UHFFFAOYSA-N 1 0 263.366 3.220 50 0 CGAARO COc1cccc(NC(=O)[C@H](C)[NH2+]C2CCCCCC2)c1 ZINC000014196751 368678051 /nfs/dbraw/zinc/67/80/51/368678051.db2.gz MFGUQLOGXFDTEN-ZDUSSCGKSA-N 1 0 290.407 3.335 50 0 CGAARO Clc1cccc(OC[C@H]2CCC[NH2+]C2)c1Cl ZINC000014631162 368683223 /nfs/dbraw/zinc/68/32/23/368683223.db2.gz HFHOAPPVWYCDCO-VIFPVBQESA-N 1 0 260.164 3.372 50 0 CGAARO Brc1ccc2cc(O[C@H]3CC[NH2+]C3)ccc2c1 ZINC000014632268 368683769 /nfs/dbraw/zinc/68/37/69/368683769.db2.gz DCRVYRPEDHMFKP-AWEZNQCLSA-N 1 0 292.176 3.343 50 0 CGAARO CC(C)CCN1CC[C@H]([NH2+]C2CCCCC2)CCC1=O ZINC000014992880 368688192 /nfs/dbraw/zinc/68/81/92/368688192.db2.gz IHUAAXDVRRRELV-MRXNPFEDSA-N 1 0 280.456 3.336 50 0 CGAARO CCN(CC)CC[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000019636946 368760738 /nfs/dbraw/zinc/76/07/38/368760738.db2.gz UVPMHKWYOHYMCI-INIZCTEOSA-N 1 0 262.441 3.281 50 0 CGAARO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1OC ZINC000019421374 368751324 /nfs/dbraw/zinc/75/13/24/368751324.db2.gz PPSNIQNKMHWIIM-OAHLLOKOSA-N 1 0 277.751 3.405 50 0 CGAARO COc1cccc(CC[NH2+]Cc2c(F)cccc2F)c1 ZINC000019564602 368757096 /nfs/dbraw/zinc/75/70/96/368757096.db2.gz KAXAHEQYXOJICY-UHFFFAOYSA-N 1 0 277.314 3.306 50 0 CGAARO CN1CC[NH+](CCCCSc2ccc(Cl)cc2)CC1 ZINC000020118311 368803380 /nfs/dbraw/zinc/80/33/80/368803380.db2.gz CJKRUZWLJDZUMZ-UHFFFAOYSA-N 1 0 298.883 3.460 50 0 CGAARO Cc1c(Cl)ccc(OCCCCN2CC[NH2+]CC2)c1C ZINC000022942785 368814394 /nfs/dbraw/zinc/81/43/94/368814394.db2.gz UVSDUXSZFGDRBD-UHFFFAOYSA-N 1 0 296.842 3.021 50 0 CGAARO C[NH+](C)[C@H](CNC(=O)C1CCCCC1)c1cccs1 ZINC000023105598 368815603 /nfs/dbraw/zinc/81/56/03/368815603.db2.gz DGROKIHOBHPSGE-CYBMUJFWSA-N 1 0 280.437 3.047 50 0 CGAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000023283563 368819669 /nfs/dbraw/zinc/81/96/69/368819669.db2.gz KKBVINXNQHSXCL-AWEZNQCLSA-N 1 0 270.376 3.201 50 0 CGAARO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCCCC1 ZINC000025404807 368845491 /nfs/dbraw/zinc/84/54/91/368845491.db2.gz RHAZLCNUSFLNPF-CYBMUJFWSA-N 1 0 283.375 3.048 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2F)cc1OC ZINC000019912593 368782597 /nfs/dbraw/zinc/78/25/97/368782597.db2.gz BRDRIYJWSVLRCS-UHFFFAOYSA-N 1 0 289.350 3.175 50 0 CGAARO O[C@@]1(c2ccccc2)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000019923790 368786108 /nfs/dbraw/zinc/78/61/08/368786108.db2.gz GETWLPVVXVVUEZ-QZTJIDSGSA-N 1 0 267.372 3.217 50 0 CGAARO O=NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000031476592 368915261 /nfs/dbraw/zinc/91/52/61/368915261.db2.gz JRCPMCWNPCUSKS-UHFFFAOYSA-N 1 0 281.359 3.075 50 0 CGAARO O[C@H](C[NH2+]C1CCCCCC1)c1ccccc1F ZINC000032106729 368925341 /nfs/dbraw/zinc/92/53/41/368925341.db2.gz WJTZGFXACDFTBO-OAHLLOKOSA-N 1 0 251.345 3.172 50 0 CGAARO C[N@@H+](Cc1nc(-c2ccco2)no1)CC1CCCCC1 ZINC000032769956 368943950 /nfs/dbraw/zinc/94/39/50/368943950.db2.gz BYBCMZLNAISDFI-UHFFFAOYSA-N 1 0 275.352 3.342 50 0 CGAARO CC[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc(Cl)c1 ZINC000036921243 369038133 /nfs/dbraw/zinc/03/81/33/369038133.db2.gz QMWWISZWVPUWJI-CQSZACIVSA-N 1 0 263.772 3.314 50 0 CGAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000035009626 368987907 /nfs/dbraw/zinc/98/79/07/368987907.db2.gz ONINPYURHPLRND-LLVKDONJSA-N 1 0 280.799 3.002 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000037893445 369123619 /nfs/dbraw/zinc/12/36/19/369123619.db2.gz DTTZBRLOOMSTLC-NSHDSACASA-N 1 0 255.321 3.315 50 0 CGAARO CC[NH+](CC)CCn1cc(NC2CCCCCC2)cn1 ZINC000037786628 369113111 /nfs/dbraw/zinc/11/31/11/369113111.db2.gz NSKBJBLPLPAQBP-UHFFFAOYSA-N 1 0 278.444 3.360 50 0 CGAARO CC(C)N(C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C ZINC000040049897 369152259 /nfs/dbraw/zinc/15/22/59/369152259.db2.gz KEDHVAPQDUGUDD-QGZVFWFLSA-N 1 0 288.435 3.251 50 0 CGAARO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC000225639957 189760725 /nfs/dbraw/zinc/76/07/25/189760725.db2.gz YBAIOEPLEZOJGE-USXIJHARSA-N 1 0 285.435 3.242 50 0 CGAARO COc1ccc2[nH]cc(C[C@@H](C[NH3+])c3ccccc3)c2c1 ZINC000041436047 369185437 /nfs/dbraw/zinc/18/54/37/369185437.db2.gz QQWSSZGPLAFQKC-AWEZNQCLSA-N 1 0 280.371 3.462 50 0 CGAARO Fc1ccc(COCC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000042773941 369232531 /nfs/dbraw/zinc/23/25/31/369232531.db2.gz KUXOKTIFJLSVPW-CYBMUJFWSA-N 1 0 255.308 3.014 50 0 CGAARO CCc1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774812 369232602 /nfs/dbraw/zinc/23/26/02/369232602.db2.gz UYAUOBZCZWYPCI-LBPRGKRZSA-N 1 0 298.224 3.390 50 0 CGAARO O[C@@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000229804381 189802319 /nfs/dbraw/zinc/80/23/19/189802319.db2.gz KUYBDOWEEWZIMG-SOUVJXGZSA-N 1 0 265.784 3.296 50 0 biogenic CGAARO Cc1cccc(CN(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000055360548 369515385 /nfs/dbraw/zinc/51/53/85/369515385.db2.gz QLQZTGZTGLYZMH-UHFFFAOYSA-N 1 0 289.448 3.015 50 0 CGAARO CC[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058299338 369563150 /nfs/dbraw/zinc/56/31/50/369563150.db2.gz WTVDRYUFLSNQMS-KBPBESRZSA-N 1 0 294.464 3.122 50 0 CGAARO O=C(c1cccc(Cl)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058401328 369567574 /nfs/dbraw/zinc/56/75/74/369567574.db2.gz LNBZLJUFUSHZEQ-HNNXBMFYSA-N 1 0 292.810 3.040 50 0 CGAARO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000059931886 369583339 /nfs/dbraw/zinc/58/33/39/369583339.db2.gz ONCUGBITRRXBAY-LBPRGKRZSA-N 1 0 281.783 3.240 50 0 CGAARO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccccc1 ZINC000065385137 369671392 /nfs/dbraw/zinc/67/13/92/369671392.db2.gz OYSMMYROORETCC-UHFFFAOYSA-N 1 0 279.343 3.369 50 0 CGAARO CCC[N@H+](Cc1cccs1)Cc1ccc(=O)n(CC)c1 ZINC000065285970 369666961 /nfs/dbraw/zinc/66/69/61/369666961.db2.gz ZZTWFNGGHITBNB-UHFFFAOYSA-N 1 0 290.432 3.342 50 0 CGAARO CC[C@@H](c1nc(-c2ccc(F)c(F)c2)no1)[NH+](C)C ZINC000276497178 193357572 /nfs/dbraw/zinc/35/75/72/193357572.db2.gz WVVPBQRLWAIPSI-NSHDSACASA-N 1 0 267.279 3.028 50 0 CGAARO C[NH+](C)Cc1ccccc1Oc1ccc(F)c(CO)c1 ZINC000067563388 369720283 /nfs/dbraw/zinc/72/02/83/369720283.db2.gz RYIOXVCCRUWRKC-UHFFFAOYSA-N 1 0 275.323 3.172 50 0 CGAARO CCc1cnc(C)nc1N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000065533861 369682597 /nfs/dbraw/zinc/68/25/97/369682597.db2.gz OBRHOKPYCCIAGO-INIZCTEOSA-N 1 0 284.407 3.062 50 0 CGAARO Clc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065564145 369682821 /nfs/dbraw/zinc/68/28/21/369682821.db2.gz QAXQTJMEIVXCQD-OAHLLOKOSA-N 1 0 264.800 3.010 50 0 CGAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000066972343 369708711 /nfs/dbraw/zinc/70/87/11/369708711.db2.gz BQRHIGWYYVPRJW-WFASDCNBSA-N 1 0 288.416 3.467 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000069286914 369756342 /nfs/dbraw/zinc/75/63/42/369756342.db2.gz ROEOZYGKXYXQPX-OAHLLOKOSA-N 1 0 296.414 3.175 50 0 CGAARO Cc1c(C[N@H+](C)Cc2c[nH]c3ccc(C)cc23)cnn1C ZINC000067675405 369723936 /nfs/dbraw/zinc/72/39/36/369723936.db2.gz WMCOBVHPDWUPHV-UHFFFAOYSA-N 1 0 282.391 3.150 50 0 CGAARO Cc1ccc(C)c(CC(=O)Nc2cnc3n2CCCC3)c1 ZINC000067714793 369726298 /nfs/dbraw/zinc/72/62/98/369726298.db2.gz MXRBAJCBABDSIW-UHFFFAOYSA-N 1 0 283.375 3.017 50 0 CGAARO O=C(NCC1=CCCCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000067872393 369733620 /nfs/dbraw/zinc/73/36/20/369733620.db2.gz DAUXRIASFYQGCN-UHFFFAOYSA-N 1 0 288.391 3.106 50 0 CGAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000071790093 369811849 /nfs/dbraw/zinc/81/18/49/369811849.db2.gz GAYNMYZCQZOPDY-GFCCVEGCSA-N 1 0 271.282 3.030 50 0 CGAARO c1ncn(C[C@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)n1 ZINC000071875102 369813010 /nfs/dbraw/zinc/81/30/10/369813010.db2.gz VWPVAXNWDSIRGT-MAUKXSAKSA-N 1 0 296.418 3.068 50 0 CGAARO Cc1ccccc1OC1CC[NH+](Cc2cccnc2N)CC1 ZINC000072458207 369820678 /nfs/dbraw/zinc/82/06/78/369820678.db2.gz PDJMXEDMDZNZGP-UHFFFAOYSA-N 1 0 297.402 3.016 50 0 CGAARO CCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000069917371 369775276 /nfs/dbraw/zinc/77/52/76/369775276.db2.gz KIAAVHGAKYUDNA-AWEZNQCLSA-N 1 0 289.354 3.346 50 0 CGAARO c1csc(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000072980249 369845945 /nfs/dbraw/zinc/84/59/45/369845945.db2.gz PUFHXANHWKSQMD-HNNXBMFYSA-N 1 0 288.416 3.324 50 0 CGAARO Clc1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000075154704 369896931 /nfs/dbraw/zinc/89/69/31/369896931.db2.gz OZIYJCWICVTBAO-UHFFFAOYSA-N 1 0 289.810 3.449 50 0 CGAARO Cc1cccc(NC2CC[NH+](CCCCCCO)CC2)c1 ZINC000079325487 369966882 /nfs/dbraw/zinc/96/68/82/369966882.db2.gz DUGFJRUJUJXDIJ-UHFFFAOYSA-N 1 0 290.451 3.424 50 0 CGAARO c1ccc([C@@H](C[NH+]2CCCCC2)NCc2cccnc2)cc1 ZINC000075943901 369922593 /nfs/dbraw/zinc/92/25/93/369922593.db2.gz NGNLNCWMUSWJSD-LJQANCHMSA-N 1 0 295.430 3.398 50 0 CGAARO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC000076108342 369930745 /nfs/dbraw/zinc/93/07/45/369930745.db2.gz SETVYWFEEWSKOM-QZTJIDSGSA-N 1 0 282.387 3.170 50 0 CGAARO Cc1nc(CC[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000089712389 370045863 /nfs/dbraw/zinc/04/58/63/370045863.db2.gz HOIDUJKQYZZXOW-HNNXBMFYSA-N 1 0 258.390 3.271 50 0 CGAARO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000084760729 370015153 /nfs/dbraw/zinc/01/51/53/370015153.db2.gz CHQVGUJHHKLHSZ-MRXNPFEDSA-N 1 0 274.408 3.000 50 0 CGAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000084780018 370015395 /nfs/dbraw/zinc/01/53/95/370015395.db2.gz JZTOUSNJJMRQCO-DOMZBBRYSA-N 1 0 293.386 3.020 50 0 CGAARO c1ccc2c(c1)CC[C@]21C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000088745177 370036891 /nfs/dbraw/zinc/03/68/91/370036891.db2.gz KNMOQTNSJQRXJG-SJLPKXTDSA-N 1 0 264.372 3.075 50 0 CGAARO CC(C)COC(=O)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000089135074 370037970 /nfs/dbraw/zinc/03/79/70/370037970.db2.gz WCOPNYNHILTHPI-UHFFFAOYSA-N 1 0 296.436 3.095 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532260 370062422 /nfs/dbraw/zinc/06/24/22/370062422.db2.gz AEHDOJTUQAXDDM-CMPLNLGQSA-N 1 0 261.369 3.155 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000089941610 370051703 /nfs/dbraw/zinc/05/17/03/370051703.db2.gz JWGOFCLPVSIKGA-NVXWUHKLSA-N 1 0 286.419 3.055 50 0 CGAARO c1ccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000095098697 370176319 /nfs/dbraw/zinc/17/63/19/370176319.db2.gz XFDRXHGKWKWFMJ-UHFFFAOYSA-N 1 0 275.355 3.433 50 0 CGAARO CCc1c(C)[nH+]c(N)nc1N[C@@H](C)c1nc(C)sc1C ZINC000095380944 370181311 /nfs/dbraw/zinc/18/13/11/370181311.db2.gz NNFZZTZDDXDLAB-QMMMGPOBSA-N 1 0 291.424 3.176 50 0 CGAARO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccncc2)cc1 ZINC000095401508 370182142 /nfs/dbraw/zinc/18/21/42/370182142.db2.gz JLXZYFRLLANXGH-CQSZACIVSA-N 1 0 270.376 3.153 50 0 CGAARO Cc1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)s1 ZINC000093741534 370155337 /nfs/dbraw/zinc/15/53/37/370155337.db2.gz ZQSVJAAQFDIMNZ-UHFFFAOYSA-N 1 0 292.448 3.033 50 0 CGAARO COc1ccc([C@@H](C)C[N@H+](C)Cc2cccnc2)cc1 ZINC000097236893 370236520 /nfs/dbraw/zinc/23/65/20/370236520.db2.gz DYAZZZHATIACMU-AWEZNQCLSA-N 1 0 270.376 3.326 50 0 CGAARO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000097377001 370240827 /nfs/dbraw/zinc/24/08/27/370240827.db2.gz DTADJRWVIXJONH-HOTGVXAUSA-N 1 0 273.424 3.031 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000097514276 370245144 /nfs/dbraw/zinc/24/51/44/370245144.db2.gz PXOGUCSQBTZAAW-ZDUSSCGKSA-N 1 0 285.334 3.289 50 0 CGAARO CC(C)Nc1ccc(-c2ccccc2C[NH+](C)C)nn1 ZINC000097674423 370249353 /nfs/dbraw/zinc/24/93/53/370249353.db2.gz YYWUDEMCZCIIIO-UHFFFAOYSA-N 1 0 270.380 3.026 50 0 CGAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCCCCC1 ZINC000097679978 370249691 /nfs/dbraw/zinc/24/96/91/370249691.db2.gz LXTXWKIPTZYUSS-UHFFFAOYSA-N 1 0 283.375 3.483 50 0 CGAARO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc2ccccc2o1 ZINC000095421679 370187765 /nfs/dbraw/zinc/18/77/65/370187765.db2.gz UKKUVVKDJLPSAL-ZDUSSCGKSA-N 1 0 283.375 3.450 50 0 CGAARO Cc1ccc(CC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000095422294 370188987 /nfs/dbraw/zinc/18/89/87/370188987.db2.gz HMKTWHKLTGLUNZ-CQSZACIVSA-N 1 0 298.386 3.055 50 0 CGAARO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000095422574 370189616 /nfs/dbraw/zinc/18/96/16/370189616.db2.gz GGQIVFYLAWPICE-BFHYXJOUSA-N 1 0 294.464 3.482 50 0 CGAARO C[C@H](CCc1ccccc1)C[NH2+]C[C@@H](O)c1ccco1 ZINC000095450141 370196861 /nfs/dbraw/zinc/19/68/61/370196861.db2.gz QNBOMNUSTFYIOB-GDBMZVCRSA-N 1 0 273.376 3.172 50 0 CGAARO C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@H]1CCCCN12 ZINC000101363526 370289136 /nfs/dbraw/zinc/28/91/36/370289136.db2.gz XFHQYXRJUICKLQ-IAGOWNOFSA-N 1 0 286.419 3.034 50 0 CGAARO CC(=O)c1c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cnn1C ZINC000426412835 372158239 /nfs/dbraw/zinc/15/82/39/372158239.db2.gz 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/nfs/dbraw/zinc/63/50/56/372635056.db2.gz DEZOCTXNNSUNDM-RRFJBIMHSA-N 1 0 251.345 3.170 50 0 CGAARO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000170597319 372641911 /nfs/dbraw/zinc/64/19/11/372641911.db2.gz YOOAZVYJKVVLHR-INIZCTEOSA-N 1 0 298.386 3.138 50 0 CGAARO Cc1nc(CN2CCS[C@H](C(C)C)C2)cs1 ZINC000174338286 373294673 /nfs/dbraw/zinc/29/46/73/373294673.db2.gz KOQCLXCUOZICRP-LBPRGKRZSA-N 1 0 256.440 3.025 50 0 CGAARO C[NH2+]Cc1cc(-c2ccc(-c3cc[nH]n3)cc2)ccc1OC ZINC000067770414 541889404 /nfs/dbraw/zinc/88/94/04/541889404.db2.gz DVNTYUZNCQAILY-UHFFFAOYSA-N 1 0 293.370 3.472 50 0 CGAARO CSc1ccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000299782820 373611796 /nfs/dbraw/zinc/61/17/96/373611796.db2.gz HYORNOAMYOIPNN-ZDUSSCGKSA-N 1 0 293.436 3.062 50 0 CGAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3sccc3C)[C@H]2C1 ZINC000299771803 373612277 /nfs/dbraw/zinc/61/22/77/373612277.db2.gz VBNUNEAWAUOVDA-CWRNSKLLSA-N 1 0 295.448 3.215 50 0 CGAARO CC(C)(C)C[NH2+]CCCc1cc(N)n(-c2ccccc2)n1 ZINC000084169864 541932404 /nfs/dbraw/zinc/93/24/04/541932404.db2.gz UKBOLXFEURMVAJ-UHFFFAOYSA-N 1 0 286.423 3.023 50 0 CGAARO CN1CCC([NH2+][C@H]2CCCSc3ccccc32)CC1 ZINC000098020451 541996174 /nfs/dbraw/zinc/99/61/74/541996174.db2.gz XCFHUQXQGWDHNP-HNNXBMFYSA-N 1 0 276.449 3.297 50 0 CGAARO OC[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000336721831 375921246 /nfs/dbraw/zinc/92/12/46/375921246.db2.gz UYPBTUFAKGSPAX-SFHVURJKSA-N 1 0 297.398 3.080 50 0 CGAARO CC[N@H+](CC[C@@H](C)c1ccc(C)o1)Cc1nccn1C ZINC000215787419 376152838 /nfs/dbraw/zinc/15/28/38/376152838.db2.gz IKIGGLMQFNPASL-CYBMUJFWSA-N 1 0 275.396 3.337 50 0 CGAARO CSc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)c1 ZINC000216204310 376160451 /nfs/dbraw/zinc/16/04/51/376160451.db2.gz YBBBQCAJEVLUFR-CABCVRRESA-N 1 0 265.422 3.144 50 0 CGAARO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(F)cc2Cl)CCN1C ZINC000225639017 376319617 /nfs/dbraw/zinc/31/96/17/376319617.db2.gz QHNBXKJCOJBFDQ-DOMZBBRYSA-N 1 0 298.833 3.436 50 0 CGAARO Cc1cnn(CC[NH2+]C(C)(C)c2cccc(Cl)c2)c1 ZINC000240555601 376777106 /nfs/dbraw/zinc/77/71/06/376777106.db2.gz GWOLQCLTXKNXAC-UHFFFAOYSA-N 1 0 277.799 3.370 50 0 CGAARO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ccsc1 ZINC000242389374 376781068 /nfs/dbraw/zinc/78/10/68/376781068.db2.gz ZWPPWKRBSKKMQF-CQSZACIVSA-N 1 0 253.411 3.121 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@@H](O)Cc1ccccc1 ZINC000249512626 377510198 /nfs/dbraw/zinc/51/01/98/377510198.db2.gz IMYHOPSJDGRZRY-IYOUNJFTSA-N 1 0 285.387 3.035 50 0 CGAARO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000252584857 377638557 /nfs/dbraw/zinc/63/85/57/377638557.db2.gz DJZQSGXDOPPNTL-CFVMTHIKSA-N 1 0 253.430 3.342 50 0 CGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000246456 284678629 /nfs/dbraw/zinc/67/86/29/284678629.db2.gz XEBOHDDYDKJLHV-OAHLLOKOSA-N 1 0 279.424 3.066 50 0 CGAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269282472 378202332 /nfs/dbraw/zinc/20/23/32/378202332.db2.gz REBCNNTZMDTJQA-BXUZGUMPSA-N 1 0 288.416 3.101 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778402 379513759 /nfs/dbraw/zinc/51/37/59/379513759.db2.gz LCOSCHKTTNYCRL-PSASIEDQSA-N 1 0 287.226 3.000 50 0 CGAARO COc1cccc(-c2ccc([C@H](C)[NH3+])cc2)c1OC ZINC000213063018 542284578 /nfs/dbraw/zinc/28/45/78/542284578.db2.gz DXRSYDMTIGETGD-NSHDSACASA-N 1 0 257.333 3.391 50 0 CGAARO c1ccc(C[N@@H+]2C[C@H]3CNc4ccccc4[C@H]3C2)cc1 ZINC000306462786 542420784 /nfs/dbraw/zinc/42/07/84/542420784.db2.gz APSFVWLHYYFSDW-WBVHZDCISA-N 1 0 264.372 3.328 50 0 CGAARO c1ccc(C[C@H]2CCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000058162717 392112856 /nfs/dbraw/zinc/11/28/56/392112856.db2.gz JDJZWRGHXACZRM-OAHLLOKOSA-N 1 0 283.375 3.154 50 0 CGAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccoc3)cc21 ZINC000096418433 392252456 /nfs/dbraw/zinc/25/24/56/392252456.db2.gz LZPCXOHGHYCDSI-UHFFFAOYSA-N 1 0 297.358 3.048 50 0 CGAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCC2)c(Cl)c1 ZINC000198096431 392977588 /nfs/dbraw/zinc/97/75/88/392977588.db2.gz AUAIKWMXSSTSLU-UHFFFAOYSA-N 1 0 280.799 3.461 50 0 CGAARO Cc1ccc2ccccc2c1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000215306621 392987276 /nfs/dbraw/zinc/98/72/76/392987276.db2.gz QJLGFQBFQMLGIQ-MRXNPFEDSA-N 1 0 296.414 3.378 50 0 CGAARO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccsc1 ZINC000108324542 397653140 /nfs/dbraw/zinc/65/31/40/397653140.db2.gz HXXASODUGXBTHQ-VHDGCEQUSA-N 1 0 267.438 3.330 50 0 CGAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1F ZINC000022027725 397605396 /nfs/dbraw/zinc/60/53/96/397605396.db2.gz UQRKDWCCRHUHKH-UHFFFAOYSA-N 1 0 286.394 3.390 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000003635464 169904878 /nfs/dbraw/zinc/90/48/78/169904878.db2.gz JIPPEDXMQNTPMJ-AWEZNQCLSA-N 1 0 255.361 3.416 50 0 CGAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(Cl)cc1 ZINC000004845374 170029695 /nfs/dbraw/zinc/02/96/95/170029695.db2.gz RVHYXQDPSBHFRM-DOMZBBRYSA-N 1 0 283.799 3.124 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2cccs2)cc1OC ZINC000005019263 170056749 /nfs/dbraw/zinc/05/67/49/170056749.db2.gz JHBIIWSYLNYGBX-UHFFFAOYSA-N 1 0 277.389 3.445 50 0 CGAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000005525683 170108293 /nfs/dbraw/zinc/10/82/93/170108293.db2.gz SYPUBBORRYKBCW-DLBZAZTESA-N 1 0 265.356 3.215 50 0 CGAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(C)CC1 ZINC000005575941 170115511 /nfs/dbraw/zinc/11/55/11/170115511.db2.gz QUOAXYFVCSIWGR-ZDUSSCGKSA-N 1 0 270.376 3.471 50 0 CGAARO CC(C)[C@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006049867 170172193 /nfs/dbraw/zinc/17/21/93/170172193.db2.gz DRDZLWHKMAXEAT-SFHVURJKSA-N 1 0 295.382 3.325 50 0 CGAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006356006 170195125 /nfs/dbraw/zinc/19/51/25/170195125.db2.gz NVJLPVJXKVSZKM-MAUKXSAKSA-N 1 0 299.414 3.481 50 0 CGAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717517 170349430 /nfs/dbraw/zinc/34/94/30/170349430.db2.gz CUGDHAKLEZMQBN-UHFFFAOYSA-N 1 0 299.418 3.301 50 0 CGAARO Cc1ccc(C)c(CSC2=NNC(=C3C=CC=[NH+]3)O2)c1 ZINC000009579400 170381669 /nfs/dbraw/zinc/38/16/69/170381669.db2.gz GAZVXLVGTLQICJ-YPKPFQOOSA-N 1 0 285.372 3.237 50 0 CGAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1OC ZINC000019944891 170935924 /nfs/dbraw/zinc/93/59/24/170935924.db2.gz HKYFXKXOMGYHRZ-GXTWGEPZSA-N 1 0 263.381 3.372 50 0 CGAARO CC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cccs1 ZINC000020186549 171050578 /nfs/dbraw/zinc/05/05/78/171050578.db2.gz GZGBJUSMSSFPRE-LBPRGKRZSA-N 1 0 262.378 3.393 50 0 CGAARO Clc1cc(Cl)cc(OCC2CC[NH2+]CC2)c1 ZINC000020221686 171083021 /nfs/dbraw/zinc/08/30/21/171083021.db2.gz DBPQWIFFINOCKO-UHFFFAOYSA-N 1 0 260.164 3.372 50 0 CGAARO OC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000020537377 171241017 /nfs/dbraw/zinc/24/10/17/171241017.db2.gz KWGWUNHTQYHROU-UHFFFAOYSA-N 1 0 273.420 3.345 50 0 CGAARO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020927624 171280559 /nfs/dbraw/zinc/28/05/59/171280559.db2.gz VHUWBIGIYVIQGW-SECBINFHSA-N 1 0 272.186 3.346 50 0 CGAARO CCc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000021635886 171317815 /nfs/dbraw/zinc/31/78/15/171317815.db2.gz FHSQMBJKBVYFOE-UHFFFAOYSA-N 1 0 277.371 3.482 50 0 CGAARO COc1ccc(Cn2ccnc2C[NH2+]C2CCCCC2)cc1 ZINC000035636841 172320809 /nfs/dbraw/zinc/32/08/09/172320809.db2.gz BSFMJKQKXIGDKZ-UHFFFAOYSA-N 1 0 299.418 3.362 50 0 CGAARO C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000035762779 172402573 /nfs/dbraw/zinc/40/25/73/172402573.db2.gz ADMWZOCUPSQHDJ-SECBINFHSA-N 1 0 258.184 3.205 50 0 CGAARO CC[C@H]([NH2+]CCOC)c1cccc(Br)c1 ZINC000037186374 173017617 /nfs/dbraw/zinc/01/76/17/173017617.db2.gz FCURROZSPMNQRI-LBPRGKRZSA-N 1 0 272.186 3.136 50 0 CGAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCC1=CCCCC1 ZINC000037216852 173035618 /nfs/dbraw/zinc/03/56/18/173035618.db2.gz POLRJBLICLKDRS-UHFFFAOYSA-N 1 0 282.391 3.452 50 0 CGAARO COc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000040105885 174191275 /nfs/dbraw/zinc/19/12/75/174191275.db2.gz QVLACWMJNSIDJY-LBPRGKRZSA-N 1 0 295.810 3.350 50 0 CGAARO CC(C)c1ccccc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000040525699 174313650 /nfs/dbraw/zinc/31/36/50/174313650.db2.gz 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/nfs/dbraw/zinc/26/17/30/176261730.db2.gz NWTGFAWYKOTVDC-AMBYYYRHSA-N 1 0 293.414 3.350 50 0 CGAARO Cc1ncc2c(n1)C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000071859679 176279996 /nfs/dbraw/zinc/27/99/96/176279996.db2.gz DCTYBIDVKQGISN-GOSISDBHSA-N 1 0 279.387 3.221 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@H]2CCCO)c2ccccc2n1 ZINC000071915026 176298643 /nfs/dbraw/zinc/29/86/43/176298643.db2.gz SCKBRLGKRBJVLZ-INIZCTEOSA-N 1 0 284.403 3.280 50 0 CGAARO FC(F)CN1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000071924558 176301415 /nfs/dbraw/zinc/30/14/15/176301415.db2.gz YOUJMQMWHRFRMX-QPJJXVBHSA-N 1 0 280.362 3.019 50 0 CGAARO CC[C@H]1CN(Cc2ccc3ccn(C)c3c2)CC[N@@H+]1C(C)C ZINC000072145787 176324963 /nfs/dbraw/zinc/32/49/63/176324963.db2.gz PDSJCAPLQMFOCS-SFHVURJKSA-N 1 0 299.462 3.483 50 0 CGAARO COc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000077221088 177236050 /nfs/dbraw/zinc/23/60/50/177236050.db2.gz GOVQFKOADNNZPS-UHFFFAOYSA-N 1 0 299.370 3.146 50 0 CGAARO Cc1csc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000077341926 177254692 /nfs/dbraw/zinc/25/46/92/177254692.db2.gz VFKHEYRRTLONRB-AWEZNQCLSA-N 1 0 279.453 3.154 50 0 CGAARO c1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1 ZINC000049948524 416476117 /nfs/dbraw/zinc/47/61/17/416476117.db2.gz UTPLRQLJZYWJBS-UHFFFAOYSA-N 1 0 266.388 3.229 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(c3ccccc3)[C@@H]2C1 ZINC000685945169 544110795 /nfs/dbraw/zinc/11/07/95/544110795.db2.gz LMTGWBHEPMICMK-MAUKXSAKSA-N 1 0 297.402 3.002 50 0 CGAARO COCc1csc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)c1 ZINC000657442316 419279847 /nfs/dbraw/zinc/27/98/47/419279847.db2.gz AWJBYQUCNZDPLA-INIZCTEOSA-N 1 0 297.464 3.315 50 0 CGAARO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288533 419736131 /nfs/dbraw/zinc/73/61/31/419736131.db2.gz VLYYESWPIWCQRQ-BBWFWOEESA-N 1 0 289.419 3.046 50 0 CGAARO c1csc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000019688736 260114443 /nfs/dbraw/zinc/11/44/43/260114443.db2.gz ORBSTHZLNWEZID-OAHLLOKOSA-N 1 0 254.358 3.465 50 0 CGAARO CCCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000043576936 260188518 /nfs/dbraw/zinc/18/85/18/260188518.db2.gz NWMBDGKDYMXGDD-UHFFFAOYSA-N 1 0 260.150 3.478 50 0 CGAARO CCn1c(C)[n+](-c2ccccc2)c2ccc(C(=O)OC)cc21 ZINC000000357765 273766760 /nfs/dbraw/zinc/76/67/60/273766760.db2.gz JWEONZNNYNXFKG-UHFFFAOYSA-N 1 0 295.362 3.033 50 0 CGAARO CN1CC[C@@H](C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000521402314 273908896 /nfs/dbraw/zinc/90/88/96/273908896.db2.gz XQOXNGYVGOWWHT-INIZCTEOSA-N 1 0 266.388 3.400 50 0 CGAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3cnc4ccccc4c3)c2O1 ZINC000067678126 274950251 /nfs/dbraw/zinc/95/02/51/274950251.db2.gz LWNMFLXZULQSHT-HNNXBMFYSA-N 1 0 294.329 3.303 50 0 CGAARO CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303504 275772432 /nfs/dbraw/zinc/77/24/32/275772432.db2.gz MUKUBAGDESCKJT-OAHLLOKOSA-N 1 0 285.391 3.157 50 0 CGAARO CN(C(=O)c1ccc(F)cc1)C1=CCCC[C@@H]1C[NH+](C)C ZINC000001237241 276802452 /nfs/dbraw/zinc/80/24/52/276802452.db2.gz GTSCONUCYVIZIX-CQSZACIVSA-N 1 0 290.382 3.143 50 0 CGAARO CN1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095419518 277031167 /nfs/dbraw/zinc/03/11/67/277031167.db2.gz WPGSWYMBFGNGSG-MRXNPFEDSA-N 1 0 286.419 3.117 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000020827146 277897246 /nfs/dbraw/zinc/89/72/46/277897246.db2.gz XXSRAAQXQFUSOJ-ZDUSSCGKSA-N 1 0 295.386 3.433 50 0 CGAARO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000242191332 277973718 /nfs/dbraw/zinc/97/37/18/277973718.db2.gz XERNCVDIKZLSCU-ZWUHOBOKSA-N 1 0 291.391 3.064 50 0 CGAARO Cc1cc(=O)c2ccccc2n1CC[C@@H]1CCCC[N@H+]1C ZINC000095385955 280303584 /nfs/dbraw/zinc/30/35/84/280303584.db2.gz LXCSMROIUSHJQK-HNNXBMFYSA-N 1 0 284.403 3.184 50 0 CGAARO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CCOCC1 ZINC000037108012 280687169 /nfs/dbraw/zinc/68/71/69/280687169.db2.gz RASSGKQVVQAFOY-AWEZNQCLSA-N 1 0 263.381 3.370 50 0 CGAARO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000252493625 281285072 /nfs/dbraw/zinc/28/50/72/281285072.db2.gz 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/nfs/dbraw/zinc/35/20/67/328352067.db2.gz PBKDZBWQKAGOOQ-AWEZNQCLSA-N 1 0 288.435 3.267 50 0 CGAARO COc1ccc(C)cc1[C@H](C)[NH2+]CC[S@](=O)C(C)(C)C ZINC000096477843 329526762 /nfs/dbraw/zinc/52/67/62/329526762.db2.gz ZWIFFOHVYUTKKT-RNODOKPDSA-N 1 0 297.464 3.201 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)o1 ZINC000096486396 534077344 /nfs/dbraw/zinc/07/73/44/534077344.db2.gz XFXAXXZJSPTZPG-GXFFZTMASA-N 1 0 265.378 3.251 50 0 CGAARO COc1ccccc1-c1noc(C[N@H+](C)CC(C)(C)C)n1 ZINC000726971644 571694722 /nfs/dbraw/zinc/69/47/22/571694722.db2.gz MRBFZQSNAXXBIC-UHFFFAOYSA-N 1 0 289.379 3.223 50 0 CGAARO CC(=O)c1cc(C[NH2+][C@H](C)C2=CCCCC2)n(C)c1 ZINC000952983989 614248603 /nfs/dbraw/zinc/24/86/03/614248603.db2.gz XSVMMQFRTOSSFZ-GFCCVEGCSA-N 1 0 260.381 3.206 50 0 CGAARO CC(=O)c1cc(C[NH2+][C@@H](C)C2=CCCCC2)n(C)c1 ZINC000952983991 614248747 /nfs/dbraw/zinc/24/87/47/614248747.db2.gz XSVMMQFRTOSSFZ-LBPRGKRZSA-N 1 0 260.381 3.206 50 0 CGAARO CCCCc1ncc(C[NH2+]CCOc2ccccc2F)[nH]1 ZINC000952987572 614491017 /nfs/dbraw/zinc/49/10/17/614491017.db2.gz IKFJLMLNQLNGKY-UHFFFAOYSA-N 1 0 291.370 3.060 50 0 CGAARO C[NH2+]Cc1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000050478954 618107842 /nfs/dbraw/zinc/10/78/42/618107842.db2.gz MPZVULZSGMZUNU-UHFFFAOYSA-N 1 0 256.136 3.103 50 0 CGAARO C[C@@H]([C@@H](O)c1ccc2c(c1)CCCC2)[NH+]1CCCCC1 ZINC000003684568 618893632 /nfs/dbraw/zinc/89/36/32/618893632.db2.gz RUELEOXXLSELNB-KBXCAEBGSA-N 1 0 273.420 3.473 50 0 CGAARO CCOc1ccccc1N1CCN(Cc2ccoc2)CC1 ZINC000055543198 622835041 /nfs/dbraw/zinc/83/50/41/622835041.db2.gz WJVQJBULJXBVIC-UHFFFAOYSA-N 1 0 286.375 3.001 50 0 CGAARO COC[C@@H]([NH2+]CC1=Cc2cc(Cl)ccc2OC1)C1CC1 ZINC000121365299 630252983 /nfs/dbraw/zinc/25/29/83/630252983.db2.gz WDVGUFOLJLUPKX-OAHLLOKOSA-N 1 0 293.794 3.130 50 0 CGAARO Cc1cccc(N2CCC([NH+]3CCSCC3)CC2)c1C ZINC000952973761 636774853 /nfs/dbraw/zinc/77/48/53/636774853.db2.gz FTXZDLUXIKDZPZ-UHFFFAOYSA-N 1 0 290.476 3.321 50 0 CGAARO [NH3+]Cc1cc(-c2ccc(O[C@H]3CCOC3)cc2)cs1 ZINC000935618078 639836441 /nfs/dbraw/zinc/83/64/41/639836441.db2.gz GWYHFSVLWVLCMG-AWEZNQCLSA-N 1 0 275.373 3.042 50 0 CGAARO CCc1nc2ccccc2c(NC(=O)C[NH+]2CCCC2)c1C ZINC000000190340 640919344 /nfs/dbraw/zinc/91/93/44/640919344.db2.gz DDLZYPPKZQDNIF-UHFFFAOYSA-N 1 0 297.402 3.140 50 0 CGAARO COc1cccc(N2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)c1 ZINC000000277009 640921648 /nfs/dbraw/zinc/92/16/48/640921648.db2.gz PCIWRDKGBDTJTP-HOCLYGCPSA-N 1 0 274.408 3.006 50 0 CGAARO CN(CCCC1CCCC1)Cc1nc(CC2CC2)no1 ZINC000015065820 640972298 /nfs/dbraw/zinc/97/22/98/640972298.db2.gz LZIFMYNPMORRMT-UHFFFAOYSA-N 1 0 277.412 3.424 50 0 CGAARO Cc1cccc(CC[N@@H+](C)C[C@@H](O)c2ccccc2)c1 ZINC000020110095 641040479 /nfs/dbraw/zinc/04/04/79/641040479.db2.gz GYOOEFAGIAORMX-GOSISDBHSA-N 1 0 269.388 3.203 50 0 CGAARO COc1cccc2c(C)cc(N(C)C3CC[NH+](C)CC3)nc12 ZINC000023634774 798838792 /nfs/dbraw/zinc/83/87/92/798838792.db2.gz ZFDALDDNYJURLI-UHFFFAOYSA-N 1 0 299.418 3.082 50 0 CGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000032553448 798849527 /nfs/dbraw/zinc/84/95/27/798849527.db2.gz SYCRHRPRHUVTFA-CVEARBPZSA-N 1 0 290.451 3.185 50 0 CGAARO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccncc3)CC2)CCO1 ZINC000952880866 800687096 /nfs/dbraw/zinc/68/70/96/800687096.db2.gz DPMNVHCFRVGRFD-IXDOHACOSA-N 1 0 288.435 3.466 50 0 CGAARO OC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000023280309 926834599 /nfs/dbraw/zinc/83/45/99/926834599.db2.gz XJHGFSFFDKKRSE-MRXNPFEDSA-N 1 0 293.410 3.462 50 0 CGAARO Cc1cccc(C[NH2+]CCCc2ccccc2F)n1 ZINC001506414368 937989748 /nfs/dbraw/zinc/98/97/48/937989748.db2.gz OYPWYOYBGMIMLI-UHFFFAOYSA-N 1 0 258.340 3.252 50 0 CGAARO C[N@H+](CC[C@H]1CCOC1)Cc1cccc2cnccc21 ZINC001506422541 937990091 /nfs/dbraw/zinc/99/00/91/937990091.db2.gz QDIGFJRKTWEXLL-AWEZNQCLSA-N 1 0 270.376 3.093 50 0 CGAARO O=C1CC[C@@H]([NH2+]CCC2=CCCCC2)CCN1CC1CC1 ZINC001506422516 937990107 /nfs/dbraw/zinc/99/01/07/937990107.db2.gz PWZGVFDORFTSNA-QGZVFWFLSA-N 1 0 290.451 3.258 50 0 CGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNCc2ccco2)C1 ZINC001506427675 937990109 /nfs/dbraw/zinc/99/01/09/937990109.db2.gz RSKDPXCDJITNMG-MRXNPFEDSA-N 1 0 284.403 3.167 50 0 CGAARO C[N@H+](CC[C@@H]1CCOC1)Cc1cccc2cnccc21 ZINC001506422543 937990233 /nfs/dbraw/zinc/99/02/33/937990233.db2.gz QDIGFJRKTWEXLL-CQSZACIVSA-N 1 0 270.376 3.093 50 0 CGAARO CC(C)c1ccc(OCCN(C)Cc2ccnn2C)cc1 ZINC001529191659 938071617 /nfs/dbraw/zinc/07/16/17/938071617.db2.gz AWCXEAIVUWHLDX-UHFFFAOYSA-N 1 0 287.407 3.054 50 0 CGAARO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1OC ZINC000096467613 230378743 /nfs/dbraw/zinc/37/87/43/230378743.db2.gz BOVOPSGMBBPSKS-AAEUAGOBSA-N 1 0 281.421 3.250 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)o1 ZINC000096486393 230381692 /nfs/dbraw/zinc/38/16/92/230381692.db2.gz XFXAXXZJSPTZPG-GWCFXTLKSA-N 1 0 265.378 3.251 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCn1ccnc1 ZINC000096489346 230382161 /nfs/dbraw/zinc/38/21/61/230382161.db2.gz SHAIJNLQZZLJEH-HIFRSBDPSA-N 1 0 255.365 3.030 50 0 CGAARO Cc1nnc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)s1 ZINC000096491399 230382801 /nfs/dbraw/zinc/38/28/01/230382801.db2.gz QAWFFNGTQLUEIG-LLVKDONJSA-N 1 0 275.421 3.302 50 0 CGAARO C[NH+](C)[C@H]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000097657320 230386943 /nfs/dbraw/zinc/38/69/43/230386943.db2.gz XSSBCYUVUJSWMF-KRWDZBQOSA-N 1 0 283.419 3.151 50 0 CGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCOc2ccccc2C1 ZINC000095528553 185005313 /nfs/dbraw/zinc/00/53/13/185005313.db2.gz OXOYHXLSSMYCMI-HNNXBMFYSA-N 1 0 282.387 3.155 50 0 CGAARO CC(C)CSC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000095968703 185047481 /nfs/dbraw/zinc/04/74/81/185047481.db2.gz MLIOSUYBDDMYMB-STQMWFEESA-N 1 0 296.484 3.043 50 0 CGAARO COC[C@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccco1 ZINC000095968833 185047755 /nfs/dbraw/zinc/04/77/55/185047755.db2.gz GPSWWHXPYCQKRL-AAEUAGOBSA-N 1 0 265.378 3.249 50 0 CGAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cccs1 ZINC000095978209 185052304 /nfs/dbraw/zinc/05/23/04/185052304.db2.gz NLGAIOBRWHQNBL-PWSUYJOCSA-N 1 0 267.419 3.411 50 0 CGAARO Cc1nc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004740 185063202 /nfs/dbraw/zinc/06/32/02/185063202.db2.gz SUZULDOCJMIDOX-OCCSQVGLSA-N 1 0 293.480 3.194 50 0 CGAARO CC(C)COCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000096008995 185064031 /nfs/dbraw/zinc/06/40/31/185064031.db2.gz VYWSCCXJCKRLRV-UHFFFAOYSA-N 1 0 265.372 3.334 50 0 CGAARO Clc1ccc(Cc2cnc([C@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032167 185067710 /nfs/dbraw/zinc/06/77/10/185067710.db2.gz BPJBVYGPJGTISX-LBPRGKRZSA-N 1 0 276.767 3.386 50 0 CGAARO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000299795770 282139489 /nfs/dbraw/zinc/13/94/89/282139489.db2.gz MIBXJRDPXAAJLW-ZDUSSCGKSA-N 1 0 271.339 3.058 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)s1 ZINC000097022847 185153445 /nfs/dbraw/zinc/15/34/45/185153445.db2.gz YPNKGURDQRSSJX-BXKDBHETSA-N 1 0 296.461 3.423 50 0 CGAARO COc1ccc([C@@H](C)C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000097033873 185156336 /nfs/dbraw/zinc/15/63/36/185156336.db2.gz UHVVCDXJDLLBPD-HNNXBMFYSA-N 1 0 299.418 3.332 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125519148 187188822 /nfs/dbraw/zinc/18/88/22/187188822.db2.gz RHWVCWYURZNZNS-KRWDZBQOSA-N 1 0 268.360 3.427 50 0 CGAARO [NH2+]=C1NC(Nc2cccc3ccccc32)=NC2(CCCC2)N1 ZINC000019326925 344890139 /nfs/dbraw/zinc/89/01/39/344890139.db2.gz SHDBZSCCMYSPIQ-UHFFFAOYSA-N 1 0 293.374 3.006 50 0 CGAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000034118341 344937903 /nfs/dbraw/zinc/93/79/03/344937903.db2.gz VFSCAXGPMNIWEZ-RYRKJORJSA-N 1 0 287.403 3.339 50 0 CGAARO C[NH+](C)CCCn1c2ccccc2c2sccc(=O)c21 ZINC000059944106 345210320 /nfs/dbraw/zinc/21/03/20/345210320.db2.gz LQXXXDSLCJAOEQ-UHFFFAOYSA-N 1 0 286.400 3.168 50 0 CGAARO CC(C)c1ncc2c(n1)C[N@@H+](CCc1cccs1)CC2 ZINC000072268509 345408218 /nfs/dbraw/zinc/40/82/18/345408218.db2.gz FKYPYKMTEXYBQV-UHFFFAOYSA-N 1 0 287.432 3.262 50 0 CGAARO COC[C@@H](C)[NH+]1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000072308088 345408869 /nfs/dbraw/zinc/40/88/69/345408869.db2.gz KSANMPVGAGVIFR-ZIAGYGMSSA-N 1 0 296.842 3.054 50 0 CGAARO c1nn(CC[NH+]2CCCCCC2)cc1-c1ccccc1 ZINC000075105702 345495251 /nfs/dbraw/zinc/49/52/51/345495251.db2.gz VKMVCAWXZOOGFR-UHFFFAOYSA-N 1 0 269.392 3.426 50 0 CGAARO CC(C)=CC[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000076047221 345531799 /nfs/dbraw/zinc/53/17/99/345531799.db2.gz WTPOUVFMMONFQY-ZDUSSCGKSA-N 1 0 261.369 3.093 50 0 CGAARO Cc1cc(C)n(CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000097212366 185565747 /nfs/dbraw/zinc/56/57/47/185565747.db2.gz SSVMPMOHHKOESE-UHFFFAOYSA-N 1 0 263.429 3.258 50 0 CGAARO CC(C)c1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000097254246 185572586 /nfs/dbraw/zinc/57/25/86/185572586.db2.gz SBRDTVCEZICOGS-UHFFFAOYSA-N 1 0 257.381 3.186 50 0 CGAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000089937544 345776753 /nfs/dbraw/zinc/77/67/53/345776753.db2.gz XLMUFQSANCFRCN-LIRRHRJNSA-N 1 0 296.414 3.186 50 0 CGAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]CC(C)(C)CC)cn1 ZINC000089941998 345776978 /nfs/dbraw/zinc/77/69/78/345776978.db2.gz VPIUGYURSBUTHW-HIFRSBDPSA-N 1 0 279.428 3.006 50 0 CGAARO Cc1nn(C)cc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000092063467 345829144 /nfs/dbraw/zinc/82/91/44/345829144.db2.gz DPSRAUALZPMBLS-QGZVFWFLSA-N 1 0 283.419 3.354 50 0 CGAARO C[NH+](C)C1CCN(c2ncc(-c3ccccc3)s2)CC1 ZINC000095962924 345901369 /nfs/dbraw/zinc/90/13/69/345901369.db2.gz AKGIEUVOIQWRHW-UHFFFAOYSA-N 1 0 287.432 3.341 50 0 CGAARO CCCCC[N@H+](C)CCOc1ccccc1[C@@H](C)O ZINC000096026669 345901811 /nfs/dbraw/zinc/90/18/11/345901811.db2.gz GICNBUWVPAIORK-CQSZACIVSA-N 1 0 265.397 3.241 50 0 CGAARO C[C@@]1(CO)CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000170089229 346193416 /nfs/dbraw/zinc/19/34/16/346193416.db2.gz ITIDMRAORKYCAE-AWEZNQCLSA-N 1 0 253.773 3.077 50 0 CGAARO CC(C)[NH2+]CCN(C)Cc1ccccc1C(F)(F)F ZINC000170075039 346193562 /nfs/dbraw/zinc/19/35/62/346193562.db2.gz OGYCGRULIDNEEF-UHFFFAOYSA-N 1 0 274.330 3.135 50 0 CGAARO COCc1cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1F ZINC000170065551 346193612 /nfs/dbraw/zinc/19/36/12/346193612.db2.gz DADBXLONBCOFHL-IUIKQTSFSA-N 1 0 295.398 3.121 50 0 CGAARO CCCCCCOc1ccc(C[N@H+](C)C[C@H](C)O)cc1 ZINC000170595401 346194157 /nfs/dbraw/zinc/19/41/57/346194157.db2.gz SJGWTLZIWUDPRC-HNNXBMFYSA-N 1 0 279.424 3.458 50 0 CGAARO CCCC(C)(C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085322972 179016562 /nfs/dbraw/zinc/01/65/62/179016562.db2.gz WEEGDGDQDWXJFV-KRWDZBQOSA-N 1 0 253.411 3.092 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC000248165069 346374205 /nfs/dbraw/zinc/37/42/05/346374205.db2.gz ZKIYXZLZRXHENG-JKSUJKDBSA-N 1 0 278.440 3.042 50 0 CGAARO Cc1nccn1CC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000584892165 346722318 /nfs/dbraw/zinc/72/23/18/346722318.db2.gz DAUZCRIYIWBXNH-AWEZNQCLSA-N 1 0 296.418 3.284 50 0 CGAARO C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)C(C)(C)C ZINC000089894503 179878484 /nfs/dbraw/zinc/87/84/84/179878484.db2.gz ZLYYBERASHVLAJ-GDBMZVCRSA-N 1 0 294.483 3.249 50 0 CGAARO C[C@@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@@]1(O)C1CC1 ZINC000091616256 180207958 /nfs/dbraw/zinc/20/79/58/180207958.db2.gz NHENHYRAAJYNIL-KUHUBIRLSA-N 1 0 298.430 3.161 50 0 CGAARO c1cncc(-c2noc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000106547612 186126636 /nfs/dbraw/zinc/12/66/36/186126636.db2.gz KUIZPLFGTOOLPY-DZGCQCFKSA-N 1 0 298.390 3.286 50 0 CGAARO Ic1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000003734450 283041335 /nfs/dbraw/zinc/04/13/35/283041335.db2.gz SIKBDSQZWPSXMA-NSHDSACASA-N 1 0 287.144 3.106 50 0 CGAARO [NH3+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000002563892 283530246 /nfs/dbraw/zinc/53/02/46/283530246.db2.gz CNEYBCFNATWSJU-UHFFFAOYSA-N 1 0 258.268 3.288 50 0 CGAARO C[C@H](c1cnccn1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000184394266 189385353 /nfs/dbraw/zinc/38/53/53/189385353.db2.gz INNXQXFZVMPKGH-OAHLLOKOSA-N 1 0 297.402 3.219 50 0 CGAARO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000120965414 370818163 /nfs/dbraw/zinc/81/81/63/370818163.db2.gz YBMOSZAAQOANET-ZYHUDNBSSA-N 1 0 263.385 3.251 50 0 CGAARO Fc1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000000218187 368318242 /nfs/dbraw/zinc/31/82/42/368318242.db2.gz WPMSXEGNNPHGHE-UHFFFAOYSA-N 1 0 284.378 3.190 50 0 CGAARO CCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000000238314 368321818 /nfs/dbraw/zinc/32/18/18/368321818.db2.gz YSSOIXWJKOJSGI-UHFFFAOYSA-N 1 0 296.414 3.408 50 0 CGAARO CC1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000000127557 368295916 /nfs/dbraw/zinc/29/59/16/368295916.db2.gz QUDVPCKPGHORAB-SFHVURJKSA-N 1 0 299.414 3.311 50 0 CGAARO COc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000000271631 368329437 /nfs/dbraw/zinc/32/94/37/368329437.db2.gz IUZLJHFEVNYLAW-OAHLLOKOSA-N 1 0 266.344 3.267 50 0 biogenic CGAARO CC[N@H+](CCO)Cc1csc2c1cccc2Cl ZINC000000338786 368343171 /nfs/dbraw/zinc/34/31/71/368343171.db2.gz UBKAIKSTBNAJDV-UHFFFAOYSA-N 1 0 269.797 3.369 50 0 CGAARO O[C@H]1CCCC[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000000359762 368346919 /nfs/dbraw/zinc/34/69/19/368346919.db2.gz YSSBJODGIYRAMI-SJORKVTESA-N 1 0 259.393 3.170 50 0 in-man CGAARO Cn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccnc1 ZINC000000819100 368396497 /nfs/dbraw/zinc/39/64/97/368396497.db2.gz QYFIJGGKVZXQKS-UHFFFAOYSA-N 1 0 282.322 3.233 50 0 CGAARO CCc1ccccc1NC(=O)OCC[NH+](CC)CC ZINC000002172188 368448933 /nfs/dbraw/zinc/44/89/33/368448933.db2.gz AHZFNUYCHDLUHH-UHFFFAOYSA-N 1 0 264.369 3.139 50 0 CGAARO COc1cc2cccnc2c(NCC[C@H]2CCCC[NH2+]2)c1 ZINC000001729576 368435573 /nfs/dbraw/zinc/43/55/73/368435573.db2.gz VEVGNPJKXAYEMU-CQSZACIVSA-N 1 0 285.391 3.188 50 0 in-vitro CGAARO COc1cccc(NC(=O)C[NH2+][C@@H](C)CCC(C)C)c1 ZINC000003266359 368499344 /nfs/dbraw/zinc/49/93/44/368499344.db2.gz IBYCYQCQPINKOI-ZDUSSCGKSA-N 1 0 278.396 3.048 50 0 CGAARO Cc1cccc(OCCOCC[NH2+]CCc2ccccc2)c1 ZINC000002825223 368481761 /nfs/dbraw/zinc/48/17/61/368481761.db2.gz BSRRVIFFPILSLF-UHFFFAOYSA-N 1 0 299.414 3.223 50 0 CGAARO CC[NH+](CC)CCOCCOc1ccc(C)cc1C ZINC000002894844 368484500 /nfs/dbraw/zinc/48/45/00/368484500.db2.gz FSSJWRGAURBCPA-UHFFFAOYSA-N 1 0 265.397 3.041 50 0 CGAARO CCCCOC(=O)CSc1sc2ccccc2[n+]1C ZINC000003106389 368492421 /nfs/dbraw/zinc/49/24/21/368492421.db2.gz RYMZEPUDQJLMKI-UHFFFAOYSA-N 1 0 296.437 3.161 50 0 CGAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000003683441 368517671 /nfs/dbraw/zinc/51/76/71/368517671.db2.gz CJSJGJXCOQSPIM-WMLDXEAASA-N 1 0 275.436 3.463 50 0 CGAARO C[N@H+](CCOC(=O)c1ccc(Cl)cc1)C(C)(C)C ZINC000004664785 368553900 /nfs/dbraw/zinc/55/39/00/368553900.db2.gz ZHEVHDDHFKTXEP-UHFFFAOYSA-N 1 0 269.772 3.227 50 0 CGAARO CCOc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811486 368572039 /nfs/dbraw/zinc/57/20/39/368572039.db2.gz NSQWGLQKLBHFHZ-OKILXGFUSA-N 1 0 290.407 3.002 50 0 CGAARO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)o1 ZINC000011503144 368591738 /nfs/dbraw/zinc/59/17/38/368591738.db2.gz WYMJBKOBCJDZAX-LRDDRELGSA-N 1 0 298.386 3.134 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000012169934 368605112 /nfs/dbraw/zinc/60/51/12/368605112.db2.gz HVITVSLACDLDPT-BFYDXBDKSA-N 1 0 291.435 3.021 50 0 CGAARO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000013142494 368645480 /nfs/dbraw/zinc/64/54/80/368645480.db2.gz SYPUBBORRYKBCW-SJORKVTESA-N 1 0 265.356 3.215 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1F ZINC000016513158 368713317 /nfs/dbraw/zinc/71/33/17/368713317.db2.gz DZRQISPEVWDMGV-UHFFFAOYSA-N 1 0 262.303 3.034 50 0 CGAARO Cc1ccc(COC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000016577784 368714967 /nfs/dbraw/zinc/71/49/67/368714967.db2.gz PAWQSMOBOGCYPF-SOLBZPMBSA-N 1 0 291.435 3.135 50 0 CGAARO c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019634935 368759054 /nfs/dbraw/zinc/75/90/54/368759054.db2.gz VMOVHEKNZJZXFB-GOSISDBHSA-N 1 0 270.420 3.161 50 0 CGAARO Cc1ccc(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019781922 368765347 /nfs/dbraw/zinc/76/53/47/368765347.db2.gz MEBAESOWIAQEAW-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO CCC(CC)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019832017 368768876 /nfs/dbraw/zinc/76/88/76/368768876.db2.gz GPYXTWGBXKNMNT-UHFFFAOYSA-N 1 0 264.388 3.132 50 0 CGAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1 ZINC000019362913 368750297 /nfs/dbraw/zinc/75/02/97/368750297.db2.gz XFOYZAKVZYMLET-UHFFFAOYSA-N 1 0 268.404 3.250 50 0 CGAARO C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H](O)c1ccccc1 ZINC000023280392 368817973 /nfs/dbraw/zinc/81/79/73/368817973.db2.gz JINFOKYZHLOJQQ-MRXNPFEDSA-N 1 0 277.314 3.130 50 0 CGAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccco1 ZINC000024182168 368829268 /nfs/dbraw/zinc/82/92/68/368829268.db2.gz FPJDFVBMKRQAGT-UHFFFAOYSA-N 1 0 298.386 3.196 50 0 CGAARO Cc1ccc(NC(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000024774604 368836381 /nfs/dbraw/zinc/83/63/81/368836381.db2.gz XNLRDWIVJBFPEN-OAHLLOKOSA-N 1 0 277.412 3.093 50 0 CGAARO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)o1 ZINC000027399000 368871312 /nfs/dbraw/zinc/87/13/12/368871312.db2.gz SQRHKZGNAGJTSB-IUODEOHRSA-N 1 0 299.370 3.464 50 0 CGAARO CC(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584269 368873160 /nfs/dbraw/zinc/87/31/60/368873160.db2.gz HSMAJDRTZZPUIF-ZDUSSCGKSA-N 1 0 280.437 3.047 50 0 CGAARO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000031653607 368916567 /nfs/dbraw/zinc/91/65/67/368916567.db2.gz QQDHITLGDRCKOQ-JTQLQIEISA-N 1 0 294.345 3.166 50 0 CGAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cnc1N ZINC000032516138 368933780 /nfs/dbraw/zinc/93/37/80/368933780.db2.gz VOOZMBUIGFDPFS-AWEZNQCLSA-N 1 0 297.402 3.032 50 0 CGAARO Cc1nc([C@H](C)NC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000037140816 369066796 /nfs/dbraw/zinc/06/67/96/369066796.db2.gz WSIYSVCGLVBEAI-JTQLQIEISA-N 1 0 279.453 3.037 50 0 CGAARO Cc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000037764943 369106212 /nfs/dbraw/zinc/10/62/12/369106212.db2.gz VBLJUSMRKMLGQS-PBHICJAKSA-N 1 0 282.387 3.262 50 0 CGAARO CCCOc1cccc(C[NH2+][C@H](C)CN2CCCCC2)c1 ZINC000037996958 369135859 /nfs/dbraw/zinc/13/58/59/369135859.db2.gz TXQGZRUFPMDURG-MRXNPFEDSA-N 1 0 290.451 3.439 50 0 CGAARO COc1ccc([C@H](C[NH3+])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000041486294 369188253 /nfs/dbraw/zinc/18/82/53/369188253.db2.gz MJPIXZNEBBDSIO-INIZCTEOSA-N 1 0 296.370 3.276 50 0 CGAARO CCC(C)(C)c1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769647 369230972 /nfs/dbraw/zinc/23/09/72/369230972.db2.gz KYCBHDNVJWZBSU-UHFFFAOYSA-N 1 0 253.773 3.378 50 0 CGAARO Clc1ccc(CO[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775977 369231838 /nfs/dbraw/zinc/23/18/38/369231838.db2.gz SOLSRSFSAGMWKT-NSHDSACASA-N 1 0 260.164 3.262 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccccc2F)o1 ZINC000042900694 369238405 /nfs/dbraw/zinc/23/84/05/369238405.db2.gz PVDXUKQDVZHOLX-UHFFFAOYSA-N 1 0 299.349 3.450 50 0 CGAARO Fc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1F ZINC000051924522 369458164 /nfs/dbraw/zinc/45/81/64/369458164.db2.gz MQTQFFICUDERPS-UHFFFAOYSA-N 1 0 280.362 3.025 50 0 CGAARO CC[N@H+](CCOc1c(C)cccc1C)Cc1cc(C)n[nH]1 ZINC000055036187 369508486 /nfs/dbraw/zinc/50/84/86/369508486.db2.gz RDRPKVLUVVMCCY-UHFFFAOYSA-N 1 0 287.407 3.236 50 0 CGAARO COc1c(C)cnc(C[N@H+](C)C2CCCCC2)c1C ZINC000058160979 369556319 /nfs/dbraw/zinc/55/63/19/369556319.db2.gz MJNGQNAKHXPDOU-UHFFFAOYSA-N 1 0 262.397 3.472 50 0 CGAARO CCC[NH+]1CCC(NC(=O)CCCc2cccs2)CC1 ZINC000058391759 369566880 /nfs/dbraw/zinc/56/68/80/369566880.db2.gz JODJFTPZZDGHHK-UHFFFAOYSA-N 1 0 294.464 3.061 50 0 CGAARO c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000061327897 369597883 /nfs/dbraw/zinc/59/78/83/369597883.db2.gz XJIYDORLYQMEDX-HNNXBMFYSA-N 1 0 276.449 3.342 50 0 CGAARO C[C@H]([NH2+]Cc1ccc2nccnc2c1)c1ccccc1 ZINC000063666732 369647608 /nfs/dbraw/zinc/64/76/08/369647608.db2.gz WZRPNYJALYAAJI-ZDUSSCGKSA-N 1 0 263.344 3.481 50 0 CGAARO CC[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CCOCC1 ZINC000065410034 369673707 /nfs/dbraw/zinc/67/37/07/369673707.db2.gz WYYDEIGNVLSPIS-UHFFFAOYSA-N 1 0 299.418 3.121 50 0 CGAARO CC(C)CCC[C@@H]1C[N@@H+](C2CCSCC2)CCO1 ZINC000065410301 369673942 /nfs/dbraw/zinc/67/39/42/369673942.db2.gz APRZYERFFWMADF-OAHLLOKOSA-N 1 0 271.470 3.409 50 0 CGAARO CSc1cccc(C[N@H+](C)Cc2ccc(CO)o2)c1 ZINC000065455821 369677433 /nfs/dbraw/zinc/67/74/33/369677433.db2.gz IDMYIRKBFBDCDL-UHFFFAOYSA-N 1 0 277.389 3.126 50 0 CGAARO CC[N@@H+]1CCC[C@H](c2[nH]cnc2-c2ccccc2)C1 ZINC000065505125 369681323 /nfs/dbraw/zinc/68/13/23/369681323.db2.gz VAKSHCFUGVZBAM-AWEZNQCLSA-N 1 0 255.365 3.276 50 0 CGAARO COc1ccccc1C[N@H+](CCc1ccncc1)C1CC1 ZINC000065540390 369683007 /nfs/dbraw/zinc/68/30/07/369683007.db2.gz PAHZZMWQRBQNRX-UHFFFAOYSA-N 1 0 282.387 3.297 50 0 CGAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[NH2+]C2 ZINC000067650505 369722153 /nfs/dbraw/zinc/72/21/53/369722153.db2.gz ZZVQUCHXTSJELM-UHFFFAOYSA-N 1 0 275.373 3.214 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc2ccccc21 ZINC000069816633 369771982 /nfs/dbraw/zinc/77/19/82/369771982.db2.gz DZEKVCNRIFSBGC-UKRRQHHQSA-N 1 0 292.386 3.097 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576218 369805352 /nfs/dbraw/zinc/80/53/52/369805352.db2.gz UZWUCKIEAYEOGT-UPJWGTAASA-N 1 0 294.826 3.377 50 0 CGAARO c1cc(-c2ccc(C[N@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)o2)n[nH]1 ZINC000071774766 369810431 /nfs/dbraw/zinc/81/04/31/369810431.db2.gz OZTRPWUKFSAPBV-CUFDPUGPSA-N 1 0 283.375 3.148 50 0 CGAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1C ZINC000072158595 369815609 /nfs/dbraw/zinc/81/56/09/369815609.db2.gz HYWUMGLXYZHLPI-GOSISDBHSA-N 1 0 299.418 3.474 50 0 CGAARO Cc1ncsc1CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000072433846 369820423 /nfs/dbraw/zinc/82/04/23/369820423.db2.gz RLZDMTZKTIZOSE-UHFFFAOYSA-N 1 0 292.452 3.147 50 0 CGAARO Cc1cc(CN2CC[NH+](CCC3CCCCC3)CC2)no1 ZINC000072557662 369825750 /nfs/dbraw/zinc/82/57/50/369825750.db2.gz HQWWXWOVSAYLLJ-UHFFFAOYSA-N 1 0 291.439 3.071 50 0 CGAARO C[N@H+](CCc1cccs1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000075145402 369896797 /nfs/dbraw/zinc/89/67/97/369896797.db2.gz SNUSJZDXGBPEMR-MCIONIFRSA-N 1 0 265.422 3.036 50 0 CGAARO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC000076108345 369931076 /nfs/dbraw/zinc/93/10/76/369931076.db2.gz SETVYWFEEWSKOM-MSOLQXFVSA-N 1 0 282.387 3.170 50 0 CGAARO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@@H]1CCCO1 ZINC000084651580 370013256 /nfs/dbraw/zinc/01/32/56/370013256.db2.gz DMFDEQFBQXPCAZ-RISCZKNCSA-N 1 0 285.334 3.460 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087784876 370029805 /nfs/dbraw/zinc/02/98/05/370029805.db2.gz ZJSKXUTVCJROCT-SJORKVTESA-N 1 0 258.409 3.041 50 0 CGAARO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000089632312 370045008 /nfs/dbraw/zinc/04/50/08/370045008.db2.gz OXJQLJMRKNZMDA-GOSISDBHSA-N 1 0 289.419 3.155 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000089895759 370050462 /nfs/dbraw/zinc/05/04/62/370050462.db2.gz HUHSPNAWPQXJHW-WBVHZDCISA-N 1 0 283.419 3.371 50 0 CGAARO Cc1ccc(C)c(CNC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000095368196 370178873 /nfs/dbraw/zinc/17/88/73/370178873.db2.gz DSRWLPQWDUDEDE-QGZVFWFLSA-N 1 0 288.435 3.184 50 0 CGAARO C[C@H]1C[C@H](N(C)Cc2cc(Cl)ccc2F)CC[N@@H+]1C ZINC000093644644 370154597 /nfs/dbraw/zinc/15/45/97/370154597.db2.gz VUYHCFRHTOSXFK-SMDDNHRTSA-N 1 0 284.806 3.394 50 0 CGAARO CC(=O)Nc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000097113641 370227716 /nfs/dbraw/zinc/22/77/16/370227716.db2.gz FQLVYIMZRCJQDH-ZDUSSCGKSA-N 1 0 283.375 3.233 50 0 CGAARO C[N@@H+](Cc1cc(C2CC2)on1)C[C@@H]1CCOC(C)(C)C1 ZINC000097813727 370253947 /nfs/dbraw/zinc/25/39/47/370253947.db2.gz IVMKQBCRNKTIJQ-GFCCVEGCSA-N 1 0 278.396 3.189 50 0 CGAARO [NH3+][C@H](CC(=O)N1CCC2(C1)CCCCC2)c1ccccc1 ZINC000097229175 370235016 /nfs/dbraw/zinc/23/50/16/370235016.db2.gz OTZCPWMUUXNBQU-MRXNPFEDSA-N 1 0 286.419 3.259 50 0 CGAARO Cn1nccc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000097371254 370240181 /nfs/dbraw/zinc/24/01/81/370240181.db2.gz BSDFQFUBWFRLSO-CVEARBPZSA-N 1 0 269.392 3.092 50 0 CGAARO c1ccc(CC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000097619556 370248494 /nfs/dbraw/zinc/24/84/94/370248494.db2.gz IGHDAAKNUWNYKX-UHFFFAOYSA-N 1 0 259.393 3.122 50 0 CGAARO C[C@H]([NH2+]CCSc1ccccc1F)C1CCOCC1 ZINC000095422372 370188305 /nfs/dbraw/zinc/18/83/05/370188305.db2.gz MKMDRWUEQOKXEE-LBPRGKRZSA-N 1 0 283.412 3.323 50 0 CGAARO C[C@H]([NH2+]CCSCC(C)(C)O)c1ccc(F)cc1F ZINC000095422597 370189867 /nfs/dbraw/zinc/18/98/67/370189867.db2.gz IEPNITIMKTXZKR-JTQLQIEISA-N 1 0 289.391 3.120 50 0 CGAARO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCOc1cccnc1 ZINC000095422455 370190101 /nfs/dbraw/zinc/19/01/01/370190101.db2.gz UMBMUPOSUZZNJK-HNNXBMFYSA-N 1 0 286.400 3.287 50 0 CGAARO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccn(C)n1 ZINC000095451574 370196873 /nfs/dbraw/zinc/19/68/73/370196873.db2.gz HFEQMZWKVFOIJO-GFCCVEGCSA-N 1 0 277.799 3.137 50 0 CGAARO CC(=O)c1c(F)cccc1N1CCC([NH+]2CCCC2)CC1 ZINC000098018548 370259928 /nfs/dbraw/zinc/25/99/28/370259928.db2.gz UMKAGFMMEQOCMI-UHFFFAOYSA-N 1 0 290.382 3.093 50 0 CGAARO Fc1ccc2c(NCc3ccncc3)cc[nH+]c2c1 ZINC000130650337 371048368 /nfs/dbraw/zinc/04/83/68/371048368.db2.gz IBJRQRDUHCZMPL-UHFFFAOYSA-N 1 0 253.280 3.381 50 0 CGAARO Cn1nccc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000130344834 371025814 /nfs/dbraw/zinc/02/58/14/371025814.db2.gz MPLYSRZPFSKRFV-INIZCTEOSA-N 1 0 269.392 3.046 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)c(C)c1 ZINC000170592248 372639007 /nfs/dbraw/zinc/63/90/07/372639007.db2.gz BPCSWFSENYKRFG-KRWDZBQOSA-N 1 0 288.435 3.217 50 0 CGAARO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(O)c2)C1 ZINC000170606871 372641826 /nfs/dbraw/zinc/64/18/26/372641826.db2.gz DVWLMVVZBFDJHT-SUMWQHHRSA-N 1 0 268.360 3.370 50 0 CGAARO COc1cncc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)c1 ZINC000289490778 197373841 /nfs/dbraw/zinc/37/38/41/197373841.db2.gz SNXWSPNKWQVEHC-LBPRGKRZSA-N 1 0 288.313 3.253 50 0 CGAARO CC(C)[N@H+](Cc1cc(-c2ccccc2)no1)CC(C)(C)O ZINC000084597273 541934350 /nfs/dbraw/zinc/93/43/50/541934350.db2.gz MMERAZSZTXWAME-UHFFFAOYSA-N 1 0 288.391 3.323 50 0 CGAARO CC[N@H+](C)CCNC(=O)c1cc2c(s1)CCCCCC2 ZINC000084760867 541935000 /nfs/dbraw/zinc/93/50/00/541935000.db2.gz NQGQPIYHPNRNCC-UHFFFAOYSA-N 1 0 294.464 3.089 50 0 CGAARO CC[NH+]1CCC(n2nccc2NCc2ccccc2)CC1 ZINC000084789064 541935509 /nfs/dbraw/zinc/93/55/09/541935509.db2.gz TXZJKVFXPQHNBM-UHFFFAOYSA-N 1 0 284.407 3.152 50 0 CGAARO CCC[C@H]([NH2+][C@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761370 375089091 /nfs/dbraw/zinc/08/90/91/375089091.db2.gz LHSYRVKUPAYFFV-KBPBESRZSA-N 1 0 280.437 3.190 50 0 CGAARO c1coc(C[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000097941075 541995454 /nfs/dbraw/zinc/99/54/54/541995454.db2.gz RJASKBBXFSFETC-AWEZNQCLSA-N 1 0 295.342 3.319 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191887640 375672614 /nfs/dbraw/zinc/67/26/14/375672614.db2.gz VGXFFTOLRVAGJN-IAGOWNOFSA-N 1 0 298.434 3.107 50 0 CGAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cccc(CO)c2)C1 ZINC000195577911 376113455 /nfs/dbraw/zinc/11/34/55/376113455.db2.gz BBDMQNIPFPQXAW-DNVCBOLYSA-N 1 0 296.414 3.426 50 0 CGAARO C[C@@H](c1cccc(-c2ccnc(N)c2)c1)[NH+]1CCCC1 ZINC000215075073 376143985 /nfs/dbraw/zinc/14/39/85/376143985.db2.gz GKRLRALBOIZVLM-ZDUSSCGKSA-N 1 0 267.376 3.488 50 0 CGAARO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cn1 ZINC000214986166 376144103 /nfs/dbraw/zinc/14/41/03/376144103.db2.gz ZAMMRCIVMVSZTR-KRWDZBQOSA-N 1 0 296.418 3.270 50 0 CGAARO CC(C)C[C@]1(CO)CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000215342897 376147529 /nfs/dbraw/zinc/14/75/29/376147529.db2.gz OECOUSUJBCKWBE-MRXNPFEDSA-N 1 0 296.842 3.356 50 0 CGAARO Cc1c2ccccc2[nH]c1CN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000216275884 376161032 /nfs/dbraw/zinc/16/10/32/376161032.db2.gz NMIVGVKENJQLSC-HNNXBMFYSA-N 1 0 285.435 3.392 50 0 CGAARO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Cl)ccc1Cl ZINC000225506333 376315060 /nfs/dbraw/zinc/31/50/60/376315060.db2.gz OMYGJDSQCYSORY-UHFFFAOYSA-N 1 0 290.194 3.113 50 0 CGAARO FC(F)COCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000225544370 376316274 /nfs/dbraw/zinc/31/62/74/376316274.db2.gz ONHYCDNDEHJAFR-LLVKDONJSA-N 1 0 261.337 3.167 50 0 CGAARO C[C@H](c1cnn(C)c1)[N@H+](C)CCCCC1CCOCC1 ZINC000225628295 376320279 /nfs/dbraw/zinc/32/02/79/376320279.db2.gz ULFPDSDLNVFORX-CQSZACIVSA-N 1 0 279.428 3.010 50 0 CGAARO Nc1nc2ccc(-c3ccc4c(c3)SC([NH3+])N4)cc2s1 ZINC000225367360 376304211 /nfs/dbraw/zinc/30/42/11/376304211.db2.gz DDSCTHVSHGDCCP-UHFFFAOYSA-N 1 0 299.404 3.469 50 0 CGAARO Clc1ccc(C[NH2+]CC[C@H]2CCOC2)c2ncccc12 ZINC000230165663 376493487 /nfs/dbraw/zinc/49/34/87/376493487.db2.gz ZLUJLVMFUJVXQG-LBPRGKRZSA-N 1 0 290.794 3.404 50 0 CGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000230210134 376495358 /nfs/dbraw/zinc/49/53/58/376495358.db2.gz VRLICOZVESFNON-OAGGEKHMSA-N 1 0 292.467 3.215 50 0 CGAARO C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000237621484 376753624 /nfs/dbraw/zinc/75/36/24/376753624.db2.gz NTLVAZRCYZKWSG-NWDGAFQWSA-N 1 0 292.810 3.002 50 0 CGAARO CCCn1cc(C[NH+]2CCC(CSC)CC2)c(C)n1 ZINC000244719224 376796531 /nfs/dbraw/zinc/79/65/31/376796531.db2.gz LZEJPZGZKHZNDO-UHFFFAOYSA-N 1 0 281.469 3.177 50 0 CGAARO C[C@@H](CN(C)Cc1cc(-c2ccccc2)on1)[NH+]1CCCC1 ZINC000244758118 376797206 /nfs/dbraw/zinc/79/72/06/376797206.db2.gz OSSNDFLDZCSHKE-HNNXBMFYSA-N 1 0 299.418 3.258 50 0 CGAARO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000248889897 377422129 /nfs/dbraw/zinc/42/21/29/377422129.db2.gz ASPINFYSJIKKTD-RCBQFDQVSA-N 1 0 285.391 3.440 50 0 CGAARO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249286382 377487247 /nfs/dbraw/zinc/48/72/47/377487247.db2.gz PPFZGSWESYEFCI-NNYUYHANSA-N 1 0 267.335 3.104 50 0 CGAARO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000253427648 377693020 /nfs/dbraw/zinc/69/30/20/377693020.db2.gz WZADDEYBXZHATR-AWEZNQCLSA-N 1 0 297.402 3.242 50 0 CGAARO CC(C)([NH2+]Cc1ccc(CO)cc1)c1ccc(F)c(F)c1 ZINC000253425947 377694009 /nfs/dbraw/zinc/69/40/09/377694009.db2.gz BEKKKDBIZHRLRY-UHFFFAOYSA-N 1 0 291.341 3.482 50 0 CGAARO Cc1cncc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000253431066 377694328 /nfs/dbraw/zinc/69/43/28/377694328.db2.gz ZIDVCOMOLBXBGB-KRWDZBQOSA-N 1 0 292.386 3.187 50 0 CGAARO Fc1ccc(/C=C\C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000255119795 377734842 /nfs/dbraw/zinc/73/48/42/377734842.db2.gz FFCZFXVVVCFKIB-XOMPPTQVSA-N 1 0 293.407 3.045 50 0 CGAARO O=C(c1cccs1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257183426 377793157 /nfs/dbraw/zinc/79/31/57/377793157.db2.gz RJFWCOJVSNBCCX-CQSZACIVSA-N 1 0 292.448 3.086 50 0 CGAARO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000575547310 377917906 /nfs/dbraw/zinc/91/79/06/377917906.db2.gz ZCEJAEPVNADWNC-QGZVFWFLSA-N 1 0 298.434 3.245 50 0 CGAARO CCN(Cc1nnc(C)s1)[C@H](C)c1cccc(OC)c1 ZINC000271438760 378493384 /nfs/dbraw/zinc/49/33/84/378493384.db2.gz PJQFHVHSVHXAQG-LLVKDONJSA-N 1 0 291.420 3.438 50 0 CGAARO c1coc(C2=CCC[N@@H+](CCC[C@@H]3CCOC3)C2)c1 ZINC000645908833 380770149 /nfs/dbraw/zinc/77/01/49/380770149.db2.gz RUNCZYRCGQDGJW-CQSZACIVSA-N 1 0 261.365 3.185 50 0 CGAARO C[NH2+]C[C@H](C)COc1ccccc1OCc1ccccc1 ZINC000000347608 169613699 /nfs/dbraw/zinc/61/36/99/169613699.db2.gz WQKOOYPFENCASL-HNNXBMFYSA-N 1 0 285.387 3.500 50 0 CGAARO CC1(C)CC[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)O1 ZINC000289228907 197269664 /nfs/dbraw/zinc/26/96/64/197269664.db2.gz NTYXHAFFOATEIS-LBPRGKRZSA-N 1 0 284.319 3.014 50 0 CGAARO CCN1CC[NH+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000019637571 285311604 /nfs/dbraw/zinc/31/16/04/285311604.db2.gz PLPGWCCWZVDPJM-UHFFFAOYSA-N 1 0 252.446 3.229 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)O[C@@H](C)c1ccccc1 ZINC000088273466 256862945 /nfs/dbraw/zinc/86/29/45/256862945.db2.gz KJBFUDJEXGJBFY-KBPBESRZSA-N 1 0 263.381 3.302 50 0 CGAARO COc1cccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)c1OC ZINC000003281390 256872079 /nfs/dbraw/zinc/87/20/79/256872079.db2.gz PSUFOUIBIRKILS-CQSZACIVSA-N 1 0 296.370 3.276 50 0 CGAARO CC1=C[C@H](C)[C@H]2CO[C@H](c3ccc[n+](C)c3)[C@@H]1[C@H]2C ZINC000001216555 169691825 /nfs/dbraw/zinc/69/18/25/169691825.db2.gz JHAJBRWIERGXKC-BAZWHKJHSA-N 1 0 258.385 3.047 50 0 biogenic CGAARO O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCCCCC1 ZINC000005214397 285357934 /nfs/dbraw/zinc/35/79/34/285357934.db2.gz FLIUUONIGOGNPG-SFHVURJKSA-N 1 0 299.414 3.456 50 0 CGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000069489412 392174108 /nfs/dbraw/zinc/17/41/08/392174108.db2.gz OBIYSMBTNNZIPB-CABCVRRESA-N 1 0 297.402 3.207 50 0 CGAARO CS[C@H](C)CC[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000216534326 392991218 /nfs/dbraw/zinc/99/12/18/392991218.db2.gz PSSKLKMKUZTITP-GFCCVEGCSA-N 1 0 291.420 3.310 50 0 CGAARO CC(C)(C)n1cc(C[NH2+][C@H]2CCCCC2(C)C)nn1 ZINC000232511475 393027397 /nfs/dbraw/zinc/02/73/97/393027397.db2.gz INUIHBNGCMNPNK-ZDUSSCGKSA-N 1 0 264.417 3.092 50 0 CGAARO c1ccc2sc(SC[C@H]3CCC[NH2+]3)nc2c1 ZINC000043497200 285533632 /nfs/dbraw/zinc/53/36/32/285533632.db2.gz ZBDWVIRUROTRDU-SECBINFHSA-N 1 0 250.392 3.140 50 0 CGAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)[C@H]1CCSC1 ZINC000670454846 543155357 /nfs/dbraw/zinc/15/53/57/543155357.db2.gz YCKIDURHAATSEH-ZDUSSCGKSA-N 1 0 264.369 3.244 50 0 CGAARO Cc1nccc(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000670458013 543156765 /nfs/dbraw/zinc/15/67/65/543156765.db2.gz LQKLZBOABRYXBG-UHFFFAOYSA-N 1 0 273.405 3.226 50 0 CGAARO Cc1ccc([C@H](C)CC[N@H+](C)CC2(CO)CCC2)o1 ZINC000670469362 543156773 /nfs/dbraw/zinc/15/67/73/543156773.db2.gz RVUBWYTZBODADE-CYBMUJFWSA-N 1 0 265.397 3.176 50 0 CGAARO CCc1cccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167494 397605125 /nfs/dbraw/zinc/60/51/25/397605125.db2.gz LPMRCWNLWCJZSN-HUUCEWRRSA-N 1 0 277.408 3.127 50 0 CGAARO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000093003752 165321764 /nfs/dbraw/zinc/32/17/64/165321764.db2.gz PRULGMONHBNQTL-INIZCTEOSA-N 1 0 269.392 3.190 50 0 CGAARO CC(C)(C)C[NH2+][C@H](CO)C12CC3CC(CC(C3)C1)C2 ZINC000004645133 169992396 /nfs/dbraw/zinc/99/23/96/169992396.db2.gz ZKSWSDRTIKENEQ-UZZMVUAXSA-N 1 0 265.441 3.199 50 0 CGAARO Clc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000004700883 170001388 /nfs/dbraw/zinc/00/13/88/170001388.db2.gz DGBYCDGLPOVSMD-JTQLQIEISA-N 1 0 260.164 3.262 50 0 CGAARO COCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000004700385 170001486 /nfs/dbraw/zinc/00/14/86/170001486.db2.gz HJTSQYPQQRYQPR-UHFFFAOYSA-N 1 0 257.333 3.215 50 0 CGAARO CC[NH+](CC)CCOc1ccccc1Br ZINC000004748113 170011087 /nfs/dbraw/zinc/01/10/87/170011087.db2.gz LTTRHFRVNMLHBT-UHFFFAOYSA-N 1 0 272.186 3.170 50 0 CGAARO COc1cccc(CC[NH2+][C@H](C)Cc2cccc(OC)c2)c1 ZINC000004792793 170018181 /nfs/dbraw/zinc/01/81/81/170018181.db2.gz PHMFTYHRSAOLLV-OAHLLOKOSA-N 1 0 299.414 3.467 50 0 CGAARO C[NH+](C)CCOC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004794705 170018650 /nfs/dbraw/zinc/01/86/50/170018650.db2.gz BHOVKULWFSVLLV-UHFFFAOYSA-N 1 0 277.151 3.104 50 0 CGAARO C[C@@H](O)C[NH2+]CCCCOc1ccc(-c2ccccc2)cc1 ZINC000004832646 170026124 /nfs/dbraw/zinc/02/61/24/170026124.db2.gz HNUKPSMJOZBOKY-MRXNPFEDSA-N 1 0 299.414 3.483 50 0 CGAARO C[C@H](O)C[NH2+]CCCCOc1ccc(-c2ccccc2)cc1 ZINC000004832645 170026266 /nfs/dbraw/zinc/02/62/66/170026266.db2.gz HNUKPSMJOZBOKY-INIZCTEOSA-N 1 0 299.414 3.483 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000004999737 170052817 /nfs/dbraw/zinc/05/28/17/170052817.db2.gz SEZMSQPZBPOVDG-NSHDSACASA-N 1 0 279.767 3.461 50 0 CGAARO C[NH+]1CCC(Sc2ccnc3ccccc32)CC1 ZINC000005569886 170114963 /nfs/dbraw/zinc/11/49/63/170114963.db2.gz HWIPHHGPLACECO-UHFFFAOYSA-N 1 0 258.390 3.421 50 0 CGAARO C[n+]1ccc(CNc2cccc3c2CCCC3)cc1 ZINC000006657336 170222713 /nfs/dbraw/zinc/22/27/13/170222713.db2.gz MXQKDGIYMYYKMQ-UHFFFAOYSA-N 1 0 253.369 3.002 50 0 CGAARO C[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000006743660 170238580 /nfs/dbraw/zinc/23/85/80/170238580.db2.gz OTSZBPBFIWEDPC-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 CGAARO Cc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1Cl ZINC000006939507 170257194 /nfs/dbraw/zinc/25/71/94/170257194.db2.gz ATXZKVKRRNECCU-UHFFFAOYSA-N 1 0 297.855 3.029 50 0 CGAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717116 170349377 /nfs/dbraw/zinc/34/93/77/170349377.db2.gz KOMKJLRXARVVRG-UHFFFAOYSA-N 1 0 274.339 3.374 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000009212278 170366736 /nfs/dbraw/zinc/36/67/36/170366736.db2.gz PTGXAUBQBSGPKF-SPYBWZPUSA-N 1 0 299.414 3.425 50 0 world CGAARO CC[N@H+](Cc1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000009805947 170386115 /nfs/dbraw/zinc/38/61/15/170386115.db2.gz GNAKRFXDLZMOKM-UHFFFAOYSA-N 1 0 286.375 3.121 50 0 CGAARO [NH3+]C[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000011891720 170455024 /nfs/dbraw/zinc/45/50/24/170455024.db2.gz KSAYRSQZHOMJDQ-AWEZNQCLSA-N 1 0 268.360 3.264 50 0 CGAARO CCOc1ccc2nc(Cl)c(C[NH2+]CCOC)cc2c1 ZINC000013535427 170559563 /nfs/dbraw/zinc/55/95/63/170559563.db2.gz IYAOOLVRMOVYFP-UHFFFAOYSA-N 1 0 294.782 3.023 50 0 CGAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019637320 170833140 /nfs/dbraw/zinc/83/31/40/170833140.db2.gz NSCVTMGYYPFBSJ-WMZOPIPTSA-N 1 0 272.436 3.383 50 0 CGAARO FC(F)(F)c1cccc(OC[C@H]2CCCC[NH2+]2)c1 ZINC000019841407 170890164 /nfs/dbraw/zinc/89/01/64/170890164.db2.gz WMPHKVGGCCEZHM-LLVKDONJSA-N 1 0 259.271 3.226 50 0 CGAARO Oc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000020122517 171002773 /nfs/dbraw/zinc/00/27/73/171002773.db2.gz GOYOQVBBVIZNBX-UHFFFAOYSA-N 1 0 266.344 3.206 50 0 CGAARO Brc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000020221704 171083265 /nfs/dbraw/zinc/08/32/65/171083265.db2.gz LTVRLNNKCKSBMC-LBPRGKRZSA-N 1 0 284.197 3.360 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCc3sccc3C2)cc1 ZINC000020362813 171161345 /nfs/dbraw/zinc/16/13/45/171161345.db2.gz ZRSFFSSDGOZTRS-UHFFFAOYSA-N 1 0 287.384 3.093 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000020549655 171246392 /nfs/dbraw/zinc/24/63/92/171246392.db2.gz DXFTXFGHTIADPE-UHFFFAOYSA-N 1 0 286.828 3.004 50 0 CGAARO CSC[C@@H](C)[NH2+][C@@H](C)COc1c(C)cccc1C ZINC000020869146 171277505 /nfs/dbraw/zinc/27/75/05/171277505.db2.gz SCBFLUCRSJJJBR-UONOGXRCSA-N 1 0 267.438 3.412 50 0 CGAARO CC[NH+](CC)CCCCOc1c(OC)cccc1OC ZINC000022064590 171351642 /nfs/dbraw/zinc/35/16/42/171351642.db2.gz IXKKREWBIFJLFP-UHFFFAOYSA-N 1 0 281.396 3.205 50 0 CGAARO CCOC1CC2(C1)CC[N@H+](CCc1ccccc1F)C2 ZINC000285403234 196274066 /nfs/dbraw/zinc/27/40/66/196274066.db2.gz FEMPYAIKRFFQNU-UHFFFAOYSA-N 1 0 277.383 3.259 50 0 CGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(Cl)cc1 ZINC000040267902 174218311 /nfs/dbraw/zinc/21/83/11/174218311.db2.gz HVLYTAAZCAOVQH-DOTOQJQBSA-N 1 0 298.773 3.265 50 0 CGAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000044138067 175146312 /nfs/dbraw/zinc/14/63/12/175146312.db2.gz UCHSAEZQABWFFN-INIZCTEOSA-N 1 0 283.371 3.281 50 0 CGAARO COc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cn1 ZINC000044272285 175158785 /nfs/dbraw/zinc/15/87/85/175158785.db2.gz QMHDZOFYZYGZDU-UHFFFAOYSA-N 1 0 254.333 3.009 50 0 CGAARO CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCCCC1 ZINC000044875198 175269320 /nfs/dbraw/zinc/26/93/20/175269320.db2.gz BNFKSEJBYKHEJL-UHFFFAOYSA-N 1 0 275.352 3.484 50 0 CGAARO CC(C)Oc1ncccc1C[NH2+]Cc1ccccc1 ZINC000048068425 175419641 /nfs/dbraw/zinc/41/96/41/175419641.db2.gz VBMKOAZQEMTBRM-UHFFFAOYSA-N 1 0 256.349 3.159 50 0 CGAARO C[C@@H](Cc1cccc(F)c1)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000067783798 175790973 /nfs/dbraw/zinc/79/09/73/175790973.db2.gz SLUBUZUZIBFZAA-ZDUSSCGKSA-N 1 0 297.377 3.465 50 0 CGAARO Cc1nc(-c2ccccc2)sc1C[NH2+]CCn1cccn1 ZINC000071879200 176286966 /nfs/dbraw/zinc/28/69/66/176286966.db2.gz JFTXMDZORXMBRE-UHFFFAOYSA-N 1 0 298.415 3.105 50 0 CGAARO Fc1ccc(CC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000072158757 176329333 /nfs/dbraw/zinc/32/93/33/176329333.db2.gz DTYNLAXJGGGAOI-INIZCTEOSA-N 1 0 277.383 3.117 50 0 CGAARO COCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072167244 176331607 /nfs/dbraw/zinc/33/16/07/176331607.db2.gz KFWMHQYBQSXJBC-OAHLLOKOSA-N 1 0 251.345 3.389 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](Cc2ccc(Cl)nn2)CC1 ZINC000072343857 176372258 /nfs/dbraw/zinc/37/22/58/176372258.db2.gz CWUVXVKMUNWULQ-LBPRGKRZSA-N 1 0 267.804 3.183 50 0 CGAARO Cc1ncsc1CC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000072408954 176398381 /nfs/dbraw/zinc/39/83/81/176398381.db2.gz PPAFZPNMKOXHTD-CYBMUJFWSA-N 1 0 250.411 3.282 50 0 CGAARO c1ccc2[nH]c(C[C@@H]3CCCN(c4cc[nH+]cc4)C3)nc2c1 ZINC000077321133 177252649 /nfs/dbraw/zinc/25/26/49/177252649.db2.gz FJGWGSCUCPMHED-AWEZNQCLSA-N 1 0 292.386 3.417 50 0 CGAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000078553520 177353856 /nfs/dbraw/zinc/35/38/56/177353856.db2.gz IRHRPSKBSFGTBS-UHFFFAOYSA-N 1 0 285.391 3.329 50 0 CGAARO CC(C)OCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000078665141 177368343 /nfs/dbraw/zinc/36/83/43/177368343.db2.gz NSDHSOMJQNQZKU-UHFFFAOYSA-N 1 0 297.826 3.360 50 0 CGAARO CC(C)n1cc(C[N@H+](C)CCOc2ccc(F)cc2)cn1 ZINC000179770403 260068386 /nfs/dbraw/zinc/06/83/86/260068386.db2.gz IZRUOTLQUWPOAF-UHFFFAOYSA-N 1 0 291.370 3.114 50 0 CGAARO Cc1[nH]c2ccc(C)cc2c1[C@@H](O)C[NH+]1CCCCC1 ZINC000021793211 260122296 /nfs/dbraw/zinc/12/22/96/260122296.db2.gz WYVHMFILCHSLRK-INIZCTEOSA-N 1 0 272.392 3.304 50 0 CGAARO CCCCOc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000023281395 266022950 /nfs/dbraw/zinc/02/29/50/266022950.db2.gz XIQKCSOBYQXUEA-UHFFFAOYSA-N 1 0 276.424 3.003 50 0 CGAARO C[NH+](C)[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000071789858 273809761 /nfs/dbraw/zinc/80/97/61/273809761.db2.gz ALROKAKJPVGNST-SNVBAGLBSA-N 1 0 293.208 3.349 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC000000277012 274158972 /nfs/dbraw/zinc/15/89/72/274158972.db2.gz UIXAGJDENQATEF-HUUCEWRRSA-N 1 0 274.408 3.006 50 0 CGAARO [NH3+][C@H]1CN(c2ccnc3cc(Cl)ccc32)C[C@@H]1C1CC1 ZINC000095362918 274963287 /nfs/dbraw/zinc/96/32/87/274963287.db2.gz LJDMKRYYKBCMQH-KGLIPLIRSA-N 1 0 287.794 3.062 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000026307733 275492864 /nfs/dbraw/zinc/49/28/64/275492864.db2.gz RXWOTTCTEGTVDU-QGZVFWFLSA-N 1 0 296.370 3.258 50 0 CGAARO CC(C)c1ccc(CCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000236636704 275736007 /nfs/dbraw/zinc/73/60/07/275736007.db2.gz SWOHKCLRTQOZRK-YOEHRIQHSA-N 1 0 288.435 3.081 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008661056 276109865 /nfs/dbraw/zinc/10/98/65/276109865.db2.gz TVMHYMQJPQLVAT-UHFFFAOYSA-N 1 0 258.365 3.399 50 0 CGAARO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[NH2+]C1 ZINC000072343410 277662313 /nfs/dbraw/zinc/66/23/13/277662313.db2.gz GEGTWELCOCEMGF-NSHDSACASA-N 1 0 288.416 3.116 50 0 CGAARO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1-n1cccn1 ZINC000075094155 278348277 /nfs/dbraw/zinc/34/82/77/278348277.db2.gz FHGJGIVHNBJBDC-CABCVRRESA-N 1 0 285.391 3.092 50 0 CGAARO C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000299746835 279128418 /nfs/dbraw/zinc/12/84/18/279128418.db2.gz BHLYPVZVQTWHDJ-GFCCVEGCSA-N 1 0 298.361 3.044 50 0 CGAARO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000095421180 279389442 /nfs/dbraw/zinc/38/94/42/279389442.db2.gz KBJTZDYXEUUTAZ-GHMZBOCLSA-N 1 0 298.312 3.036 50 0 CGAARO Cc1c(C)n(-c2ccccn2)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000040287774 280223655 /nfs/dbraw/zinc/22/36/55/280223655.db2.gz KLEAJHJZDAPHFT-UHFFFAOYSA-N 1 0 292.386 3.498 50 0 CGAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000219234336 280397109 /nfs/dbraw/zinc/39/71/09/280397109.db2.gz ZCJAEJJHBNYNHV-CYBMUJFWSA-N 1 0 298.342 3.025 50 0 CGAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000019902098 280777525 /nfs/dbraw/zinc/77/75/25/280777525.db2.gz POVLRUJMWLEJER-AWEZNQCLSA-N 1 0 288.416 3.089 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(Cl)cc1 ZINC000036864655 281769043 /nfs/dbraw/zinc/76/90/43/281769043.db2.gz REXJGUDPMKZHQF-UHFFFAOYSA-N 1 0 263.772 3.012 50 0 CGAARO COCC[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000124439465 292672979 /nfs/dbraw/zinc/67/29/79/292672979.db2.gz SPHBRDJRFPSYHR-LBPRGKRZSA-N 1 0 267.800 3.386 50 0 CGAARO COc1ccc([C@@H](CC[NH3+])[C@H]2CCOC(C)(C)C2)cc1 ZINC000000244216 295211303 /nfs/dbraw/zinc/21/13/03/295211303.db2.gz LBUHCPWRASYICY-GOEBONIOSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO Cc1cccc2oc(C[NH2+][C@H]3CCCSC3)nc21 ZINC000534577674 328310822 /nfs/dbraw/zinc/31/08/22/328310822.db2.gz RLQBFHVWCPAXNZ-NSHDSACASA-N 1 0 262.378 3.121 50 0 CGAARO Cc1nccn1C[C@H](C)[NH2+]C1(Cc2ccccc2C)CC1 ZINC000534590106 328317845 /nfs/dbraw/zinc/31/78/45/328317845.db2.gz OSLUQMWRTLHQHY-HNNXBMFYSA-N 1 0 283.419 3.253 50 0 CGAARO CCc1nccn1C[C@H](C)[NH2+]C1(Cc2ccccc2)CC1 ZINC000534661957 328349817 /nfs/dbraw/zinc/34/98/17/328349817.db2.gz JABZGZJDIBDKQS-HNNXBMFYSA-N 1 0 283.419 3.199 50 0 CGAARO CCC(=O)c1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000004869400 326812443 /nfs/dbraw/zinc/81/24/43/326812443.db2.gz UKKISUSGBRRDBY-UHFFFAOYSA-N 1 0 275.392 3.390 50 0 CGAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000195571213 336056408 /nfs/dbraw/zinc/05/64/08/336056408.db2.gz ZULUJPYGZKRKET-QWHCGFSZSA-N 1 0 254.399 3.137 50 0 CGAARO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000195568504 336056496 /nfs/dbraw/zinc/05/64/96/336056496.db2.gz MEKGLWAGQJWWNX-NWANDNLSSA-N 1 0 274.412 3.003 50 0 CGAARO C[C@H]([NH2+]C1CCSCC1)c1cccc(-n2ccnc2)c1 ZINC000096478775 533812147 /nfs/dbraw/zinc/81/21/47/533812147.db2.gz ISOAJGVMCMURJY-ZDUSSCGKSA-N 1 0 287.432 3.419 50 0 CGAARO Cc1ccc2ncccc2c1CN(C)CC[NH+]1CCCCC1 ZINC000220517293 534522978 /nfs/dbraw/zinc/52/29/78/534522978.db2.gz WLUWCVMIQJICAC-UHFFFAOYSA-N 1 0 297.446 3.461 50 0 CGAARO Clc1cccc(N2CC[C@@H]([NH2+]Cc3cccnc3)C2)c1 ZINC000096456838 534644635 /nfs/dbraw/zinc/64/46/35/534644635.db2.gz GWJUAAVANXWEQY-OAHLLOKOSA-N 1 0 287.794 3.104 50 0 CGAARO Cc1nn(C)cc1C[N@H+](Cc1ccncc1)C1CCCCC1 ZINC000222880570 534832581 /nfs/dbraw/zinc/83/25/81/534832581.db2.gz NHZOKKQFXANZEQ-UHFFFAOYSA-N 1 0 298.434 3.458 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012648266 526481325 /nfs/dbraw/zinc/48/13/25/526481325.db2.gz IJLXSEZUQISPRL-OAHLLOKOSA-N 1 0 290.407 3.176 50 0 CGAARO c1ccc2c(c1)SCC[C@@H]2[NH2+]CCOC[C@H]1CCCO1 ZINC000096477729 526512979 /nfs/dbraw/zinc/51/29/79/526512979.db2.gz FAJLAJSMCIZKJZ-HIFRSBDPSA-N 1 0 293.432 3.009 50 0 CGAARO CC[N@H+](CCN1CCCC1)C[C@@H](C)c1ccccc1 ZINC000952982545 615047390 /nfs/dbraw/zinc/04/73/90/615047390.db2.gz YDJASSFUOQTYME-MRXNPFEDSA-N 1 0 260.425 3.208 50 0 CGAARO COc1ccc(CC[N@H+](C)Cc2ccsc2)cc1OC ZINC000023114755 618677753 /nfs/dbraw/zinc/67/77/53/618677753.db2.gz AEOBCUCCJQKXBN-UHFFFAOYSA-N 1 0 291.416 3.440 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1Cl)[NH2+]CC2 ZINC000004612902 619182788 /nfs/dbraw/zinc/18/27/88/619182788.db2.gz XONMKCZCHUOWRT-YUELXQCFSA-N 1 0 265.784 3.296 50 0 CGAARO Fc1ccc(F)c(C[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000106475866 619249105 /nfs/dbraw/zinc/24/91/05/619249105.db2.gz DVCZQHSMWXNWQU-HNNXBMFYSA-N 1 0 288.341 3.333 50 0 CGAARO C[C@H](C[C@H](C)SC1CCCC1)[NH2+]Cc1cc[nH]n1 ZINC000888098662 619260524 /nfs/dbraw/zinc/26/05/24/619260524.db2.gz NSECJHFPKLXPHF-NEPJUHHUSA-N 1 0 267.442 3.342 50 0 CGAARO C[C@H]([NH2+]C1CSCCSC1)c1cccs1 ZINC000952962538 636776435 /nfs/dbraw/zinc/77/64/35/636776435.db2.gz CGNDJUZBVDJVKS-VIFPVBQESA-N 1 0 259.465 3.247 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)C1=CCCCC1 ZINC000952983123 636777273 /nfs/dbraw/zinc/77/72/73/636777273.db2.gz OJPRAVYACZNXPC-CQSZACIVSA-N 1 0 275.392 3.036 50 0 CGAARO c1ccc2ncc(C[N@@H+]3CC[C@@H](c4cnccn4)C3)cc2c1 ZINC000952995467 636778818 /nfs/dbraw/zinc/77/88/18/636778818.db2.gz NIVWFJKEOCBADR-MRXNPFEDSA-N 1 0 290.370 3.014 50 0 CGAARO O=c1c(C[NH+]2CCCCCC2)coc2ccccc21 ZINC000000207699 640918753 /nfs/dbraw/zinc/91/87/53/640918753.db2.gz XUFRTOBMPKIVAZ-UHFFFAOYSA-N 1 0 257.333 3.169 50 0 CGAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc1 ZINC000019771283 641037834 /nfs/dbraw/zinc/03/78/34/641037834.db2.gz RMIYJCRPEXMDGJ-MAUKXSAKSA-N 1 0 272.436 3.479 50 0 CGAARO C[NH+](C)CCn1ccc(-c2cccc(-c3ccccn3)c2)n1 ZINC000023478460 798838670 /nfs/dbraw/zinc/83/86/70/798838670.db2.gz DTOSXHSRHKCGIG-UHFFFAOYSA-N 1 0 292.386 3.174 50 0 CGAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)C2CCC2)CC1 ZINC000581788291 799674209 /nfs/dbraw/zinc/67/42/09/799674209.db2.gz ZQHPBRMFFGDRNI-QGZVFWFLSA-N 1 0 292.467 3.290 50 0 CGAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC[C@@H]1CC1(Cl)Cl ZINC000585090049 799676234 /nfs/dbraw/zinc/67/62/34/799676234.db2.gz MRIOHRMUOUGIAD-WDEREUQCSA-N 1 0 296.238 3.125 50 0 CGAARO c1sc(-c2cnccn2)nc1C[NH2+]C[C@H]1CC=CCC1 ZINC000952960073 800688270 /nfs/dbraw/zinc/68/82/70/800688270.db2.gz ZXZVDVQCHOKEPK-LBPRGKRZSA-N 1 0 286.404 3.046 50 0 CGAARO CSc1cccc(C[NH2+][C@H](C)Cn2nc(C)cc2C)c1 ZINC001506399276 937989538 /nfs/dbraw/zinc/98/95/38/937989538.db2.gz LNDZRYAOANTFDM-CYBMUJFWSA-N 1 0 289.448 3.400 50 0 CGAARO C[N@H+](CCCn1cccc1)[C@H](c1ccccn1)C1CC1 ZINC001506397196 937989590 /nfs/dbraw/zinc/98/95/90/937989590.db2.gz JEIPZDVFRYQZNX-KRWDZBQOSA-N 1 0 269.392 3.356 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC001506399903 937989628 /nfs/dbraw/zinc/98/96/28/937989628.db2.gz RMFHSOXLKHKAAM-SNVBAGLBSA-N 1 0 297.324 3.041 50 0 CGAARO CN(Cc1ccoc1)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001506414268 937989777 /nfs/dbraw/zinc/98/97/77/937989777.db2.gz XGBVYEROLAJWCI-GOSISDBHSA-N 1 0 284.403 3.376 50 0 CGAARO Cc1nc(N2CCC([C@H](C)[NH+](C)C)CC2)ccc1Cl ZINC001506419268 937989814 /nfs/dbraw/zinc/98/98/14/937989814.db2.gz YLSUFAWAUFLHAM-LBPRGKRZSA-N 1 0 281.831 3.210 50 0 CGAARO C[N@@H+]1CCC[C@H](Nc2ccc3cc(Cl)ccc3n2)C1 ZINC001506424395 937990098 /nfs/dbraw/zinc/99/00/98/937990098.db2.gz JOPDUGXJWDSKAI-ZDUSSCGKSA-N 1 0 275.783 3.394 50 0 CGAARO Cc1noc(C)c1C[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000096486380 230381714 /nfs/dbraw/zinc/38/17/14/230381714.db2.gz VODFCTBRBOVMEJ-HWPZZCPQSA-N 1 0 292.354 3.032 50 0 CGAARO Cc1ccc(NC2CC[NH+](CCCn3ccnc3)CC2)cc1 ZINC000096493101 230383383 /nfs/dbraw/zinc/38/33/83/230383383.db2.gz QXHLLTMEOLXEMG-UHFFFAOYSA-N 1 0 298.434 3.158 50 0 CGAARO Fc1ccccc1C[N@H+](CC1CC1)C1CCOCC1 ZINC000097016228 230386306 /nfs/dbraw/zinc/38/63/06/230386306.db2.gz VRDVQODHSNHBLS-UHFFFAOYSA-N 1 0 263.356 3.217 50 0 CGAARO CSC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000095968290 185046916 /nfs/dbraw/zinc/04/69/16/185046916.db2.gz CYNSCETXJPJUCK-ZWNOBZJWSA-N 1 0 273.829 3.105 50 0 CGAARO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000096004846 185062685 /nfs/dbraw/zinc/06/26/85/185062685.db2.gz ZHBUKCLQHNYEKC-HNNXBMFYSA-N 1 0 297.398 3.176 50 0 CGAARO Cc1nc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cs1 ZINC000096004738 185062951 /nfs/dbraw/zinc/06/29/51/185062951.db2.gz SUZULDOCJMIDOX-TZMCWYRMSA-N 1 0 293.480 3.194 50 0 CGAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000096010204 185064531 /nfs/dbraw/zinc/06/45/31/185064531.db2.gz SGBJOMPAKVYWQX-LBPRGKRZSA-N 1 0 296.436 3.095 50 0 CGAARO C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000033641197 344936202 /nfs/dbraw/zinc/93/62/02/344936202.db2.gz YKOCMDWBEFLPCK-QGZVFWFLSA-N 1 0 273.351 3.493 50 0 CGAARO CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000040449154 344962372 /nfs/dbraw/zinc/96/23/72/344962372.db2.gz USNILLZDFJEBTP-CHWSQXEVSA-N 1 0 284.444 3.458 50 0 CGAARO C([NH2+]C1CCC2(CC1)OCCO2)C1CCCCCC1 ZINC000072312302 345409998 /nfs/dbraw/zinc/40/99/98/345409998.db2.gz AFRKVZVNSXUBRN-UHFFFAOYSA-N 1 0 267.413 3.232 50 0 CGAARO C[C@H]([NH2+]CCCc1nc2ccccc2o1)[C@H](C)n1cccn1 ZINC000075606640 345514509 /nfs/dbraw/zinc/51/45/09/345514509.db2.gz SQDACDQRGJENLW-KBPBESRZSA-N 1 0 298.390 3.196 50 0 CGAARO Fc1ccc(C2(C[NH2+][C@H]3CCOC3)CCCC2)cc1 ZINC000088683068 345762848 /nfs/dbraw/zinc/76/28/48/345762848.db2.gz HBLIVZMZYRARPD-HNNXBMFYSA-N 1 0 263.356 3.016 50 0 CGAARO CC(C)[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000096027755 345901645 /nfs/dbraw/zinc/90/16/45/345901645.db2.gz ACGVYTIEQFECFQ-GOSISDBHSA-N 1 0 299.414 3.152 50 0 CGAARO OC(Cc1ccccc1)(Cc1ccccc1)C[NH+]1CCCC1 ZINC000096027142 345902013 /nfs/dbraw/zinc/90/20/13/345902013.db2.gz KASPYALTALDKDY-UHFFFAOYSA-N 1 0 295.426 3.299 50 0 CGAARO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2[C@H](C)c2cccnc2)n1 ZINC000106843694 345933280 /nfs/dbraw/zinc/93/32/80/345933280.db2.gz YGPOTJIDBWROFQ-WBVHZDCISA-N 1 0 284.407 3.121 50 0 CGAARO OCc1cccc(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000170608704 346194776 /nfs/dbraw/zinc/19/47/76/346194776.db2.gz GRAWQDXYLFRYSZ-UHFFFAOYSA-N 1 0 288.435 3.388 50 0 CGAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000195575812 346274718 /nfs/dbraw/zinc/27/47/18/346274718.db2.gz DNNCXPVYZFDTGG-DOTOQJQBSA-N 1 0 292.467 3.215 50 0 CGAARO CC(C)C[C@@H]1CN(Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC000085435087 179062333 /nfs/dbraw/zinc/06/23/33/179062333.db2.gz KEAWWZLEDATLRK-OAHLLOKOSA-N 1 0 266.816 3.160 50 0 CGAARO Fc1cc(F)cc(C2([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000584892183 346722008 /nfs/dbraw/zinc/72/20/08/346722008.db2.gz KZPGYOZQFUCNFT-GFCCVEGCSA-N 1 0 255.333 3.049 50 0 CGAARO CC(C)CC1(C)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000585141221 346725175 /nfs/dbraw/zinc/72/51/75/346725175.db2.gz RPEFELDUGSEPHR-UHFFFAOYSA-N 1 0 262.397 3.435 50 0 CGAARO Cc1cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)ccc1F ZINC000339458884 215187096 /nfs/dbraw/zinc/18/70/96/215187096.db2.gz CJLZVAYHRGFAQY-LLVKDONJSA-N 1 0 260.312 3.086 50 0 CGAARO CC(=O)N1CCC(CC[NH2+]Cc2c(C)cccc2C)CC1 ZINC000091062716 180093069 /nfs/dbraw/zinc/09/30/69/180093069.db2.gz VLTXQXPTLAWBFX-UHFFFAOYSA-N 1 0 288.435 3.042 50 0 CGAARO c1cc(C[NH2+]C[C@H]2C[C@@]23CCCc2ccccc23)c[nH]1 ZINC000366115792 234150505 /nfs/dbraw/zinc/15/05/05/234150505.db2.gz UNJUCVMHKSBPPP-AEFFLSMTSA-N 1 0 266.388 3.399 50 0 CGAARO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCNc3ccccc3)C[C@H]2C1 ZINC000424311950 236145930 /nfs/dbraw/zinc/14/59/30/236145930.db2.gz LOMGCNWQEZROCL-JQKHNHIHSA-N 1 0 288.435 3.282 50 0 CGAARO C[C@@H](c1nc(-c2ccsn2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000297159711 200101571 /nfs/dbraw/zinc/10/15/71/200101571.db2.gz CUVLBEHHUBOABO-AEJSXWLSSA-N 1 0 278.381 3.127 50 0 CGAARO OC[C@@H]1CCC[C@H](C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000342255864 216281617 /nfs/dbraw/zinc/28/16/17/216281617.db2.gz WDINVYDJPJQAQD-QWHCGFSZSA-N 1 0 290.382 3.195 50 0 CGAARO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1ccccc1F ZINC000180979891 189285571 /nfs/dbraw/zinc/28/55/71/189285571.db2.gz NFYHNHRRTOZLOT-HNNXBMFYSA-N 1 0 281.371 3.062 50 0 CGAARO CSC[C@H](C)[NH2+]CC1(N2CCCCC2)CCCC1 ZINC000824891360 800472566 /nfs/dbraw/zinc/47/25/66/800472566.db2.gz DEWDJDDJHKCSJI-AWEZNQCLSA-N 1 0 270.486 3.126 50 0 CGAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000191347071 189592637 /nfs/dbraw/zinc/59/26/37/189592637.db2.gz DPTVCXPYYRFPCS-CQSZACIVSA-N 1 0 296.370 3.042 50 0 CGAARO Cc1ccc2c(cc(CN3CCC[C@H]([NH+](C)C)C3)n2C)c1 ZINC000215063284 189690973 /nfs/dbraw/zinc/69/09/73/189690973.db2.gz ZALZOCLZPTXPTP-INIZCTEOSA-N 1 0 285.435 3.013 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@@H]3CCCc4cn[nH]c43)ccc2n1 ZINC000275667676 193100859 /nfs/dbraw/zinc/10/08/59/193100859.db2.gz WXGBHSPCWPAFFZ-QGZVFWFLSA-N 1 0 292.386 3.434 50 0 CGAARO COc1ccccc1[C@H](CC[NH3+])[C@H]1CCOC(C)(C)C1 ZINC000000206862 368315939 /nfs/dbraw/zinc/31/59/39/368315939.db2.gz YSDNSMKWEDSRLY-UONOGXRCSA-N 1 0 277.408 3.333 50 0 biogenic CGAARO CN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1 ZINC000000155144 368305428 /nfs/dbraw/zinc/30/54/28/368305428.db2.gz JPIYZTWMUGTEHX-UHFFFAOYSA-N 1 0 267.376 3.235 50 0 in-vitro CGAARO Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)c1 ZINC000000176300 368309352 /nfs/dbraw/zinc/30/93/52/368309352.db2.gz TUTMXUDWEVNJIT-AWEZNQCLSA-N 1 0 260.381 3.056 50 0 CGAARO Cc1cc2nc(SCC[NH+]3CCCC3)[nH]c2cc1C ZINC000000191586 368313102 /nfs/dbraw/zinc/31/31/02/368313102.db2.gz YMAARERCUMHOKE-UHFFFAOYSA-N 1 0 275.421 3.368 50 0 CGAARO CCC(CC)[NH2+]Cc1ccc(OC)c(C)c1OC ZINC000000263371 368328250 /nfs/dbraw/zinc/32/82/50/368328250.db2.gz JBKOBZHFYGCPLW-UHFFFAOYSA-N 1 0 251.370 3.290 50 0 CGAARO COc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000000271634 368329373 /nfs/dbraw/zinc/32/93/73/368329373.db2.gz IUZLJHFEVNYLAW-HNNXBMFYSA-N 1 0 266.344 3.267 50 0 biogenic CGAARO Cc1ccc(N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000000276946 368331026 /nfs/dbraw/zinc/33/10/26/368331026.db2.gz JHBLFUDACGRQMD-UHFFFAOYSA-N 1 0 272.417 3.379 50 0 CGAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CC1 ZINC000000279082 368332019 /nfs/dbraw/zinc/33/20/19/368332019.db2.gz WLKYHOVJZNZCGL-UHFFFAOYSA-N 1 0 263.381 3.326 50 0 CGAARO NNc1[nH+]c(-c2ccccc2Cl)nc2ccccc21 ZINC000000337387 368342752 /nfs/dbraw/zinc/34/27/52/368342752.db2.gz MXFVFKSARKQTOV-UHFFFAOYSA-N 1 0 270.723 3.236 50 0 CGAARO CCC(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000372108 368352126 /nfs/dbraw/zinc/35/21/26/368352126.db2.gz PYULMQUYQWMIIR-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CC[N@@H+]1CCC[C@H]1CNc1[nH]c(=S)nc2ccccc21 ZINC000000424999 368362508 /nfs/dbraw/zinc/36/25/08/368362508.db2.gz ISDPFHRQASNMSW-NSHDSACASA-N 1 0 288.420 3.189 50 0 CGAARO CC(C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000819237 368396411 /nfs/dbraw/zinc/39/64/11/368396411.db2.gz XZXZOIUYPJKPSR-UHFFFAOYSA-N 1 0 294.826 3.077 50 0 CGAARO C[NH+](C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000001596087 368422045 /nfs/dbraw/zinc/42/20/45/368422045.db2.gz PFXOQDVIRVFOSP-UHFFFAOYSA-N 1 0 297.398 3.097 50 0 CGAARO COc1ccc(CC[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000001998906 368443085 /nfs/dbraw/zinc/44/30/85/368443085.db2.gz LDYNNMUCKWFGGL-UHFFFAOYSA-N 1 0 285.387 3.079 50 0 CGAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000002582521 368467451 /nfs/dbraw/zinc/46/74/51/368467451.db2.gz CNUONIQYWHGUDA-QGZVFWFLSA-N 1 0 299.370 3.219 50 0 CGAARO [NH3+]CCSc1nc(-c2ccc(F)cc2)cs1 ZINC000003311799 368501454 /nfs/dbraw/zinc/50/14/54/368501454.db2.gz HJZLLOYNUBAIHD-UHFFFAOYSA-N 1 0 254.355 3.000 50 0 CGAARO C[C@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1 ZINC000002822660 368479583 /nfs/dbraw/zinc/47/95/83/368479583.db2.gz YKYJALSJLXEINP-INIZCTEOSA-N 1 0 285.387 3.433 50 0 CGAARO CCc1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000002896649 368485614 /nfs/dbraw/zinc/48/56/14/368485614.db2.gz ZFHKSYNERSJXFY-UHFFFAOYSA-N 1 0 277.408 3.130 50 0 CGAARO CCCC[NH2+]CCOCCOc1ccc(C)c(C)c1 ZINC000002981069 368486771 /nfs/dbraw/zinc/48/67/71/368486771.db2.gz PAFZROFBPDSFCT-UHFFFAOYSA-N 1 0 265.397 3.089 50 0 CGAARO COc1ccc(NC(=O)[C@@H](C)[NH2+]CC2CCCCC2)cc1 ZINC000003233400 368497220 /nfs/dbraw/zinc/49/72/20/368497220.db2.gz YQSSBJBQQPLIKC-CYBMUJFWSA-N 1 0 290.407 3.192 50 0 CGAARO CC(C)Nc1ccc(N2CCC(CCCO)CC2)cc1 ZINC000008700992 368573522 /nfs/dbraw/zinc/57/35/22/368573522.db2.gz KNKZDNVPNKHSIT-UHFFFAOYSA-N 1 0 276.424 3.496 50 0 CGAARO COc1cc2c(cc1OC)[C@H](C(C)C)[NH2+]C(C)(C)C2 ZINC000005911893 368566279 /nfs/dbraw/zinc/56/62/79/368566279.db2.gz JJJVELHBFGBXKV-HNNXBMFYSA-N 1 0 263.381 3.325 50 0 CGAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2OC)cc1 ZINC000012383623 368610828 /nfs/dbraw/zinc/61/08/28/368610828.db2.gz RQOHWKOBAUPFCN-OAHLLOKOSA-N 1 0 299.414 3.467 50 0 CGAARO COc1cccc(CC[NH2+]Cc2cn(C(C)C)nc2C)c1 ZINC000012398295 368611490 /nfs/dbraw/zinc/61/14/90/368611490.db2.gz NGLGRJFFNQIYPS-UHFFFAOYSA-N 1 0 287.407 3.113 50 0 CGAARO C[n+]1c(SCc2ccc(Cl)cc2)cn2c1CCC2 ZINC000017139163 368728390 /nfs/dbraw/zinc/72/83/90/368728390.db2.gz QFAGHAVEMMBXGF-UHFFFAOYSA-N 1 0 279.816 3.205 50 0 CGAARO C1CCC(N2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000019900040 368776055 /nfs/dbraw/zinc/77/60/55/368776055.db2.gz GONKRCRIASHYQM-UHFFFAOYSA-N 1 0 250.430 3.269 50 0 CGAARO CC[C@H]1C[N@H+](CCC2CCCCCC2)CCN1C ZINC000019228147 368745660 /nfs/dbraw/zinc/74/56/60/368745660.db2.gz RWLSWTKSWHVICV-INIZCTEOSA-N 1 0 252.446 3.373 50 0 CGAARO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc12 ZINC000023281460 368820379 /nfs/dbraw/zinc/82/03/79/368820379.db2.gz GCANELQTSDSUOB-ZIAGYGMSSA-N 1 0 285.387 3.458 50 0 CGAARO C[NH+](C)[C@H](CNc1nc2ccccc2o1)Cc1ccccc1 ZINC000024985891 368839317 /nfs/dbraw/zinc/83/93/17/368839317.db2.gz WEOMNYBSEZILGT-HNNXBMFYSA-N 1 0 295.386 3.413 50 0 CGAARO Brc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000026894292 368865540 /nfs/dbraw/zinc/86/55/40/368865540.db2.gz MFIMYAPBXRJWMQ-UHFFFAOYSA-N 1 0 279.181 3.397 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCC2)cc1 ZINC000028288183 368885183 /nfs/dbraw/zinc/88/51/83/368885183.db2.gz JBRKNFZGCLSHLH-MRXNPFEDSA-N 1 0 298.386 3.155 50 0 CGAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000030640820 368905193 /nfs/dbraw/zinc/90/51/93/368905193.db2.gz BFPJPGACVHUYCW-ZDUSSCGKSA-N 1 0 283.375 3.281 50 0 CGAARO C[N@@H+]1CCC[C@@H](CSc2cccc(Cl)n2)C1 ZINC000034523260 368975129 /nfs/dbraw/zinc/97/51/29/368975129.db2.gz FURBUUJUFWMMOW-SNVBAGLBSA-N 1 0 256.802 3.169 50 0 CGAARO CCC[N@@H+](Cc1nc(-c2ccc(C=O)cc2)no1)CC1CC1 ZINC000034924920 368979664 /nfs/dbraw/zinc/97/96/64/368979664.db2.gz XVCHPUYCFSWAHK-UHFFFAOYSA-N 1 0 299.374 3.171 50 0 CGAARO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C)o1)c1ccco1 ZINC000032547724 368935872 /nfs/dbraw/zinc/93/58/72/368935872.db2.gz OHCHPUDYFQQEBL-HNNXBMFYSA-N 1 0 276.380 3.354 50 0 CGAARO CC(C)CC[NH2+]CC1(N2CCOCC2)CCCCCC1 ZINC000032550911 368936015 /nfs/dbraw/zinc/93/60/15/368936015.db2.gz ZTRPJIHLEYGFKV-UHFFFAOYSA-N 1 0 282.472 3.047 50 0 CGAARO O=C(C[C@@H]1C=CCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911483 368952805 /nfs/dbraw/zinc/95/28/05/368952805.db2.gz LMRFKEOEDQVXBQ-SJLPKXTDSA-N 1 0 298.430 3.124 50 0 CGAARO Cc1cc(C)c(C[NH2+]C[C@H](O)c2ccccc2)c(C)c1 ZINC000035111661 368997677 /nfs/dbraw/zinc/99/76/77/368997677.db2.gz QLSIKEPNDHIEEJ-SFHVURJKSA-N 1 0 269.388 3.435 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000035012654 368989967 /nfs/dbraw/zinc/98/99/67/368989967.db2.gz HUPLASFKOGRFPO-ZDUSSCGKSA-N 1 0 267.332 3.316 50 0 CGAARO Brc1cccc(C[C@@H]2CCCC[NH2+]2)c1 ZINC000041324139 369181951 /nfs/dbraw/zinc/18/19/51/369181951.db2.gz MFHJYWWTKDBKNH-LBPRGKRZSA-N 1 0 254.171 3.134 50 0 CGAARO Clc1cc(-c2ccccc2)ccc1OC1C[NH2+]C1 ZINC000042769608 369231123 /nfs/dbraw/zinc/23/11/23/369231123.db2.gz PBODHWQJNNLNJM-UHFFFAOYSA-N 1 0 259.736 3.358 50 0 CGAARO CCCc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050944034 369444941 /nfs/dbraw/zinc/44/49/41/369444941.db2.gz UUQAKTDDIAOMSN-UHFFFAOYSA-N 1 0 274.408 3.357 50 0 CGAARO CC1CC[NH+](CCNC(=O)c2sccc2C2CC2)CC1 ZINC000049376736 369400202 /nfs/dbraw/zinc/40/02/02/369400202.db2.gz ABHZFYRAFKKUTD-UHFFFAOYSA-N 1 0 292.448 3.087 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c(OC)c1 ZINC000050268037 369432935 /nfs/dbraw/zinc/43/29/35/369432935.db2.gz YLSUYFXPYHEORI-TZMCWYRMSA-N 1 0 277.364 3.047 50 0 CGAARO CC(C)NC(=O)CC[N@H+](C)Cc1csc2ccccc12 ZINC000051853520 369456563 /nfs/dbraw/zinc/45/65/63/369456563.db2.gz VXENSDIJMJYTJL-UHFFFAOYSA-N 1 0 290.432 3.248 50 0 CGAARO CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H](C)COC ZINC000052219587 369467598 /nfs/dbraw/zinc/46/75/98/369467598.db2.gz BPKHAUZZURVOIL-GFCCVEGCSA-N 1 0 292.354 3.338 50 0 CGAARO CC(C)Oc1ccccc1C[NH2+]CCOc1ccccn1 ZINC000057353369 369536734 /nfs/dbraw/zinc/53/67/34/369536734.db2.gz VHZMULYATRJODD-UHFFFAOYSA-N 1 0 286.375 3.037 50 0 CGAARO CCn1nc(C)c(C[N@H+](CC)CC[C@H](C)SC)c1C ZINC000055343383 369514292 /nfs/dbraw/zinc/51/42/92/369514292.db2.gz OPORUTUCSREIDB-LBPRGKRZSA-N 1 0 283.485 3.483 50 0 CGAARO c1coc(C[N@H+](Cc2ccsc2)C[C@H]2CCOC2)c1 ZINC000055393131 369516321 /nfs/dbraw/zinc/51/63/21/369516321.db2.gz LLNZOHQOHVPPBS-CYBMUJFWSA-N 1 0 277.389 3.380 50 0 CGAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000056503214 369525473 /nfs/dbraw/zinc/52/54/73/369525473.db2.gz WVXBPBROOHOSGF-QWHCGFSZSA-N 1 0 293.386 3.068 50 0 CGAARO O=C(c1ccccc1Cl)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058328805 369563528 /nfs/dbraw/zinc/56/35/28/369563528.db2.gz IBDVHBQDRHLBBU-CYBMUJFWSA-N 1 0 292.810 3.040 50 0 CGAARO CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000058378667 369566167 /nfs/dbraw/zinc/56/61/67/369566167.db2.gz QOLXAVMFJOVKFL-HNNXBMFYSA-N 1 0 297.402 3.444 50 0 CGAARO COc1c(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)c(C)nn1C ZINC000058381191 369566331 /nfs/dbraw/zinc/56/63/31/369566331.db2.gz WPBCZVFLAJYINC-QGZVFWFLSA-N 1 0 299.418 3.286 50 0 CGAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)c1 ZINC000058393177 369567771 /nfs/dbraw/zinc/56/77/71/369567771.db2.gz DWMHNVKFCINAAU-QGZVFWFLSA-N 1 0 268.360 3.427 50 0 CGAARO Fc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(Cl)c1 ZINC000060363297 369585818 /nfs/dbraw/zinc/58/58/18/369585818.db2.gz AFOPEYWUXGKSCL-GFCCVEGCSA-N 1 0 299.773 3.064 50 0 CGAARO FC(F)(F)c1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000060374483 369586826 /nfs/dbraw/zinc/58/68/26/369586826.db2.gz WGRRWEGLTNDWPS-HNNXBMFYSA-N 1 0 298.352 3.376 50 0 CGAARO CCn1cnnc1[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000065287808 369667991 /nfs/dbraw/zinc/66/79/91/369667991.db2.gz CSZQUMIIBQBMOE-CQSZACIVSA-N 1 0 276.428 3.200 50 0 CGAARO Cn1cc(CCC[N@H+](C)Cc2cc3ccccc3o2)cn1 ZINC000065459385 369676989 /nfs/dbraw/zinc/67/69/89/369676989.db2.gz SXZRCZLDJAMJPZ-UHFFFAOYSA-N 1 0 283.375 3.231 50 0 CGAARO CNC(=O)C(C)(C)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000065451827 369677663 /nfs/dbraw/zinc/67/76/63/369677663.db2.gz YCXSKOANVQKUCX-UHFFFAOYSA-N 1 0 296.414 3.310 50 0 CGAARO FC(F)(F)c1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065622403 369685507 /nfs/dbraw/zinc/68/55/07/369685507.db2.gz YASUGNQSGOXDMS-OAHLLOKOSA-N 1 0 298.352 3.376 50 0 CGAARO CC[C@H]([NH2+]C1CSCCSC1)c1cc(C)ccn1 ZINC000067675313 369724400 /nfs/dbraw/zinc/72/44/00/369724400.db2.gz IRUSSRIFNNVDCJ-ZDUSSCGKSA-N 1 0 282.478 3.279 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCN(C)C(=O)/C=C/c1ccccc1 ZINC000067690753 369726057 /nfs/dbraw/zinc/72/60/57/369726057.db2.gz DUDKSCHZYSBUMW-LPQFERQCSA-N 1 0 286.419 3.033 50 0 CGAARO COc1cccc(OC)c1-c1cccc([C@@H](C)[NH3+])c1 ZINC000067741443 369727127 /nfs/dbraw/zinc/72/71/27/369727127.db2.gz HAZLKTUGLMUVHD-LLVKDONJSA-N 1 0 257.333 3.391 50 0 CGAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[NH2+]C1 ZINC000067754709 369727259 /nfs/dbraw/zinc/72/72/59/369727259.db2.gz HZXZEMMLQNMELL-BHMZLHOFSA-N 1 0 273.376 3.023 50 0 CGAARO CCSC[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000067742523 369727276 /nfs/dbraw/zinc/72/72/76/369727276.db2.gz COPVYBARKKXJID-VIFPVBQESA-N 1 0 283.828 3.448 50 0 CGAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1 ZINC000069918181 369774668 /nfs/dbraw/zinc/77/46/68/369774668.db2.gz MIBODEGESIWBHX-MRXNPFEDSA-N 1 0 283.375 3.180 50 0 CGAARO C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@H](C)n1cccn1 ZINC000069973902 369776136 /nfs/dbraw/zinc/77/61/36/369776136.db2.gz SMEWFOFGTYAMFM-KBPBESRZSA-N 1 0 296.374 3.277 50 0 CGAARO CC[NH+](CC)CC(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000088466554 370035522 /nfs/dbraw/zinc/03/55/22/370035522.db2.gz MGVUITWPGLVGGC-UHFFFAOYSA-N 1 0 278.396 3.104 50 0 CGAARO Cc1[nH+]c(CNC(=O)c2cc(C)cc(C)c2)c2ccccn12 ZINC000089585164 370043312 /nfs/dbraw/zinc/04/33/12/370043312.db2.gz APRCEUJLVJMPNP-UHFFFAOYSA-N 1 0 293.370 3.190 50 0 CGAARO Cc1ncn(C[C@H](C)[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000089547603 370043711 /nfs/dbraw/zinc/04/37/11/370043711.db2.gz ZRDCOVYMMNXYMQ-ZDUSSCGKSA-N 1 0 296.418 3.202 50 0 CGAARO COc1ccccc1[C@@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000090534923 370062448 /nfs/dbraw/zinc/06/24/48/370062448.db2.gz VGYJDHWNVPEFQT-QGZVFWFLSA-N 1 0 287.359 3.146 50 0 CGAARO COc1cccc(F)c1[C@H](C)[NH2+]CCCc1c[nH]nc1C ZINC000095420034 370186302 /nfs/dbraw/zinc/18/63/02/370186302.db2.gz GGQFCHVENVOWAH-LBPRGKRZSA-N 1 0 291.370 3.149 50 0 CGAARO C[S@@](=O)c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000095409640 370183677 /nfs/dbraw/zinc/18/36/77/370183677.db2.gz XLSHDABJEKNGQL-FQEVSTJZSA-N 1 0 285.412 3.203 50 0 CGAARO Cc1nc(C[NH2+]CCNc2ccc3ccccc3n2)cs1 ZINC000095409604 370183939 /nfs/dbraw/zinc/18/39/39/370183939.db2.gz CAUAEVUMSSVMHY-UHFFFAOYSA-N 1 0 298.415 3.201 50 0 CGAARO COc1ccccc1NC1CC[NH+](Cc2ccco2)CC1 ZINC000093817078 370161468 /nfs/dbraw/zinc/16/14/68/370161468.db2.gz WZYOAGXTXBGBNK-UHFFFAOYSA-N 1 0 286.375 3.365 50 0 CGAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000097099523 370224376 /nfs/dbraw/zinc/22/43/76/370224376.db2.gz ZZNUUCIKATWNML-HZPDHXFCSA-N 1 0 285.391 3.269 50 0 CGAARO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1nc2ccccc2o1 ZINC000097111565 370228092 /nfs/dbraw/zinc/22/80/92/370228092.db2.gz KIKYNDNEOBKDMZ-GVXVVHGQSA-N 1 0 260.337 3.046 50 0 CGAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCn1ccnc1 ZINC000097379775 370241098 /nfs/dbraw/zinc/24/10/98/370241098.db2.gz JSJGQMZJJHCHEM-CVEARBPZSA-N 1 0 269.392 3.055 50 0 CGAARO O=C(NCC[C@@H]1CCC[NH2+]1)Nc1ccc2ccccc2c1 ZINC000097413325 370242414 /nfs/dbraw/zinc/24/24/14/370242414.db2.gz ILDJSYLYUCWLSL-HNNXBMFYSA-N 1 0 283.375 3.103 50 0 CGAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)o1 ZINC000095421127 370188390 /nfs/dbraw/zinc/18/83/90/370188390.db2.gz BACGQCABBWHIAE-CYBMUJFWSA-N 1 0 296.374 3.274 50 0 CGAARO Cn1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cn1 ZINC000095420755 370188879 /nfs/dbraw/zinc/18/88/79/370188879.db2.gz NPCCXUSIOMDKCL-AWEZNQCLSA-N 1 0 291.782 3.077 50 0 CGAARO c1ccc(-c2nnc(SCC[C@@H]3CCCC[NH2+]3)o2)cc1 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ZINC000670461588 543156892 /nfs/dbraw/zinc/15/68/92/543156892.db2.gz ULDYBBHIOHYUNM-QGZVFWFLSA-N 1 0 298.434 3.223 50 0 CGAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000101433339 397644884 /nfs/dbraw/zinc/64/48/84/397644884.db2.gz WUXAOXWZYNPWBE-GHYUKZRQSA-N 1 0 298.430 3.175 50 0 CGAARO CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccncc3)no2)C1 ZINC000105580023 397651246 /nfs/dbraw/zinc/65/12/46/397651246.db2.gz XCCXJSVQADXRJN-CHWSQXEVSA-N 1 0 286.379 3.315 50 0 CGAARO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000198664261 397664466 /nfs/dbraw/zinc/66/44/66/397664466.db2.gz QTBZFDUFDZXXRW-AWEZNQCLSA-N 1 0 284.403 3.357 50 0 CGAARO CCOC(C)(C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000193324955 285984090 /nfs/dbraw/zinc/98/40/90/285984090.db2.gz RVNOMIKTUOWXEH-OAHLLOKOSA-N 1 0 262.397 3.338 50 0 CGAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249181901 304828840 /nfs/dbraw/zinc/82/88/40/304828840.db2.gz INTHERKCYBJFMN-CYDGBPFRSA-N 1 0 279.346 3.248 50 0 CGAARO COc1ccccc1OCCCCC[NH+]1CCCC1 ZINC000002880511 169840684 /nfs/dbraw/zinc/84/06/84/169840684.db2.gz HGQNGYCTJCESGS-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO CC(=O)CCc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000004842562 170029114 /nfs/dbraw/zinc/02/91/14/170029114.db2.gz PMTSLCSCIGWQAW-UHFFFAOYSA-N 1 0 289.419 3.463 50 0 CGAARO c1ccc(C(c2n[nH]c3c2C[NH2+]CC3)c2ccccc2)cc1 ZINC000004945688 170044123 /nfs/dbraw/zinc/04/41/23/170044123.db2.gz BWEUTDCTFFGGTR-UHFFFAOYSA-N 1 0 289.382 3.236 50 0 CGAARO CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC ZINC000005019487 170056393 /nfs/dbraw/zinc/05/63/93/170056393.db2.gz DWUDXMQLODICBH-UHFFFAOYSA-N 1 0 275.348 3.367 50 0 CGAARO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2)cc1 ZINC000006647992 170221919 /nfs/dbraw/zinc/22/19/19/170221919.db2.gz PQBNRPOSJJLCGG-UHFFFAOYSA-N 1 0 282.387 3.049 50 0 CGAARO CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CO ZINC000006662580 170223504 /nfs/dbraw/zinc/22/35/04/170223504.db2.gz SBGQPDDSUWFKKO-UHFFFAOYSA-N 1 0 273.376 3.099 50 0 CGAARO Fc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000006730556 170235046 /nfs/dbraw/zinc/23/50/46/170235046.db2.gz JXYZWTJKUBFSIT-CQSZACIVSA-N 1 0 275.323 3.354 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000006742747 170238210 /nfs/dbraw/zinc/23/82/10/170238210.db2.gz VNKQZICVIXMGNS-CYBMUJFWSA-N 1 0 269.344 3.309 50 0 CGAARO COCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000006747333 170239675 /nfs/dbraw/zinc/23/96/75/170239675.db2.gz GIHRLGKERILGHW-UHFFFAOYSA-N 1 0 285.387 3.310 50 0 CGAARO CCOc1ccc(C[NH2+]C(C)(C)CC)cc1OC ZINC000007260717 170273791 /nfs/dbraw/zinc/27/37/91/170273791.db2.gz NKNKLOFXXURGFT-UHFFFAOYSA-N 1 0 251.370 3.372 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000019720906 170843168 /nfs/dbraw/zinc/84/31/68/170843168.db2.gz YLVFFAZLNUSIAI-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO Brc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020221705 171082999 /nfs/dbraw/zinc/08/29/99/171082999.db2.gz LTVRLNNKCKSBMC-GFCCVEGCSA-N 1 0 284.197 3.360 50 0 CGAARO C[C@@H]1CCCC[N@@H+]1CCCn1cnc2ccccc21 ZINC000020534446 171240621 /nfs/dbraw/zinc/24/06/21/171240621.db2.gz LIFVNCMIGUWXRA-CQSZACIVSA-N 1 0 257.381 3.301 50 0 CGAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020543721 171242834 /nfs/dbraw/zinc/24/28/34/171242834.db2.gz WQMYDINQTJMXHT-UHFFFAOYSA-N 1 0 287.407 3.087 50 0 CGAARO COc1cccc(C[C@@H]2C[N@@H+](C3CCCCC3)CCO2)c1 ZINC000020774124 171272169 /nfs/dbraw/zinc/27/21/69/171272169.db2.gz HLSIBMGKWZNRAA-GOSISDBHSA-N 1 0 289.419 3.271 50 0 CGAARO c1ccc(CC[C@H]2C[N@@H+](C3CCSCC3)CCO2)cc1 ZINC000020919286 171279997 /nfs/dbraw/zinc/27/99/97/171279997.db2.gz NJNGOOZMKJJSAC-KRWDZBQOSA-N 1 0 291.460 3.216 50 0 CGAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000021720904 171320551 /nfs/dbraw/zinc/32/05/51/171320551.db2.gz ZFGVKPTUNHOIDW-AWEZNQCLSA-N 1 0 271.364 3.278 50 0 CGAARO C1C[C@H]2[C@@H](C3CCCCC3)N([C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000022078504 171352625 /nfs/dbraw/zinc/35/26/25/171352625.db2.gz SCAYWBJPDCRYKZ-IXDOHACOSA-N 1 0 294.508 3.221 50 0 CGAARO CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000022455473 171388428 /nfs/dbraw/zinc/38/84/28/171388428.db2.gz SVLDAGDSXNFTJE-UHFFFAOYSA-N 1 0 280.415 3.066 50 0 CGAARO CC(C)=CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455615 171388438 /nfs/dbraw/zinc/38/84/38/171388438.db2.gz SMXXOCRPBNSBCS-RMKNXTFCSA-N 1 0 270.420 3.284 50 0 CGAARO NC(=O)CC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000025697910 171464514 /nfs/dbraw/zinc/46/45/14/171464514.db2.gz IAXCAOTXOWQFTD-SFHVURJKSA-N 1 0 296.414 3.216 50 0 CGAARO CCOCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000035151218 172014624 /nfs/dbraw/zinc/01/46/24/172014624.db2.gz UJFXSUZYBBBRDS-SNVBAGLBSA-N 1 0 272.186 3.136 50 0 CGAARO c1ccc([C@@H]([NH2+]C[C@@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174613 172027961 /nfs/dbraw/zinc/02/79/61/172027961.db2.gz LFXVBZGVFLLDLM-ZWKOTPCHSA-N 1 0 282.387 3.330 50 0 CGAARO C[C@@H](Cc1ccco1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000035254728 172083831 /nfs/dbraw/zinc/08/38/31/172083831.db2.gz GVDRURLMXSTTCI-AWEZNQCLSA-N 1 0 281.359 3.186 50 0 CGAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc(Cl)c1OC ZINC000035273731 172094072 /nfs/dbraw/zinc/09/40/72/172094072.db2.gz FJQIOBOKGARUKG-GWCFXTLKSA-N 1 0 299.798 3.014 50 0 CGAARO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccs1 ZINC000035736806 172390000 /nfs/dbraw/zinc/39/00/00/172390000.db2.gz CRHCNUFSDTWGJL-WCQYABFASA-N 1 0 274.389 3.015 50 0 CGAARO CC(C)COCCC[NH2+]Cc1cc(F)ccc1F ZINC000037233264 173052660 /nfs/dbraw/zinc/05/26/60/173052660.db2.gz MXSKVLVFDYBMLN-UHFFFAOYSA-N 1 0 257.324 3.117 50 0 CGAARO CCCN(CCC)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049993 174185151 /nfs/dbraw/zinc/18/51/51/174185151.db2.gz FILDLHDZQMXSJZ-KRWDZBQOSA-N 1 0 288.435 3.254 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000040615114 174353472 /nfs/dbraw/zinc/35/34/72/174353472.db2.gz STELSPVIMHXYMS-OAHLLOKOSA-N 1 0 276.424 3.232 50 0 CGAARO Fc1ccc([C@H]([NH2+]C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000042817187 174886261 /nfs/dbraw/zinc/88/62/61/174886261.db2.gz OOXWLFPYKSAAJW-JKSUJKDBSA-N 1 0 263.356 3.436 50 0 CGAARO C(c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000046054575 175391558 /nfs/dbraw/zinc/39/15/58/175391558.db2.gz WNAJESNRSHUEAY-WCQYABFASA-N 1 0 261.369 3.102 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(F)c1F ZINC000054211746 175555550 /nfs/dbraw/zinc/55/55/50/175555550.db2.gz SWIYAUBEVMWONR-UHFFFAOYSA-N 1 0 290.313 3.327 50 0 CGAARO CC[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000057476743 175596529 /nfs/dbraw/zinc/59/65/29/175596529.db2.gz FCLAAKQIHWIKQY-FCLJQHQZSA-N 1 0 287.403 3.349 50 0 CGAARO Cc1ccc([C@@](O)(CC[NH2+]C2CCCC2)C(F)(F)F)o1 ZINC000058048165 175606564 /nfs/dbraw/zinc/60/65/64/175606564.db2.gz NMUZDHKTFXXBDU-ZDUSSCGKSA-N 1 0 291.313 3.260 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1cc2ccccc2s1 ZINC000058427778 175625377 /nfs/dbraw/zinc/62/53/77/175625377.db2.gz PKKDYCJCUKDXBN-UHFFFAOYSA-N 1 0 290.432 3.363 50 0 CGAARO C[C@H]([C@H](C)[NH2+]C/C=C/c1ccccc1)n1cccn1 ZINC000069414756 175827282 /nfs/dbraw/zinc/82/72/82/175827282.db2.gz WOXCOILEFBGPOT-SZVFQDTKSA-N 1 0 255.365 3.136 50 0 CGAARO CCc1nc(C)sc1C[NH+]1CC(c2cccnc2)C1 ZINC000071764584 176261902 /nfs/dbraw/zinc/26/19/02/176261902.db2.gz IGOZBHGUDQRMEN-UHFFFAOYSA-N 1 0 273.405 3.008 50 0 CGAARO COC(=O)CCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072126437 176320385 /nfs/dbraw/zinc/32/03/85/176320385.db2.gz SPBJWVXVURMDIS-HNNXBMFYSA-N 1 0 279.355 3.306 50 0 CGAARO CS[C@@H](C)CC[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000072138818 176322827 /nfs/dbraw/zinc/32/28/27/176322827.db2.gz CPBWKGIOCMMFPJ-INIZCTEOSA-N 1 0 292.492 3.254 50 0 CGAARO CCCc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000072137170 176323135 /nfs/dbraw/zinc/32/31/35/176323135.db2.gz GYPTUUZJFMUKKX-CQSZACIVSA-N 1 0 264.413 3.148 50 0 CGAARO Cc1cccc(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000078464441 177343574 /nfs/dbraw/zinc/34/35/74/177343574.db2.gz WFJXWDIOKRBMAD-UHFFFAOYSA-N 1 0 296.414 3.280 50 0 CGAARO CSC[C@@H](C)[NH2+][C@H](C)COc1c(C)cccc1C ZINC000020869152 274176866 /nfs/dbraw/zinc/17/68/66/274176866.db2.gz SCBFLUCRSJJJBR-ZIAGYGMSSA-N 1 0 267.438 3.412 50 0 CGAARO c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000023282804 275069983 /nfs/dbraw/zinc/06/99/83/275069983.db2.gz GAWVJKQEDCTMFN-INIZCTEOSA-N 1 0 281.355 3.062 50 0 CGAARO c1ccc2c(c1)SC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095420475 275070886 /nfs/dbraw/zinc/07/08/86/275070886.db2.gz YILNUZLPDPPEAS-NFAWXSAZSA-N 1 0 274.433 3.050 50 0 CGAARO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)OC1CCCCCC1 ZINC000230214439 275392680 /nfs/dbraw/zinc/39/26/80/275392680.db2.gz ZKDQOVMVDUPNEY-IAGOWNOFSA-N 1 0 281.440 3.369 50 0 CGAARO CC(C)c1ccsc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343514433 275757562 /nfs/dbraw/zinc/75/75/62/275757562.db2.gz JSMNKFBAEJYKTJ-INIZCTEOSA-N 1 0 292.448 3.087 50 0 CGAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc2sccc2c1 ZINC000262762099 278316956 /nfs/dbraw/zinc/31/69/56/278316956.db2.gz QURREHYUOWPQQC-BXUZGUMPSA-N 1 0 288.416 3.243 50 0 CGAARO CC[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)C1 ZINC000170606948 280303859 /nfs/dbraw/zinc/30/38/59/280303859.db2.gz XEODZTCLBLILDT-LTIDMASMSA-N 1 0 293.451 3.273 50 0 CGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccco1 ZINC000104264930 281129015 /nfs/dbraw/zinc/12/90/15/281129015.db2.gz UZXWVNVUOFWQOO-GDBMZVCRSA-N 1 0 296.370 3.036 50 0 CGAARO C[C@H]([NH2+]CCc1cccc(F)c1)c1cn2ccccc2n1 ZINC000551266874 289105935 /nfs/dbraw/zinc/10/59/35/289105935.db2.gz GYKYSABTKXWKPI-ZDUSSCGKSA-N 1 0 283.350 3.367 50 0 CGAARO c1sc(-c2cnccn2)nc1C[NH2+]C1CCCCC1 ZINC000534664025 328351455 /nfs/dbraw/zinc/35/14/55/328351455.db2.gz CWBUEQABFNVRIM-UHFFFAOYSA-N 1 0 274.393 3.022 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+]CC1(CO)CCCC1 ZINC000135076039 328449150 /nfs/dbraw/zinc/44/91/50/328449150.db2.gz RUCBRPDAKUPABR-OAHLLOKOSA-N 1 0 261.409 3.150 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)s1 ZINC000096477833 329526792 /nfs/dbraw/zinc/52/67/92/329526792.db2.gz GVMNVSAEBYULPY-PIGZYNQJSA-N 1 0 273.467 3.254 50 0 CGAARO CC[NH+](CC)CCNCc1ccc(-c2ccccc2)o1 ZINC000019872428 520686423 /nfs/dbraw/zinc/68/64/23/520686423.db2.gz OLQPEFPMMWCLBI-UHFFFAOYSA-N 1 0 272.392 3.378 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000067982944 521716744 /nfs/dbraw/zinc/71/67/44/521716744.db2.gz IMPKEZMHBWXSSW-CYBMUJFWSA-N 1 0 275.421 3.104 50 0 CGAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000067981967 526132261 /nfs/dbraw/zinc/13/22/61/526132261.db2.gz HITLTEJBUJYCGF-OAHLLOKOSA-N 1 0 292.386 3.460 50 0 CGAARO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C1CCOCC1 ZINC000096477507 526700263 /nfs/dbraw/zinc/70/02/63/526700263.db2.gz JMOVOVPPEPBVSJ-INIZCTEOSA-N 1 0 295.398 3.388 50 0 CGAARO c1cncc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000022078102 617926572 /nfs/dbraw/zinc/92/65/72/617926572.db2.gz ZBZHFLPQKHVHAB-RBUKOAKNSA-N 1 0 299.462 3.311 50 0 CGAARO C[C@H](C[NH2+]C[C@H]1CCCO1)COc1cccc(Cl)c1 ZINC000004845422 618641567 /nfs/dbraw/zinc/64/15/67/618641567.db2.gz CANACWMIUIUXRF-IUODEOHRSA-N 1 0 283.799 3.124 50 0 CGAARO Cc1cc(OCCCCCC[NH2+]CCO)cc(C)c1Cl ZINC000002899496 618652977 /nfs/dbraw/zinc/65/29/77/618652977.db2.gz SCZWRUHDENJKAD-UHFFFAOYSA-N 1 0 299.842 3.478 50 0 CGAARO CC[NH+](CC)CCOCCOc1cccc(C)c1C ZINC000004989574 619226560 /nfs/dbraw/zinc/22/65/60/619226560.db2.gz OTYJCFLETQVWGO-UHFFFAOYSA-N 1 0 265.397 3.041 50 0 CGAARO COCCC[NH2+][C@H](C)CC(C)(C)c1ccc(C)o1 ZINC000005031867 619229673 /nfs/dbraw/zinc/22/96/73/619229673.db2.gz GHWUGXLDFNKFED-GFCCVEGCSA-N 1 0 253.386 3.270 50 0 CGAARO C[C@H]([NH2+]CCCNc1ccccc1)[C@H]1CC1(F)F ZINC000888098876 619260470 /nfs/dbraw/zinc/26/04/70/619260470.db2.gz PVPGTQGWIVKLJY-WCQYABFASA-N 1 0 254.324 3.122 50 0 CGAARO O=C(c1ccc(Cl)o1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133448 624682799 /nfs/dbraw/zinc/68/27/99/624682799.db2.gz MNHVTNVJSKUXNN-LBPRGKRZSA-N 1 0 296.798 3.024 50 0 CGAARO CC(=O)Nc1nc(C[NH2+][C@@H](C)C2CCCCC2)cs1 ZINC000182941060 625037299 /nfs/dbraw/zinc/03/72/99/625037299.db2.gz PFICTVNPIFHHBD-JTQLQIEISA-N 1 0 281.425 3.160 50 0 CGAARO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984674 629720971 /nfs/dbraw/zinc/72/09/71/629720971.db2.gz YNYIZDSUTPASDS-QWHCGFSZSA-N 1 0 291.420 3.224 50 0 CGAARO COCC1(C[NH2+]Cc2c(Cl)cncc2Cl)CCC1 ZINC000865554220 630185144 /nfs/dbraw/zinc/18/51/44/630185144.db2.gz GIVLGKLWEGYMSE-UHFFFAOYSA-N 1 0 289.206 3.295 50 0 CGAARO C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820803344 632678919 /nfs/dbraw/zinc/67/89/19/632678919.db2.gz KGBJXTZKOGJTPL-XHDPSFHLSA-N 1 0 279.767 3.187 50 0 CGAARO CC(C)(C)C[C@H]([NH2+]Cc1cnc[nH]1)c1cccnc1 ZINC000952970957 636776050 /nfs/dbraw/zinc/77/60/50/636776050.db2.gz WPMGMRGCJANJTN-AWEZNQCLSA-N 1 0 258.369 3.072 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1OCCO)C1=CCCCC1 ZINC000952967535 636776105 /nfs/dbraw/zinc/77/61/05/636776105.db2.gz ARMBUPUVWHBNIL-CQSZACIVSA-N 1 0 275.392 3.036 50 0 CGAARO OCc1ccc(C[N@H+](C/C=C/c2ccccc2)C2CC2)o1 ZINC000952975095 636776179 /nfs/dbraw/zinc/77/61/79/636776179.db2.gz BZRLAOOTELLUOG-QPJJXVBHSA-N 1 0 283.371 3.450 50 0 CGAARO Cc1ccccc1N1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000952969267 636776371 /nfs/dbraw/zinc/77/63/71/636776371.db2.gz IUYOWWLZYYQQNF-AWEZNQCLSA-N 1 0 287.432 3.068 50 0 CGAARO Cc1n[nH]c(C[NH2+]CCCc2ccccc2F)c1Cl ZINC000952988688 636776759 /nfs/dbraw/zinc/77/67/59/636776759.db2.gz KJKFIKJOZCFNAP-UHFFFAOYSA-N 1 0 281.762 3.233 50 0 CGAARO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)on1 ZINC000952991358 636778241 /nfs/dbraw/zinc/77/82/41/636778241.db2.gz XVLHCWFPFSOZJQ-UHFFFAOYSA-N 1 0 299.374 3.221 50 0 CGAARO CC/C=C(/C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000096414007 640829194 /nfs/dbraw/zinc/82/91/94/640829194.db2.gz ZGPJMHNWVBEBJJ-AUWJEWJLSA-N 1 0 290.407 3.230 50 0 CGAARO COc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000277025 640921574 /nfs/dbraw/zinc/92/15/74/640921574.db2.gz HXEKKNXIQWDGBK-HZPDHXFCSA-N 1 0 288.435 3.396 50 0 CGAARO CCn1ccc2c1cccc2C[N@H+](C)CC1(CO)CCC1 ZINC000828685857 800483026 /nfs/dbraw/zinc/48/30/26/800483026.db2.gz HCWGRTJMLOBLFP-UHFFFAOYSA-N 1 0 286.419 3.256 50 0 CGAARO CCc1nccn1CCC[NH2+]CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000952861004 800684895 /nfs/dbraw/zinc/68/48/95/800684895.db2.gz WHINLCXHCDJPHM-HOTGVXAUSA-N 1 0 287.451 3.418 50 0 CGAARO c1c[nH]c(CNC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000952960192 800688292 /nfs/dbraw/zinc/68/82/92/800688292.db2.gz ICIMHHVRPHMZQG-KRWDZBQOSA-N 1 0 298.434 3.117 50 0 CGAARO C[NH+]1CCC(Nc2ccc(Nc3ccccc3)nc2)CC1 ZINC000032533100 927575288 /nfs/dbraw/zinc/57/52/88/927575288.db2.gz UXUSCICVYFFGJB-UHFFFAOYSA-N 1 0 282.391 3.331 50 0 CGAARO CC(C)[N@H+](C)C[C@H](C)N(C)Cc1cccc2cnccc21 ZINC001506400637 937989702 /nfs/dbraw/zinc/98/97/02/937989702.db2.gz GHVMLHXEGLTLBA-HNNXBMFYSA-N 1 0 285.435 3.395 50 0 CGAARO CCCC[C@@H]1C=CC[N@@H+]1Cc1ccc(OC)c(O)c1 ZINC001506416303 937989911 /nfs/dbraw/zinc/98/99/11/937989911.db2.gz VSHGDHWSNKKQCI-CQSZACIVSA-N 1 0 261.365 3.331 50 0 CGAARO CC[C@@H](Nc1nc(N(C)C)[nH+]c(C)c1C)c1ccncc1 ZINC001529174664 938071433 /nfs/dbraw/zinc/07/14/33/938071433.db2.gz WMSGYHPEEONNCF-CQSZACIVSA-N 1 0 285.395 3.118 50 0 CGAARO Cc1cnc(C[NH2+][C@H]2CCc3ccccc3C2)s1 ZINC000096478613 230380071 /nfs/dbraw/zinc/38/00/71/230380071.db2.gz YTANIJOVRGPWCR-AWEZNQCLSA-N 1 0 258.390 3.099 50 0 CGAARO COCC[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096492237 230382989 /nfs/dbraw/zinc/38/29/89/230382989.db2.gz FUXBILJIQAQPLB-CYBMUJFWSA-N 1 0 256.349 3.046 50 0 CGAARO C[NH+](C)CCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000000084056 230365696 /nfs/dbraw/zinc/36/56/96/230365696.db2.gz AKRXOIHOWVDUBX-UHFFFAOYSA-N 1 0 292.386 3.270 50 0 CGAARO COc1cccc2c1OC[C@@H](C[NH2+]C1CCCCC1)C2 ZINC000095505955 185000975 /nfs/dbraw/zinc/00/09/75/185000975.db2.gz TVQOOHKXTUNFKT-CYBMUJFWSA-N 1 0 275.392 3.169 50 0 CGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(Cl)cc1F ZINC000095513273 185001960 /nfs/dbraw/zinc/00/19/60/185001960.db2.gz WLSJNWDOPFVQDO-NSHDSACASA-N 1 0 299.777 3.085 50 0 CGAARO CC(C)(CO)C(C)(C)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000095966642 185045211 /nfs/dbraw/zinc/04/52/11/185045211.db2.gz BKXSNZXTJHNTGM-UHFFFAOYSA-N 1 0 288.391 3.228 50 0 CGAARO COc1ccc([C@@H](C)[NH2+][C@H](C)CSC)c(OC)c1 ZINC000095968193 185046842 /nfs/dbraw/zinc/04/68/42/185046842.db2.gz STDBGURJCRFXRA-GHMZBOCLSA-N 1 0 269.410 3.106 50 0 CGAARO C[NH2+]C[C@@H](OC(C)=O)c1cccc(OCc2ccccc2)c1 ZINC000012379839 344879231 /nfs/dbraw/zinc/87/92/31/344879231.db2.gz KAPRYKNXBYSJSL-GOSISDBHSA-N 1 0 299.370 3.089 50 0 CGAARO Cc1ccoc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740846 344898518 /nfs/dbraw/zinc/89/85/18/344898518.db2.gz JPZPSKLBYGVTFQ-INIZCTEOSA-N 1 0 298.386 3.155 50 0 CGAARO CC[NH+](CC)C[C@@H](C)C(=O)c1cn(C)c2ccccc12 ZINC000034454680 344939830 /nfs/dbraw/zinc/93/98/30/344939830.db2.gz HMNRSTZBMVZIBE-CYBMUJFWSA-N 1 0 272.392 3.339 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+](Cc3sc(C)nc3C)C2)[nH]n1 ZINC000084111295 232178420 /nfs/dbraw/zinc/17/84/20/232178420.db2.gz GSSWRQQTKZPAJJ-CYBMUJFWSA-N 1 0 290.436 3.171 50 0 CGAARO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000072288973 345408103 /nfs/dbraw/zinc/40/81/03/345408103.db2.gz SZAOQPUBCPPLQC-CYBMUJFWSA-N 1 0 295.814 3.336 50 0 CGAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1sc(C)nc1C ZINC000072298493 345408671 /nfs/dbraw/zinc/40/86/71/345408671.db2.gz FTKKRTSNJCNTIM-ZDUSSCGKSA-N 1 0 290.436 3.144 50 0 CGAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1sc(C)nc1C ZINC000072298492 345408701 /nfs/dbraw/zinc/40/87/01/345408701.db2.gz FTKKRTSNJCNTIM-CYBMUJFWSA-N 1 0 290.436 3.144 50 0 CGAARO CC(C)COC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000096026356 345901185 /nfs/dbraw/zinc/90/11/85/345901185.db2.gz GXAYAXUSRVLPOV-INIZCTEOSA-N 1 0 275.392 3.413 50 0 CGAARO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CCC(=O)c1ccccc1 ZINC000096026512 345901720 /nfs/dbraw/zinc/90/17/20/345901720.db2.gz ZKLHFLNDKHNOSE-BEFAXECRSA-N 1 0 297.398 3.313 50 0 CGAARO Brc1cccc(CC[NH+]2CCCC2)c1 ZINC000136136697 346089219 /nfs/dbraw/zinc/08/92/19/346089219.db2.gz HPWUBDIFJUPQKU-UHFFFAOYSA-N 1 0 254.171 3.087 50 0 CGAARO C[N@H+](CCCC(=O)Nc1ccccc1)C[C@H]1CCC=CO1 ZINC000252484552 346391563 /nfs/dbraw/zinc/39/15/63/346391563.db2.gz FZAAKOPGCDVOLP-MRXNPFEDSA-N 1 0 288.391 3.030 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1nc2ccccc2o1 ZINC000253369767 346394390 /nfs/dbraw/zinc/39/43/90/346394390.db2.gz HYJRENBHCKGJLF-RWMBFGLXSA-N 1 0 274.364 3.030 50 0 CGAARO C[C@@H]([NH2+]CCOc1ccccc1Cl)C1CCOCC1 ZINC000090772479 180037822 /nfs/dbraw/zinc/03/78/22/180037822.db2.gz SQYKIBBWISXGJN-GFCCVEGCSA-N 1 0 283.799 3.124 50 0 CGAARO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cccc(C(F)(F)F)c1 ZINC000148818177 187919073 /nfs/dbraw/zinc/91/90/73/187919073.db2.gz UEOKLOUPIQJDJY-LLVKDONJSA-N 1 0 297.324 3.332 50 0 CGAARO COC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000052210636 291025865 /nfs/dbraw/zinc/02/58/65/291025865.db2.gz BFDOHRPWDLQSBD-ZDUSSCGKSA-N 1 0 267.756 3.040 50 0 CGAARO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000129233044 138396101 /nfs/dbraw/zinc/39/61/01/138396101.db2.gz QPYMUIAPVQLITJ-LBPRGKRZSA-N 1 0 277.799 3.357 50 0 CGAARO C[C@@H](CCSc1ccccc1)[N@H+](C)Cc1cnccn1 ZINC000178307726 189105477 /nfs/dbraw/zinc/10/54/77/189105477.db2.gz XYMLGTRYESRJBI-AWEZNQCLSA-N 1 0 287.432 3.479 50 0 CGAARO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCn1ccnc1 ZINC000182784378 189334571 /nfs/dbraw/zinc/33/45/71/189334571.db2.gz JEQRKGAZQHWRDD-RDJZCZTQSA-N 1 0 269.392 3.151 50 0 CGAARO Cc1cccc(NC2CC[NH+]([C@H](C)c3cnccn3)CC2)c1 ZINC000184665586 189391860 /nfs/dbraw/zinc/39/18/60/189391860.db2.gz FXEFIYOMPPAYKV-OAHLLOKOSA-N 1 0 296.418 3.423 50 0 CGAARO CCc1nc2ccccc2c(NC(=O)C[NH+](CC)CC)c1C ZINC000000104412 368290534 /nfs/dbraw/zinc/29/05/34/368290534.db2.gz LMWABAOFFZJVLU-UHFFFAOYSA-N 1 0 299.418 3.386 50 0 CGAARO CCOC(=O)c1c(C)[nH+]c(C)cc1Nc1ccccc1N ZINC000000243014 368323063 /nfs/dbraw/zinc/32/30/63/368323063.db2.gz VWXGPJLIJVFVGY-UHFFFAOYSA-N 1 0 285.347 3.201 50 0 CGAARO CC[NH+](CC)CC(=O)c1c(C)[nH]c2cc(C)ccc21 ZINC000000117509 368295284 /nfs/dbraw/zinc/29/52/84/368295284.db2.gz PFPMDOPKQHBZBI-UHFFFAOYSA-N 1 0 258.365 3.309 50 0 CGAARO c1[nH]c2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000000181950 368310700 /nfs/dbraw/zinc/31/07/00/368310700.db2.gz FTZCCQIQPZISNY-UHFFFAOYSA-N 1 0 280.327 3.186 50 0 CGAARO Cc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1C ZINC000000254712 368325122 /nfs/dbraw/zinc/32/51/22/368325122.db2.gz RYLUNBKDAOJEKC-UHFFFAOYSA-N 1 0 260.381 3.118 50 0 CGAARO CC1=C[C@H](C)C2(COC(c3ccc[n+](C)c3)OC2)[C@H](C)C1 ZINC000000273320 368330781 /nfs/dbraw/zinc/33/07/81/368330781.db2.gz YLPVKFCCZWGVGJ-WPAPPDIDSA-N 1 0 288.411 3.165 50 0 CGAARO C[NH+](C)C/C=C/C(O)(c1ccccc1)c1ccccc1 ZINC000000309651 368338063 /nfs/dbraw/zinc/33/80/63/368338063.db2.gz NIUAGZPKSVQRLN-NTEUORMPSA-N 1 0 267.372 3.040 50 0 CGAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000000316995 368340810 /nfs/dbraw/zinc/34/08/10/368340810.db2.gz LUXAZHNJKKBWFF-WBVHZDCISA-N 1 0 286.419 3.023 50 0 CGAARO C[NH2+]C[C@@H](C)COc1ccccc1OCc1ccccc1 ZINC000000347610 368345480 /nfs/dbraw/zinc/34/54/80/368345480.db2.gz WQKOOYPFENCASL-OAHLLOKOSA-N 1 0 285.387 3.500 50 0 CGAARO Clc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000000355489 368347257 /nfs/dbraw/zinc/34/72/57/368347257.db2.gz NMDUSBFKXIOHJS-UHFFFAOYSA-N 1 0 275.735 3.359 50 0 CGAARO Fc1cccc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000757207 368393918 /nfs/dbraw/zinc/39/39/18/368393918.db2.gz RMVUHAQSGZUEFY-UHFFFAOYSA-N 1 0 294.389 3.415 50 0 CGAARO C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000001178822 368405249 /nfs/dbraw/zinc/40/52/49/368405249.db2.gz NFELZTYMRABDFX-UHFFFAOYSA-N 1 0 268.360 3.147 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000002734477 368474097 /nfs/dbraw/zinc/47/40/97/368474097.db2.gz YOKWTXMBGXEVRX-IYBDPMFKSA-N 1 0 287.451 3.024 50 0 CGAARO Fc1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000002513130 368458530 /nfs/dbraw/zinc/45/85/30/368458530.db2.gz RPDCIEKHZNXRPG-UHFFFAOYSA-N 1 0 255.336 3.495 50 0 CGAARO O[C@@H](C[NH2+]C1CCCCCCC1)COc1ccccc1 ZINC000003324026 368501857 /nfs/dbraw/zinc/50/18/57/368501857.db2.gz WBQUGKKOCFQMJT-INIZCTEOSA-N 1 0 277.408 3.129 50 0 CGAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C)cc1OC ZINC000002825103 368479531 /nfs/dbraw/zinc/47/95/31/368479531.db2.gz NBUUBKJCYDCELR-CYBMUJFWSA-N 1 0 251.370 3.161 50 0 CGAARO C[C@H]1CCC[N@H+](CCCOc2ccccc2F)C1 ZINC000002823083 368480094 /nfs/dbraw/zinc/48/00/94/368480094.db2.gz DSJJIGQIXGIFED-ZDUSSCGKSA-N 1 0 251.345 3.327 50 0 CGAARO COc1cccc(OCCCC[NH2+]C2CCCC2)c1 ZINC000002839446 368481114 /nfs/dbraw/zinc/48/11/14/368481114.db2.gz HNSCGVUKCXHVFD-UHFFFAOYSA-N 1 0 263.381 3.386 50 0 CGAARO CCCC[NH2+]CCOCCOc1cccc(Cl)c1 ZINC000002981021 368487046 /nfs/dbraw/zinc/48/70/46/368487046.db2.gz GTEFYJUXVUUVDN-UHFFFAOYSA-N 1 0 271.788 3.125 50 0 CGAARO CC[C@@H](C)c1ccccc1OCCC[NH2+]CCOC ZINC000003003862 368488109 /nfs/dbraw/zinc/48/81/09/368488109.db2.gz CYEFFYGSNYFECE-CQSZACIVSA-N 1 0 265.397 3.205 50 0 CGAARO Cc1noc(/C=C/c2ccccc2OCC[NH+]2CCCC2)n1 ZINC000004015238 368527602 /nfs/dbraw/zinc/52/76/02/368527602.db2.gz ZSVGIENXOPWQQX-CMDGGOBGSA-N 1 0 299.374 3.023 50 0 CGAARO Cc1ccc([C@@]2(CC[NH3+])CCO[C@@H](C(C)C)C2)cc1 ZINC000004043695 368528499 /nfs/dbraw/zinc/52/84/99/368528499.db2.gz HPVXHZLIZADOQV-SJORKVTESA-N 1 0 261.409 3.417 50 0 biogenic CGAARO CC(C)[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000003442689 368506808 /nfs/dbraw/zinc/50/68/08/368506808.db2.gz WDACHGPBRUWADE-UHFFFAOYSA-N 1 0 268.360 3.290 50 0 CGAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCCC[NH2+]1 ZINC000003632769 368516514 /nfs/dbraw/zinc/51/65/14/368516514.db2.gz BPUCFKSONPJZJK-SFHVURJKSA-N 1 0 281.399 3.455 50 0 CGAARO CCOCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000004245206 368538606 /nfs/dbraw/zinc/53/86/06/368538606.db2.gz YCLFMLZCRNBUQY-QGZVFWFLSA-N 1 0 270.376 3.187 50 0 CGAARO COc1ccccc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000005393973 368563049 /nfs/dbraw/zinc/56/30/49/368563049.db2.gz KSLAKFCJGYODCV-MRXNPFEDSA-N 1 0 286.419 3.174 50 0 CGAARO Cc1ccccc1C(=O)O[C@H](C)C[NH+]1CCCCC1 ZINC000004552906 368550962 /nfs/dbraw/zinc/55/09/62/368550962.db2.gz YQJJKSJSNOGUJF-CQSZACIVSA-N 1 0 261.365 3.026 50 0 CGAARO CCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000012035586 368602544 /nfs/dbraw/zinc/60/25/44/368602544.db2.gz VWTHJIVEELCZNU-MRXNPFEDSA-N 1 0 292.398 3.097 50 0 CGAARO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[NH2+]1 ZINC000012481482 368614990 /nfs/dbraw/zinc/61/49/90/368614990.db2.gz IABICIBDDWBMFQ-LLVKDONJSA-N 1 0 273.163 3.074 50 0 CGAARO Cc1ccc(COC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000016577779 368714668 /nfs/dbraw/zinc/71/46/68/368714668.db2.gz PAWQSMOBOGCYPF-JFIYKMOQSA-N 1 0 291.435 3.135 50 0 CGAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000014631203 368682616 /nfs/dbraw/zinc/68/26/16/368682616.db2.gz PROCWWGLYCWNJS-VIFPVBQESA-N 1 0 260.164 3.372 50 0 CGAARO c1ccc(COc2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC000014631927 368683761 /nfs/dbraw/zinc/68/37/61/368683761.db2.gz LGJKIUYYMKCSCA-UHFFFAOYSA-N 1 0 283.371 3.396 50 0 CGAARO Brc1c(O[C@H]2CC[NH2+]C2)ccc2ccccc21 ZINC000014632260 368684408 /nfs/dbraw/zinc/68/44/08/368684408.db2.gz BRAMEEWPRNLUAX-NSHDSACASA-N 1 0 292.176 3.343 50 0 CGAARO C[C@@H]1C[N@@H+](CCCSc2ccccc2)C[C@H](C)O1 ZINC000017241967 368729490 /nfs/dbraw/zinc/72/94/90/368729490.db2.gz OPPRKVAYVFXZIZ-OKILXGFUSA-N 1 0 265.422 3.278 50 0 CGAARO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc2ccccc2c1 ZINC000017314948 368730782 /nfs/dbraw/zinc/73/07/82/368730782.db2.gz WWUIUKZPLXTKOW-ZDUSSCGKSA-N 1 0 265.360 3.424 50 0 CGAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019637308 368760225 /nfs/dbraw/zinc/76/02/25/368760225.db2.gz NSCVTMGYYPFBSJ-SJLPKXTDSA-N 1 0 272.436 3.383 50 0 CGAARO CCOc1ccccc1OCc1cc(C[NH3+])ccc1F ZINC000019274329 368746399 /nfs/dbraw/zinc/74/63/99/368746399.db2.gz YUPGFUHQIWZCOC-UHFFFAOYSA-N 1 0 275.323 3.262 50 0 CGAARO CCN(CC)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000019260247 368746716 /nfs/dbraw/zinc/74/67/16/368746716.db2.gz RDIPAVQWDCEASO-GFCCVEGCSA-N 1 0 260.303 3.047 50 0 CGAARO Cc1cnc(NC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)s1 ZINC000023231464 368818201 /nfs/dbraw/zinc/81/82/01/368818201.db2.gz XKFLBUJYAAEKHS-SECBINFHSA-N 1 0 293.417 3.190 50 0 CGAARO Clc1ccc(C[NH2+][C@H]2CN3CCC2CC3)c(Cl)c1 ZINC000019946300 368788098 /nfs/dbraw/zinc/78/80/98/368788098.db2.gz WUCXPKJDXTYMPE-AWEZNQCLSA-N 1 0 285.218 3.177 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1OC ZINC000019944894 368788159 /nfs/dbraw/zinc/78/81/59/368788159.db2.gz HKYFXKXOMGYHRZ-JSGCOSHPSA-N 1 0 263.381 3.372 50 0 CGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC000027333942 368869998 /nfs/dbraw/zinc/86/99/98/368869998.db2.gz XSFICGPMDRZQHB-HNNXBMFYSA-N 1 0 290.407 3.113 50 0 CGAARO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000027369183 368871766 /nfs/dbraw/zinc/87/17/66/368871766.db2.gz HBFFHBFIRJJSSM-QGZVFWFLSA-N 1 0 282.387 3.272 50 0 CGAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Cl)s1 ZINC000030908536 368908993 /nfs/dbraw/zinc/90/89/93/368908993.db2.gz FPEOLOKJTQLCHX-NSHDSACASA-N 1 0 281.812 3.302 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000035012656 368989487 /nfs/dbraw/zinc/98/94/87/368989487.db2.gz HUPLASFKOGRFPO-CYBMUJFWSA-N 1 0 267.332 3.316 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)c1ccccc1 ZINC000037934911 369126119 /nfs/dbraw/zinc/12/61/19/369126119.db2.gz NURZJVNUNCZSRY-UHFFFAOYSA-N 1 0 257.381 3.094 50 0 CGAARO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1cccc(O)c1 ZINC000037775876 369109005 /nfs/dbraw/zinc/10/90/05/369109005.db2.gz BQYDUFMUVOAKRE-LLVKDONJSA-N 1 0 277.314 3.391 50 0 CGAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000042465291 369222253 /nfs/dbraw/zinc/22/22/53/369222253.db2.gz RQZYSOXLIQYOMC-RISCZKNCSA-N 1 0 287.325 3.093 50 0 CGAARO c1ccc([C@H]2CCN(CC[NH2+]C3CCCC3)C2)cc1 ZINC000050600904 369441801 /nfs/dbraw/zinc/44/18/01/369441801.db2.gz NVNMABOONBOTMC-INIZCTEOSA-N 1 0 258.409 3.008 50 0 CGAARO [NH2+]=C(NCCc1ccc(F)cc1)Nc1ccccc1 ZINC000052046744 369463280 /nfs/dbraw/zinc/46/32/80/369463280.db2.gz PSUWUUCJXHZNNH-UHFFFAOYSA-N 1 0 257.312 3.005 50 0 CGAARO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000052176314 369465959 /nfs/dbraw/zinc/46/59/59/369465959.db2.gz FBYSFRQJIFJGJS-SNVBAGLBSA-N 1 0 255.308 3.042 50 0 CGAARO CCCOc1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000057353358 369535880 /nfs/dbraw/zinc/53/58/80/369535880.db2.gz HJIOQQZIAWWDPZ-UHFFFAOYSA-N 1 0 286.375 3.039 50 0 CGAARO CCc1ccc(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)nc1 ZINC000055327879 369515336 /nfs/dbraw/zinc/51/53/36/369515336.db2.gz MYJKQWDNGHPNFJ-OAHLLOKOSA-N 1 0 283.419 3.410 50 0 CGAARO CCCc1cn(C2CC[NH+](C[C@H](C)CCC)CC2)nn1 ZINC000055392865 369516533 /nfs/dbraw/zinc/51/65/33/369516533.db2.gz MYJPIJWUVRCRRM-CQSZACIVSA-N 1 0 278.444 3.304 50 0 CGAARO Cc1ccsc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055543640 369520786 /nfs/dbraw/zinc/52/07/86/369520786.db2.gz BDCMGQHOYWJYJL-UHFFFAOYSA-N 1 0 272.417 3.379 50 0 CGAARO COC(=O)CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000058160970 369555381 /nfs/dbraw/zinc/55/53/81/369555381.db2.gz SOLGBGUQXDFCAP-UHFFFAOYSA-N 1 0 263.381 3.016 50 0 CGAARO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000065287944 369668235 /nfs/dbraw/zinc/66/82/35/369668235.db2.gz IRHCYPNFTORGNK-CQSZACIVSA-N 1 0 290.436 3.300 50 0 CGAARO CCCOc1c(C[NH2+][C@@H]2CCSC2)cccc1OC ZINC000065372940 369668984 /nfs/dbraw/zinc/66/89/84/369668984.db2.gz WJRGVVAUJPATRK-CYBMUJFWSA-N 1 0 281.421 3.079 50 0 CGAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1cn(C)c2ccccc12 ZINC000065433056 369675066 /nfs/dbraw/zinc/67/50/66/369675066.db2.gz VAGNTKFVAPUSND-UHFFFAOYSA-N 1 0 296.418 3.322 50 0 CGAARO [NH3+]C1(c2cn(-c3cccc(Cl)c3)nn2)CCCCC1 ZINC000066091317 369688723 /nfs/dbraw/zinc/68/87/23/369688723.db2.gz BKYCEFRMWVVZEI-UHFFFAOYSA-N 1 0 276.771 3.039 50 0 CGAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069538015 369762990 /nfs/dbraw/zinc/76/29/90/369762990.db2.gz HHRJNJHCVMAYGK-QWHCGFSZSA-N 1 0 284.363 3.072 50 0 CGAARO CSCc1ccc(C[NH2+][C@H](C)[C@H](C)n2cc(C)cn2)o1 ZINC000069538508 369763650 /nfs/dbraw/zinc/76/36/50/369763650.db2.gz PPQJFDAZMCWTDH-OLZOCXBDSA-N 1 0 293.436 3.387 50 0 CGAARO CSCc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000069521568 369763767 /nfs/dbraw/zinc/76/37/67/369763767.db2.gz GEZVVEXILAHPCS-NWDGAFQWSA-N 1 0 279.409 3.078 50 0 CGAARO c1ccc(CN2CC[C@@H]([NH2+]CC3=CCCCC3)C2)cc1 ZINC000067688546 369723597 /nfs/dbraw/zinc/72/35/97/369723597.db2.gz CTXBDTBRQWJTAC-GOSISDBHSA-N 1 0 270.420 3.351 50 0 CGAARO CCCc1cc(CN(C)C2CC(C)(C)[NH2+]C(C)(C)C2)[nH]n1 ZINC000067871516 369733213 /nfs/dbraw/zinc/73/32/13/369733213.db2.gz XRROHKFJMYXHNB-UHFFFAOYSA-N 1 0 292.471 3.103 50 0 CGAARO Cc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc(C)c1O ZINC000067871683 369733804 /nfs/dbraw/zinc/73/38/04/369733804.db2.gz SCJVGSXGJNNLPN-HNNXBMFYSA-N 1 0 285.391 3.112 50 0 CGAARO C[C@](O)(c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071772221 369810826 /nfs/dbraw/zinc/81/08/26/369810826.db2.gz AXIYGCZBYDVXRT-OALUTQOASA-N 1 0 281.399 3.416 50 0 CGAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000083704314 370009761 /nfs/dbraw/zinc/00/97/61/370009761.db2.gz ZHRJSLVJPPCYLS-CZUORRHYSA-N 1 0 278.827 3.399 50 0 CGAARO CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]2CCCO)n1 ZINC000089725241 370046212 /nfs/dbraw/zinc/04/62/12/370046212.db2.gz CWCLKTOGQBWAFE-LBPRGKRZSA-N 1 0 282.453 3.178 50 0 CGAARO CC[C@@H](C[NH2+]Cc1cscn1)Oc1cccc(F)c1 ZINC000084674768 370015009 /nfs/dbraw/zinc/01/50/09/370015009.db2.gz FAPWANHAJAXOSI-ZDUSSCGKSA-N 1 0 280.368 3.229 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000089544550 370041630 /nfs/dbraw/zinc/04/16/30/370041630.db2.gz IKWXTFYNJNJSOM-MRXNPFEDSA-N 1 0 273.355 3.067 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000089470015 370042286 /nfs/dbraw/zinc/04/22/86/370042286.db2.gz CMFKLMWYKNOEAX-MRXNPFEDSA-N 1 0 256.349 3.360 50 0 CGAARO C[C@@H]1C[C@H]([NH2+]Cc2cccn2C)CCN1Cc1ccccc1 ZINC000080339212 369987077 /nfs/dbraw/zinc/98/70/77/369987077.db2.gz FVYCCYLPBRUZCN-SJLPKXTDSA-N 1 0 297.446 3.168 50 0 CGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000095415174 370185667 /nfs/dbraw/zinc/18/56/67/370185667.db2.gz AVJKNJJJRSHBHX-AWEZNQCLSA-N 1 0 288.416 3.068 50 0 CGAARO C[N@@H+]1CCCCC[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000095355750 370178067 /nfs/dbraw/zinc/17/80/67/370178067.db2.gz OIFZBMNTKDHTBN-CQSZACIVSA-N 1 0 297.362 3.160 50 0 CGAARO Cc1cnc(C[N@@H+]2CCC[C@H]2CN2CCc3ccccc32)o1 ZINC000095404843 370183626 /nfs/dbraw/zinc/18/36/26/370183626.db2.gz QFOXSVWBWVJZJK-INIZCTEOSA-N 1 0 297.402 3.010 50 0 CGAARO COc1ccccc1[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000093593823 370144783 /nfs/dbraw/zinc/14/47/83/370144783.db2.gz JSCQLEBIDRGJDM-CQSZACIVSA-N 1 0 270.376 3.023 50 0 CGAARO CC[N@H+](Cc1cc2c(cc1Cl)OCO2)C1CCOCC1 ZINC000097797261 370253881 /nfs/dbraw/zinc/25/38/81/370253881.db2.gz JCPSUHFNFGMHQU-UHFFFAOYSA-N 1 0 297.782 3.070 50 0 CGAARO Cc1c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)cnn1C ZINC000097527995 370245656 /nfs/dbraw/zinc/24/56/56/370245656.db2.gz KYHJJVQQSGHLNJ-OAHLLOKOSA-N 1 0 261.413 3.131 50 0 CGAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000097636465 370249801 /nfs/dbraw/zinc/24/98/01/370249801.db2.gz GQTNZFQKLGKPSA-AUNFYEFLSA-N 1 0 279.387 3.369 50 0 CGAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000095419710 370186463 /nfs/dbraw/zinc/18/64/63/370186463.db2.gz VBBQIFXIZLIJPJ-NSHDSACASA-N 1 0 283.485 3.089 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]CCCCn2ccccc2=O)cc1 ZINC000095421252 370188735 /nfs/dbraw/zinc/18/87/35/370188735.db2.gz NPDVSGXWHHBHIC-MRXNPFEDSA-N 1 0 284.403 3.288 50 0 CGAARO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccsc1 ZINC000095448810 370195671 /nfs/dbraw/zinc/19/56/71/370195671.db2.gz RJDXASNDAZAPBJ-DOMZBBRYSA-N 1 0 261.390 3.350 50 0 CGAARO Nc1[nH+]c2ccccc2n1CCCc1ccccc1 ZINC000100619431 370280686 /nfs/dbraw/zinc/28/06/86/370280686.db2.gz DLDXZUAAPRACGH-UHFFFAOYSA-N 1 0 251.333 3.251 50 0 CGAARO COC1([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)CCCC1 ZINC000421829383 371653276 /nfs/dbraw/zinc/65/32/76/371653276.db2.gz HSCIZTNQKBXRGL-WBVHZDCISA-N 1 0 291.435 3.090 50 0 CGAARO CCCn1nccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000426518893 372161260 /nfs/dbraw/zinc/16/12/60/372161260.db2.gz BQGYABMIFXECBC-UHFFFAOYSA-N 1 0 284.407 3.341 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c2ccccc12 ZINC000170074674 372634356 /nfs/dbraw/zinc/63/43/56/372634356.db2.gz IJQUOXCPMARBHK-SOUVJXGZSA-N 1 0 297.398 3.436 50 0 CGAARO CC[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)cc1 ZINC000170612253 372642949 /nfs/dbraw/zinc/64/29/49/372642949.db2.gz ZOLBTQGNAPSXBI-CQSZACIVSA-N 1 0 267.344 3.020 50 0 CGAARO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)[C@@]1(C)CCCO1 ZINC000239762109 189902751 /nfs/dbraw/zinc/90/27/51/189902751.db2.gz CKVPOQIRZSLGGB-CXAGYDPISA-N 1 0 272.392 3.258 50 0 CGAARO C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)CO ZINC000449422369 373694579 /nfs/dbraw/zinc/69/45/79/373694579.db2.gz MRAATOBWCWODFI-UHFFFAOYSA-N 1 0 293.304 3.295 50 0 CGAARO Cc1ccc(Br)cc1C[NH+]1CCCC1 ZINC000306388670 374132276 /nfs/dbraw/zinc/13/22/76/374132276.db2.gz VCHPEALRCKKIIX-UHFFFAOYSA-N 1 0 254.171 3.353 50 0 CGAARO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000077453860 541912142 /nfs/dbraw/zinc/91/21/42/541912142.db2.gz YMIRHQISEPXSAM-GOEBONIOSA-N 1 0 284.407 3.326 50 0 CGAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000085334394 541936157 /nfs/dbraw/zinc/93/61/57/541936157.db2.gz HOYWQDUDOWLMHA-WMZOPIPTSA-N 1 0 297.329 3.320 50 0 CGAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC1=CCOCC1 ZINC000090808076 541963660 /nfs/dbraw/zinc/96/36/60/541963660.db2.gz VMFVVMPRRFOYDQ-ZDUSSCGKSA-N 1 0 263.356 3.083 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)c2cccc(Cl)c2)C1 ZINC000188113186 375160139 /nfs/dbraw/zinc/16/01/39/375160139.db2.gz CASNSBZZAYVVOM-SWLSCSKDSA-N 1 0 294.826 3.044 50 0 CGAARO c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)cc2c1COC2 ZINC000253397450 189988479 /nfs/dbraw/zinc/98/84/79/189988479.db2.gz VPWIHOAPOSKHMB-QGZVFWFLSA-N 1 0 287.403 3.156 50 0 CGAARO C[C@H]1C[C@@H]([NH2+]C2CCSCC2)CN1c1ccccc1 ZINC000095968693 541992503 /nfs/dbraw/zinc/99/25/03/541992503.db2.gz QYIPXHMTBJQKJC-DZGCQCFKSA-N 1 0 276.449 3.139 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191887662 375673099 /nfs/dbraw/zinc/67/30/99/375673099.db2.gz VGXFFTOLRVAGJN-DLBZAZTESA-N 1 0 298.434 3.107 50 0 CGAARO Cc1c[nH+]ccc1N1CCC(OC2CCCC2)CC1 ZINC000192549805 375763858 /nfs/dbraw/zinc/76/38/58/375763858.db2.gz IHIVYPIQCTULTP-UHFFFAOYSA-N 1 0 260.381 3.318 50 0 CGAARO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C1CCOCC1 ZINC000192696292 375779240 /nfs/dbraw/zinc/77/92/40/375779240.db2.gz ORNKNFKGGWUOKE-ZQHYZAEZSA-N 1 0 259.393 3.495 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000194081851 375958314 /nfs/dbraw/zinc/95/83/14/375958314.db2.gz IRENMMIJAAYITB-UHFFFAOYSA-N 1 0 285.391 3.004 50 0 CGAARO Cc1ccc(CC[NH2+]C[C@H](C)c2ccccc2)cn1 ZINC000194449352 376004667 /nfs/dbraw/zinc/00/46/67/376004667.db2.gz YELMBBMLJYGDSN-AWEZNQCLSA-N 1 0 254.377 3.326 50 0 CGAARO Cc1nccn1CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000195546992 376111805 /nfs/dbraw/zinc/11/18/05/376111805.db2.gz JKGYDMBQKWPCFG-MRXNPFEDSA-N 1 0 287.382 3.210 50 0 CGAARO Cc1cccc(CN2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000215272412 376146092 /nfs/dbraw/zinc/14/60/92/376146092.db2.gz WEMJIDIFCNCTKW-UHFFFAOYSA-N 1 0 287.451 3.230 50 0 CGAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc(F)c(F)c1F ZINC000215374627 376146110 /nfs/dbraw/zinc/14/61/10/376146110.db2.gz BFBBQGXOIDVJBH-UHFFFAOYSA-N 1 0 297.324 3.118 50 0 CGAARO CC(C)c1nc(CN(C)Cc2ccsc2)co1 ZINC000216146265 376158206 /nfs/dbraw/zinc/15/82/06/376158206.db2.gz GHDYBDAKDLFMJF-UHFFFAOYSA-N 1 0 250.367 3.492 50 0 CGAARO Cc1cc(C)n([C@@H]2CCN(Cc3coc(C(C)C)n3)C2)n1 ZINC000216371433 376164219 /nfs/dbraw/zinc/16/42/19/376164219.db2.gz UNQQJYBZULBSAH-OAHLLOKOSA-N 1 0 288.395 3.058 50 0 CGAARO C[C@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000222126431 376229860 /nfs/dbraw/zinc/22/98/60/376229860.db2.gz CADOTINMNIQEPF-CRAIPNDOSA-N 1 0 282.387 3.338 50 0 CGAARO CCC[C@H]1CN(Cc2ccc(F)cc2)[C@@H](C(C)C)C[NH2+]1 ZINC000223762316 376262762 /nfs/dbraw/zinc/26/27/62/376262762.db2.gz KXCTZCCROVMVMI-DLBZAZTESA-N 1 0 278.415 3.424 50 0 CGAARO Cc1ccc2cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc2n1 ZINC000225477494 376312535 /nfs/dbraw/zinc/31/25/35/376312535.db2.gz XPRCNPJAACMRGN-AWEZNQCLSA-N 1 0 272.392 3.134 50 0 CGAARO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000229884633 376476718 /nfs/dbraw/zinc/47/67/18/376476718.db2.gz KWGGNBRHXYXOSS-HZPDHXFCSA-N 1 0 299.418 3.027 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000229315906 376462203 /nfs/dbraw/zinc/46/22/03/376462203.db2.gz CYMFWTIYFNNGRB-MAUKXSAKSA-N 1 0 281.403 3.007 50 0 CGAARO Cc1nccc(N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000239352328 376774693 /nfs/dbraw/zinc/77/46/93/376774693.db2.gz ABSRFNCGKAPFBO-HOTGVXAUSA-N 1 0 297.402 3.467 50 0 CGAARO CCn1cc(C[N@H+](CC)Cc2ccc3[nH]ccc3c2)cn1 ZINC000240333252 376775036 /nfs/dbraw/zinc/77/50/36/376775036.db2.gz FCLMRCUGZGFXHR-UHFFFAOYSA-N 1 0 282.391 3.406 50 0 CGAARO CCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000241776878 376779139 /nfs/dbraw/zinc/77/91/39/376779139.db2.gz RTGXLNOPCGDEMK-HIFRSBDPSA-N 1 0 295.496 3.394 50 0 CGAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2CCc2cn[nH]c2)c1 ZINC000244716123 376795841 /nfs/dbraw/zinc/79/58/41/376795841.db2.gz 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c1csc(CC[C@@H]2CCCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000077459909 177270845 /nfs/dbraw/zinc/27/08/45/177270845.db2.gz HJBJCFGQDRVLDB-ZDUSSCGKSA-N 1 0 275.421 3.459 50 0 CGAARO C[C@H](C(N)=O)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000049442833 416471880 /nfs/dbraw/zinc/47/18/80/416471880.db2.gz RZSPOIRHGIJYSN-LLVKDONJSA-N 1 0 271.364 3.271 50 0 CGAARO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(F)c2)cn1 ZINC000048782293 416459535 /nfs/dbraw/zinc/45/95/35/416459535.db2.gz FLYQNUKKYIHNDU-UHFFFAOYSA-N 1 0 296.349 3.005 50 0 CGAARO Cc1ccc(O)c(C[NH2+]C[C@@H](Nc2ccccc2)C(C)C)n1 ZINC000118449157 416498638 /nfs/dbraw/zinc/49/86/38/416498638.db2.gz GKUJUJRGHBKVQJ-MRXNPFEDSA-N 1 0 299.418 3.322 50 0 CGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000685939695 544110295 /nfs/dbraw/zinc/11/02/95/544110295.db2.gz XSLQAIBXVGYWQJ-BPUTZDHNSA-N 1 0 287.403 3.184 50 0 CGAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000685939662 544110363 /nfs/dbraw/zinc/11/03/63/544110363.db2.gz BASBTHJSDCVHTO-GDLCADMTSA-N 1 0 281.396 3.113 50 0 CGAARO O[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657373801 419263574 /nfs/dbraw/zinc/26/35/74/419263574.db2.gz CERDTKQDCQFLGQ-TZMCWYRMSA-N 1 0 293.382 3.008 50 0 CGAARO CO[C@H](C[NH2+][C@@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315984 419756956 /nfs/dbraw/zinc/75/69/56/419756956.db2.gz ONGPJCZSGROHHD-BLLLJJGKSA-N 1 0 263.381 3.248 50 0 CGAARO Cc1[nH]c2c(cccc2C)c1[C@@H](O)C[NH+]1CCCCC1 ZINC000021793181 260122454 /nfs/dbraw/zinc/12/24/54/260122454.db2.gz USTFQNKVUUTSFX-HNNXBMFYSA-N 1 0 272.392 3.304 50 0 CGAARO CCC[N@@H+](Cc1cc(OC)ccc1OC)CC1CC1 ZINC000023281581 266023033 /nfs/dbraw/zinc/02/30/33/266023033.db2.gz BYWHNAFXFMNIHW-UHFFFAOYSA-N 1 0 263.381 3.326 50 0 CGAARO CCc1cc(Br)cc2c1O[C@]1(C=C2)CC[NH2+]C1 ZINC000036141875 273767679 /nfs/dbraw/zinc/76/76/79/273767679.db2.gz QUYCEFCDOYPXPB-CQSZACIVSA-N 1 0 294.192 3.149 50 0 CGAARO Cc1ccc(C(C)C)c(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000003247095 274737800 /nfs/dbraw/zinc/73/78/00/274737800.db2.gz QXYCURWZPCDTDY-OAHLLOKOSA-N 1 0 277.408 3.266 50 0 CGAARO c1cc2c(ccnc2-c2cccc3c2CC[NH2+]C3)o1 ZINC000071762700 275064629 /nfs/dbraw/zinc/06/46/29/275064629.db2.gz OQVPXGXOYXCFBA-UHFFFAOYSA-N 1 0 250.301 3.141 50 0 CGAARO C1CCC(N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000019367047 275414661 /nfs/dbraw/zinc/41/46/61/275414661.db2.gz PMKYZLGUIDMJBM-UHFFFAOYSA-N 1 0 250.430 3.269 50 0 CGAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000005049855 275537154 /nfs/dbraw/zinc/53/71/54/275537154.db2.gz ZTNWSXRYBYWHTL-HNNXBMFYSA-N 1 0 291.435 3.210 50 0 CGAARO CCOC(=O)CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000003026225 276277775 /nfs/dbraw/zinc/27/77/75/276277775.db2.gz PIYTYRAEAHRFJS-UHFFFAOYSA-N 1 0 276.163 3.036 50 0 CGAARO C[NH2+]Cc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000067801440 277286670 /nfs/dbraw/zinc/28/66/70/277286670.db2.gz IYCAWEUONQFGKB-UHFFFAOYSA-N 1 0 257.177 3.444 50 0 CGAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)[NH2+]CC2 ZINC000019300577 277854824 /nfs/dbraw/zinc/85/48/24/277854824.db2.gz OSOHYOOOJHCIHK-QGZVFWFLSA-N 1 0 287.334 3.078 50 0 CGAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])c2ccccc21 ZINC000004240560 278393943 /nfs/dbraw/zinc/39/39/43/278393943.db2.gz ZSFIRJQRHJSLSZ-LBPRGKRZSA-N 1 0 262.353 3.222 50 0 CGAARO CC[C@H](O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000328588509 288100443 /nfs/dbraw/zinc/10/04/43/288100443.db2.gz RRNNAAWVNAXBGH-DOTOQJQBSA-N 1 0 288.366 3.013 50 0 CGAARO CC[NH+](CC)CCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033410672 279096763 /nfs/dbraw/zinc/09/67/63/279096763.db2.gz DZUVXGMOIFZLAQ-FLIBITNWSA-N 1 0 294.826 3.201 50 0 CGAARO Cc1c2cc(C)ccc2oc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000067842113 280262661 /nfs/dbraw/zinc/26/26/61/280262661.db2.gz AZZFSQPTFOTLMF-OAHLLOKOSA-N 1 0 267.332 3.008 50 0 CGAARO C[NH+](C)CCCC1(O)c2ccccc2CCc2ccccc21 ZINC000000967456 289109734 /nfs/dbraw/zinc/10/97/34/289109734.db2.gz ONSQUXZPOPTSQF-UHFFFAOYSA-N 1 0 295.426 3.363 50 0 CGAARO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000299795756 293563280 /nfs/dbraw/zinc/56/32/80/293563280.db2.gz MIBXJRDPXAAJLW-CYBMUJFWSA-N 1 0 271.339 3.058 50 0 CGAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000169159013 321912152 /nfs/dbraw/zinc/91/21/52/321912152.db2.gz YKFPAHJGPZRWQF-BBRMVZONSA-N 1 0 253.345 3.341 50 0 CGAARO Cc1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000072439065 327110839 /nfs/dbraw/zinc/11/08/39/327110839.db2.gz UVYYAPGHMUSPJP-UHFFFAOYSA-N 1 0 282.387 3.433 50 0 CGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(F)cc(F)c1)C2 ZINC000095358739 327202489 /nfs/dbraw/zinc/20/24/89/327202489.db2.gz AUGSWYSLFMRLAW-SUMWQHHRSA-N 1 0 294.389 3.271 50 0 CGAARO CCc1nc([C@H](C)[NH2+][C@@H](COC)C(C)C)cs1 ZINC000162390118 329528627 /nfs/dbraw/zinc/52/86/27/329528627.db2.gz QUPONSAZZJIAOI-QWRGUYRKSA-N 1 0 256.415 3.027 50 0 CGAARO C[C@@H](O)[C@@H]1CC[N@H+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000195573450 336056782 /nfs/dbraw/zinc/05/67/82/336056782.db2.gz VYFBMCMTCUSDLM-YRGRVCCFSA-N 1 0 267.800 3.146 50 0 CGAARO CC(C)CC[NH2+]CCOc1ccccc1Br ZINC000049592597 519662868 /nfs/dbraw/zinc/66/28/68/519662868.db2.gz AANQSHUEBQWDDV-UHFFFAOYSA-N 1 0 286.213 3.464 50 0 CGAARO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](C[C@@H]4CCOC4)C3)nc2c1 ZINC000096490589 534508078 /nfs/dbraw/zinc/50/80/78/534508078.db2.gz GDFYCQMYZHBYKK-LSDHHAIUSA-N 1 0 299.418 3.087 50 0 CGAARO [NH3+]CCCCc1nnc(SCc2ccc(Cl)cc2)o1 ZINC000001872495 527176796 /nfs/dbraw/zinc/17/67/96/527176796.db2.gz MZDPZLCINXUOCB-UHFFFAOYSA-N 1 0 297.811 3.297 50 0 CGAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCCC1 ZINC000032869431 570410114 /nfs/dbraw/zinc/41/01/14/570410114.db2.gz DHPTZQHCACFHTR-UHFFFAOYSA-N 1 0 286.419 3.299 50 0 CGAARO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc1 ZINC000022587911 618241755 /nfs/dbraw/zinc/24/17/55/618241755.db2.gz RMIYJCRPEXMDGJ-YJBOKZPZSA-N 1 0 272.436 3.479 50 0 CGAARO Cc1cc(OCCOCC[NH+]2CCCC2)cc(C)c1Cl ZINC000002894450 618650936 /nfs/dbraw/zinc/65/09/36/618650936.db2.gz ZTQBPQMPSMZHQV-UHFFFAOYSA-N 1 0 297.826 3.448 50 0 CGAARO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000019742854 618970385 /nfs/dbraw/zinc/97/03/85/618970385.db2.gz FFIUTWVRDQDEDC-CVEARBPZSA-N 1 0 292.467 3.360 50 0 CGAARO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000019792546 618972539 /nfs/dbraw/zinc/97/25/39/618972539.db2.gz SSCYVKJWHZNIJD-OAHLLOKOSA-N 1 0 272.392 3.151 50 0 CGAARO Cc1ncsc1C[NH2+][C@@H](C)/C=C\c1ccccn1 ZINC000888098184 619260120 /nfs/dbraw/zinc/26/01/20/619260120.db2.gz CLZYTUVDQNIGJG-ZADCQDASSA-N 1 0 259.378 3.038 50 0 CGAARO C[C@H](C[C@@H](C)SC1CCCC1)[NH2+]Cc1cc[nH]n1 ZINC000888098673 619260490 /nfs/dbraw/zinc/26/04/90/619260490.db2.gz NSECJHFPKLXPHF-VXGBXAGGSA-N 1 0 267.442 3.342 50 0 CGAARO COc1ccccc1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000023282396 635782868 /nfs/dbraw/zinc/78/28/68/635782868.db2.gz LDMNJIAEGYBMMB-SFHVURJKSA-N 1 0 281.399 3.385 50 0 CGAARO COCC1(C[NH2+]Cc2ccc3c(ccn3C)c2)CCC1 ZINC000952982347 636776688 /nfs/dbraw/zinc/77/66/88/636776688.db2.gz XLHQCANYMROSQN-UHFFFAOYSA-N 1 0 272.392 3.085 50 0 CGAARO c1ccc(N2CC[C@@H]([N@@H+]3CCOc4ccccc4C3)C2)cc1 ZINC000952979974 636776807 /nfs/dbraw/zinc/77/68/07/636776807.db2.gz GSDUEXFNYXBLNQ-GOSISDBHSA-N 1 0 294.398 3.160 50 0 CGAARO COC(=O)c1ccc(N2Cc3ccccc3CC2=[NH2+])cc1 ZINC000000139603 640917903 /nfs/dbraw/zinc/91/79/03/640917903.db2.gz XEZTYFAZVBMLRG-UHFFFAOYSA-N 1 0 280.327 3.013 50 0 CGAARO C[C@]1(c2ccccc2)C[C@H](O)C[C@@H](c2ccccc2)[NH2+]1 ZINC000015769546 640986695 /nfs/dbraw/zinc/98/66/95/640986695.db2.gz UIYVXTMJZHAIIU-FGTMMUONSA-N 1 0 267.372 3.387 50 0 CGAARO O[C@@H](C[NH2+]CCc1ccccc1)c1ccccc1Cl ZINC000032122136 798848565 /nfs/dbraw/zinc/84/85/65/798848565.db2.gz RBBGZTYZSUBFHK-INIZCTEOSA-N 1 0 275.779 3.206 50 0 CGAARO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)o1 ZINC000585125909 799678017 /nfs/dbraw/zinc/67/80/17/799678017.db2.gz ILDVMSRYRUULKX-NWDGAFQWSA-N 1 0 298.814 3.268 50 0 CGAARO C(=C\c1ccccc1)\CN1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000588600127 799720376 /nfs/dbraw/zinc/72/03/76/799720376.db2.gz ZCIXWIJIZIGASS-WMHRWZGDSA-N 1 0 298.430 3.010 50 0 CGAARO CCC[C@@H]1C=CC[N@@H+]1Cc1cnn(-c2ccccc2OC)c1 ZINC000822804590 800463238 /nfs/dbraw/zinc/46/32/38/800463238.db2.gz GKBBLLCMQCIDGO-MRXNPFEDSA-N 1 0 297.402 3.421 50 0 CGAARO CCn1nc(C)c([C@@H](C)[NH2+]C2CSCCSC2)c1C ZINC000823593466 800467780 /nfs/dbraw/zinc/46/77/80/800467780.db2.gz WTTYHTBGOUKUHM-SNVBAGLBSA-N 1 0 299.509 3.019 50 0 CGAARO C[N@@H+](Cc1cnn(-c2ccccc2F)c1)CC1CCC1 ZINC000823716284 800469026 /nfs/dbraw/zinc/46/90/26/800469026.db2.gz VQSVCIHYPAADCH-UHFFFAOYSA-N 1 0 273.355 3.243 50 0 CGAARO Fc1ccccc1CCC[NH2+]C1CSCCSC1 ZINC000826626752 800476913 /nfs/dbraw/zinc/47/69/13/800476913.db2.gz WVMQDVRYFAMCMU-UHFFFAOYSA-N 1 0 285.453 3.197 50 0 CGAARO C[C@@H](c1cccc(-c2nccnc2C#N)c1)[NH+]1CCCC1 ZINC000032534879 927575310 /nfs/dbraw/zinc/57/53/10/927575310.db2.gz MHTACQMORSYPNG-ZDUSSCGKSA-N 1 0 278.359 3.172 50 0 CGAARO C1=C(CC[NH2+]C2CSCCSC2)CCCC1 ZINC001506417371 937989924 /nfs/dbraw/zinc/98/99/24/937989924.db2.gz HQYVSJXDOKVAIV-UHFFFAOYSA-N 1 0 257.468 3.315 50 0 CGAARO CCC[N@@H+](CCc1ccccc1)CC[C@@H]1CCOC1 ZINC001529113387 938070968 /nfs/dbraw/zinc/07/09/68/938070968.db2.gz XTUDSHFOFGRTRD-QGZVFWFLSA-N 1 0 261.409 3.368 50 0 CGAARO CCc1c(C)noc1NC(=O)CCC[NH+]1CCCCCC1 ZINC001529107303 938071093 /nfs/dbraw/zinc/07/10/93/938071093.db2.gz YRGVQKYRIQHMGN-UHFFFAOYSA-N 1 0 293.411 3.140 50 0 CGAARO O[C@H](c1cccs1)C1CC[NH+](C2CCSCC2)CC1 ZINC001529155401 938071422 /nfs/dbraw/zinc/07/14/22/938071422.db2.gz RYIDCJYJOFQEBY-HNNXBMFYSA-N 1 0 297.489 3.389 50 0 CGAARO Cc1cc2ccccc2n1CCN(C)c1ccnc(C)n1 ZINC001529194566 938071639 /nfs/dbraw/zinc/07/16/39/938071639.db2.gz ACSIFWTVYYWCHJ-UHFFFAOYSA-N 1 0 280.375 3.185 50 0 CGAARO CCn1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000096456825 230377532 /nfs/dbraw/zinc/37/75/32/230377532.db2.gz RGQDIIRDWZXINF-SJKOYZFVSA-N 1 0 287.382 3.455 50 0 CGAARO C[C@H](C[NH2+]C[C@](C)(O)c1ccco1)c1ccc(F)cc1 ZINC000096494083 230383676 /nfs/dbraw/zinc/38/36/76/230383676.db2.gz JYZNLVDUMZTBML-WBMJQRKESA-N 1 0 277.339 3.020 50 0 CGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccccc1C1CC1 ZINC000095505587 185000358 /nfs/dbraw/zinc/00/03/58/185000358.db2.gz IMLLOLSWSSMFGU-AWEZNQCLSA-N 1 0 287.407 3.170 50 0 CGAARO CCOc1cccc(C[N@H+](C)CCc2ccccn2)c1 ZINC000095939225 185035143 /nfs/dbraw/zinc/03/51/43/185035143.db2.gz BOHCFXBWWDEHOI-UHFFFAOYSA-N 1 0 270.376 3.155 50 0 CGAARO Cc1noc(C)c1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000095954919 185041752 /nfs/dbraw/zinc/04/17/52/185041752.db2.gz BJSMJGMGNZQRTO-UHFFFAOYSA-N 1 0 286.375 3.335 50 0 CGAARO CSC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000095968289 185046821 /nfs/dbraw/zinc/04/68/21/185046821.db2.gz CYNSCETXJPJUCK-GXFFZTMASA-N 1 0 273.829 3.105 50 0 CGAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000095968322 185046828 /nfs/dbraw/zinc/04/68/28/185046828.db2.gz HXKKLJSLPCJYGV-UKRRQHHQSA-N 1 0 259.349 3.096 50 0 CGAARO COC[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccco1 ZINC000095968835 185047642 /nfs/dbraw/zinc/04/76/42/185047642.db2.gz GPSWWHXPYCQKRL-WCQYABFASA-N 1 0 265.378 3.249 50 0 CGAARO CC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000095985869 185056607 /nfs/dbraw/zinc/05/66/07/185056607.db2.gz BOPNAIUZMPVTEH-DYVFJYSZSA-N 1 0 270.376 3.170 50 0 CGAARO COc1cc(C)ccc1OCC[NH+]1CCCCCC1 ZINC000004985942 344860287 /nfs/dbraw/zinc/86/02/87/344860287.db2.gz PGLBSHDLSGUWAY-UHFFFAOYSA-N 1 0 263.381 3.258 50 0 CGAARO CC(=O)O[C@@H]1C[C@@H](C(C)(C)C)C[N@@H+](C(C)(C)C)C1 ZINC000005378771 344860809 /nfs/dbraw/zinc/86/08/09/344860809.db2.gz CNNCIVWTZOLSDH-CHWSQXEVSA-N 1 0 255.402 3.085 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCSc2ccccc21 ZINC000037128149 344947348 /nfs/dbraw/zinc/94/73/48/344947348.db2.gz RKGKCDFDJNBDIN-AWEZNQCLSA-N 1 0 273.405 3.353 50 0 CGAARO CC(C)Oc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000052066271 345096713 /nfs/dbraw/zinc/09/67/13/345096713.db2.gz SOXNWMPAFYVANH-QMMMGPOBSA-N 1 0 258.159 3.256 50 0 CGAARO CCc1ccc(C[NH2+]Cc2cccc(CO)c2)s1 ZINC000066594067 345300835 /nfs/dbraw/zinc/30/08/35/345300835.db2.gz MOEQPCLBFPCWGG-UHFFFAOYSA-N 1 0 261.390 3.093 50 0 CGAARO CCC(C)(C)C[NH2+]C[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000076042613 345531738 /nfs/dbraw/zinc/53/17/38/345531738.db2.gz AFJUGXMTMIBMCE-ZBFHGGJFSA-N 1 0 293.455 3.140 50 0 CGAARO C[C@@]1(Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000085698595 345747618 /nfs/dbraw/zinc/74/76/18/345747618.db2.gz MGYQYGAOCUEGHD-LBPRGKRZSA-N 1 0 254.171 3.134 50 0 CGAARO C[C@]1(Cc2cccc(Br)c2)CCC[NH2+]1 ZINC000085698593 345747627 /nfs/dbraw/zinc/74/76/27/345747627.db2.gz MGYQYGAOCUEGHD-GFCCVEGCSA-N 1 0 254.171 3.134 50 0 CGAARO c1ccc([C@@H]2C[N@H+](Cc3ccncc3)CCS2)cc1 ZINC000095401534 345900077 /nfs/dbraw/zinc/90/00/77/345900077.db2.gz JUPQXOSABZRDLO-INIZCTEOSA-N 1 0 270.401 3.372 50 0 CGAARO CCOC(=O)NCCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000096027358 345901711 /nfs/dbraw/zinc/90/17/11/345901711.db2.gz JILGLLKJTSWNJK-UHFFFAOYSA-N 1 0 272.433 3.317 50 0 CGAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000127709043 346033847 /nfs/dbraw/zinc/03/38/47/346033847.db2.gz PPZRJXYNGINODQ-RVMXOQNASA-N 1 0 279.346 3.248 50 0 CGAARO CCS[C@@H]1CC[C@]1(O)C[NH2+]CC1CCC(C)CC1 ZINC000170591151 346194247 /nfs/dbraw/zinc/19/42/47/346194247.db2.gz DTHXYFOFIHKZSV-CVSAEHQPSA-N 1 0 271.470 3.049 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc(O)c1 ZINC000194906787 346272260 /nfs/dbraw/zinc/27/22/60/346272260.db2.gz UELHZBBJIYDFML-JQFCIGGWSA-N 1 0 285.391 3.423 50 0 CGAARO C[NH2+]CCCC(=O)N[C@H](c1cc(C)sc1C)C(C)C ZINC000195543471 346272772 /nfs/dbraw/zinc/27/27/72/346272772.db2.gz SFJFFCNQRQGXSI-HNNXBMFYSA-N 1 0 282.453 3.178 50 0 CGAARO CC[C@@H](NC(C)=O)c1cc(Cl)ccc1C1CC[NH2+]CC1 ZINC000223523575 346300612 /nfs/dbraw/zinc/30/06/12/346300612.db2.gz JXGFCLXTMNPUNT-MRXNPFEDSA-N 1 0 294.826 3.394 50 0 CGAARO CSCCC(=O)NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000584887617 346721517 /nfs/dbraw/zinc/72/15/17/346721517.db2.gz PTICUZBCQAMGCQ-HNNXBMFYSA-N 1 0 298.496 3.043 50 0 CGAARO Cn1cc([C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)cn1 ZINC000128485699 187373702 /nfs/dbraw/zinc/37/37/02/187373702.db2.gz DUKJZPWCENJNAN-FAAWYNLUSA-N 1 0 285.366 3.062 50 0 CGAARO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000090725145 180032907 /nfs/dbraw/zinc/03/29/07/180032907.db2.gz LPZABJUGJJYHJE-OLZOCXBDSA-N 1 0 292.448 3.216 50 0 CGAARO Cc1cc(CN(C)c2cc[nH+]c3cc(F)ccc32)no1 ZINC000091429082 180153082 /nfs/dbraw/zinc/15/30/82/180153082.db2.gz BJIVRLJKKNWWAQ-UHFFFAOYSA-N 1 0 271.295 3.307 50 0 CGAARO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(OC(C)(C)C)cc1 ZINC000156774130 188280408 /nfs/dbraw/zinc/28/04/08/188280408.db2.gz SPXSDQIZJBEOOX-CYBMUJFWSA-N 1 0 287.407 3.448 50 0 CGAARO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1Cl ZINC000179619240 189207860 /nfs/dbraw/zinc/20/78/60/189207860.db2.gz WJIAYHPTKADEOO-UHFFFAOYSA-N 1 0 283.799 3.207 50 0 CGAARO Cc1ccc([C@@](C)(O)C[NH2+][C@H]2CCCc3occc32)o1 ZINC000192900282 189631415 /nfs/dbraw/zinc/63/14/15/189631415.db2.gz UUAQQNPGXPIJDT-BBRMVZONSA-N 1 0 275.348 3.056 50 0 CGAARO Cc1ccc(Sc2ccc(CN3CC[C@H]([NH3+])C3)o2)cc1 ZINC000215503548 189694699 /nfs/dbraw/zinc/69/46/99/189694699.db2.gz SSWCHZGNNNVNII-ZDUSSCGKSA-N 1 0 288.416 3.272 50 0 CGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000000238575 368321315 /nfs/dbraw/zinc/32/13/15/368321315.db2.gz ANHCYNHTKSMBLG-ZDUSSCGKSA-N 1 0 281.783 3.115 50 0 CGAARO Cc1cc(NC(=O)C[NH+]2CCCCCC2)c2ccccc2n1 ZINC000000104340 368290295 /nfs/dbraw/zinc/29/02/95/368290295.db2.gz UOGPAYAIJXEEMG-UHFFFAOYSA-N 1 0 297.402 3.358 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC000000241034 368323031 /nfs/dbraw/zinc/32/30/31/368323031.db2.gz OGTUGMNLNCGVAM-MRXNPFEDSA-N 1 0 275.392 3.079 50 0 CGAARO CC[C@]1(C)C[C@@](CC[NH3+])(c2ccc(OC)cc2)CCO1 ZINC000000171743 368307970 /nfs/dbraw/zinc/30/79/70/368307970.db2.gz JSZSRSVBYOBTJA-SJORKVTESA-N 1 0 277.408 3.261 50 0 biogenic CGAARO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000000448268 368368982 /nfs/dbraw/zinc/36/89/82/368368982.db2.gz QZSYUWQELBNZEE-BFYDXBDKSA-N 1 0 291.435 3.021 50 0 CGAARO Cc1cc(NC(=O)C[NH2+]C2CCCCC2)c2ccccc2n1 ZINC000000712007 368393446 /nfs/dbraw/zinc/39/34/46/368393446.db2.gz PZSQXCIMXQEPRK-UHFFFAOYSA-N 1 0 297.402 3.404 50 0 CGAARO CCOC(=O)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000000757275 368393703 /nfs/dbraw/zinc/39/37/03/368393703.db2.gz WTKZLMHFHCIAGK-AWEZNQCLSA-N 1 0 275.392 3.065 50 0 CGAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccs3)CC2)C1 ZINC000000783100 368395259 /nfs/dbraw/zinc/39/52/59/368395259.db2.gz PPTLXQUWPZTBSO-KBPBESRZSA-N 1 0 292.448 3.085 50 0 CGAARO CC[NH+](CC)CCOC(=O)c1oc2ccccc2c1C ZINC000001845019 368439717 /nfs/dbraw/zinc/43/97/17/368439717.db2.gz JZFWTZVHIUWKCI-UHFFFAOYSA-N 1 0 275.348 3.240 50 0 CGAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000002336398 368452090 /nfs/dbraw/zinc/45/20/90/368452090.db2.gz IDYBAJHUOOKQIE-QWHCGFSZSA-N 1 0 270.376 3.471 50 0 CGAARO OCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000002545390 368463390 /nfs/dbraw/zinc/46/33/90/368463390.db2.gz LKOXRTJFYFGTKJ-UHFFFAOYSA-N 1 0 255.361 3.071 50 0 CGAARO CC[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000002825420 368481484 /nfs/dbraw/zinc/48/14/84/368481484.db2.gz FHKLSOFGOJXBRG-SNVBAGLBSA-N 1 0 261.287 3.472 50 0 CGAARO Cc1[nH]c2ccccc2c(=O)c1C[NH+]1CCCCC1 ZINC000002867973 368482247 /nfs/dbraw/zinc/48/22/47/368482247.db2.gz XHTAAEZHPPFTSB-UHFFFAOYSA-N 1 0 256.349 3.235 50 0 biogenic CGAARO COCC[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000003001758 368488300 /nfs/dbraw/zinc/48/83/00/368488300.db2.gz BVMHBHSMXZAVJB-UHFFFAOYSA-N 1 0 285.815 3.252 50 0 CGAARO [NH3+]CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000003109439 368492349 /nfs/dbraw/zinc/49/23/49/368492349.db2.gz XTKOGHRUORLSMB-UHFFFAOYSA-N 1 0 250.345 3.191 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000004012282 368525890 /nfs/dbraw/zinc/52/58/90/368525890.db2.gz KUYBDOWEEWZIMG-KFWWJZLASA-N 1 0 265.784 3.296 50 0 CGAARO OC(c1ccccc1)(c1ccccc1)[C@H]1CCCCC[NH2+]1 ZINC000003632768 368515929 /nfs/dbraw/zinc/51/59/29/368515929.db2.gz BPUCFKSONPJZJK-GOSISDBHSA-N 1 0 281.399 3.455 50 0 CGAARO CC[NH+]1CCC(Nc2cccc(SC)c2)CC1 ZINC000003684424 368517536 /nfs/dbraw/zinc/51/75/36/368517536.db2.gz VJWSGOVBGFCEEN-UHFFFAOYSA-N 1 0 250.411 3.305 50 0 CGAARO CC[C@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004525098 368549844 /nfs/dbraw/zinc/54/98/44/368549844.db2.gz NKBPLOQRMUVJTN-ZQIUZPCESA-N 1 0 275.392 3.352 50 0 CGAARO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@@H+](CC1CC1)CCO2 ZINC000011999426 368601784 /nfs/dbraw/zinc/60/17/84/368601784.db2.gz RHBHIIKAXYNEJR-QGZVFWFLSA-N 1 0 289.419 3.371 50 0 CGAARO Brc1ccc(SC2CC[NH2+]CC2)cc1 ZINC000012336817 368607773 /nfs/dbraw/zinc/60/77/73/368607773.db2.gz QGTSDUFWJPPASZ-UHFFFAOYSA-N 1 0 272.211 3.293 50 0 CGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(C)cc1)C2 ZINC000015063740 368690143 /nfs/dbraw/zinc/69/01/43/368690143.db2.gz AWROGUBVSNSTLG-INIZCTEOSA-N 1 0 283.371 3.097 50 0 CGAARO Cc1ccc(OCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000016247826 368709962 /nfs/dbraw/zinc/70/99/62/368709962.db2.gz GTNBMOPAKKZKSY-IYBDPMFKSA-N 1 0 277.408 3.182 50 0 CGAARO FC(F)(F)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631214 368682477 /nfs/dbraw/zinc/68/24/77/368682477.db2.gz JOGHAZMIPHVCQX-SNVBAGLBSA-N 1 0 259.271 3.084 50 0 CGAARO c1cc2c(cccc2C[NH2+]Cc2ccc3c(c2)OCO3)[nH]1 ZINC000014987932 368686740 /nfs/dbraw/zinc/68/67/40/368686740.db2.gz BFLFCHOLSNKEEE-UHFFFAOYSA-N 1 0 280.327 3.186 50 0 biogenic CGAARO Cc1ccn(CC[NH+]2CCC(Oc3cccc(C)c3)CC2)n1 ZINC000019147313 368743863 /nfs/dbraw/zinc/74/38/63/368743863.db2.gz IFTPWMMVLFFJQL-UHFFFAOYSA-N 1 0 299.418 3.043 50 0 CGAARO O=Cc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000019094045 368744724 /nfs/dbraw/zinc/74/47/24/368744724.db2.gz YNHSZXNGMTYFAU-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO [NH3+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000019420670 368751268 /nfs/dbraw/zinc/75/12/68/368751268.db2.gz XFQGIGAQJPNZSL-QMMMGPOBSA-N 1 0 268.076 3.401 50 0 CGAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000023280714 368818276 /nfs/dbraw/zinc/81/82/76/368818276.db2.gz MLBNDXLLJFHQEK-SFHVURJKSA-N 1 0 297.398 3.222 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000023282092 368819749 /nfs/dbraw/zinc/81/97/49/368819749.db2.gz JXZKDAHRHCEMJH-INIZCTEOSA-N 1 0 260.381 3.410 50 0 CGAARO CC1(C)CC(Nc2ncnc3ccccc32)CC(C)(C)[NH2+]1 ZINC000025151357 368841308 /nfs/dbraw/zinc/84/13/08/368841308.db2.gz ILDNJHUAHKUYHT-UHFFFAOYSA-N 1 0 284.407 3.351 50 0 CGAARO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)o1 ZINC000027399004 368871461 /nfs/dbraw/zinc/87/14/61/368871461.db2.gz SQRHKZGNAGJTSB-SWLSCSKDSA-N 1 0 299.370 3.464 50 0 CGAARO CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583919 368872149 /nfs/dbraw/zinc/87/21/49/368872149.db2.gz DEHAZQXYOWKFHN-CQSZACIVSA-N 1 0 280.799 3.003 50 0 CGAARO CC(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583929 368872918 /nfs/dbraw/zinc/87/29/18/368872918.db2.gz YTUANMPXVDXNDT-OAHLLOKOSA-N 1 0 294.826 3.249 50 0 CGAARO CCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027989160 368879149 /nfs/dbraw/zinc/87/91/49/368879149.db2.gz ODFVNQUJIJKMHD-INIZCTEOSA-N 1 0 274.408 3.048 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)CC(C)C)[NH+]2CCCC2)cc1 ZINC000027992446 368879404 /nfs/dbraw/zinc/87/94/04/368879404.db2.gz GGYZCSXWBAKOCB-QGZVFWFLSA-N 1 0 288.435 3.294 50 0 CGAARO Clc1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000028522180 368886723 /nfs/dbraw/zinc/88/67/23/368886723.db2.gz OYHVVJJVWJBNCQ-AWEZNQCLSA-N 1 0 253.773 3.389 50 0 CGAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2ccccc2o1 ZINC000030908810 368909608 /nfs/dbraw/zinc/90/96/08/368909608.db2.gz MJLYDEIZPRCETK-HNNXBMFYSA-N 1 0 281.359 3.334 50 0 CGAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Br)c1 ZINC000033647595 368967494 /nfs/dbraw/zinc/96/74/94/368967494.db2.gz GIDJZDYNVHMFAH-SECBINFHSA-N 1 0 284.197 3.408 50 0 in-vivo CGAARO OCCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCC[NH2+]C1 ZINC000034573512 368975508 /nfs/dbraw/zinc/97/55/08/368975508.db2.gz RWSLGEHCZNXJBR-AWEZNQCLSA-N 1 0 288.218 3.387 50 0 CGAARO CC(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000034935726 368980336 /nfs/dbraw/zinc/98/03/36/368980336.db2.gz PJALUDRXGHNLSX-SFHVURJKSA-N 1 0 294.398 3.463 50 0 CGAARO CN(C(=O)c1csc2ccccc12)C1CC[NH+](C)CC1 ZINC000032865791 368949477 /nfs/dbraw/zinc/94/94/77/368949477.db2.gz CKQKTIYXISRSQJ-UHFFFAOYSA-N 1 0 288.416 3.068 50 0 CGAARO CC(C)CC[N@@H+](Cc1ccsc1)C[C@H](O)COC(C)C ZINC000036099592 369008382 /nfs/dbraw/zinc/00/83/82/369008382.db2.gz CUBTVFXQXIUYOH-INIZCTEOSA-N 1 0 299.480 3.382 50 0 CGAARO [NH3+][C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000037761759 369104423 /nfs/dbraw/zinc/10/44/23/369104423.db2.gz IAYYWQKHEGNAIJ-INIZCTEOSA-N 1 0 252.292 3.422 50 0 CGAARO COc1cc(CNc2[nH+]ccn2CC(C)C)ccc1C ZINC000225516133 189755580 /nfs/dbraw/zinc/75/55/80/189755580.db2.gz SRICZOSICIKLHV-UHFFFAOYSA-N 1 0 273.380 3.468 50 0 CGAARO COc1ccc(OCC[NH2+]C2CCCCCC2)cc1 ZINC000041582139 369192315 /nfs/dbraw/zinc/19/23/15/369192315.db2.gz SGLPRWHPEFMENA-UHFFFAOYSA-N 1 0 263.381 3.386 50 0 CGAARO c1ccc(-c2ccc(COC[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000042772008 369230870 /nfs/dbraw/zinc/23/08/70/369230870.db2.gz YOWSQZRFNCTBJG-INIZCTEOSA-N 1 0 267.372 3.480 50 0 CGAARO Clc1ccc(OC[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000042773358 369231956 /nfs/dbraw/zinc/23/19/56/369231956.db2.gz KCVAPLAIPAZZEA-LLVKDONJSA-N 1 0 261.752 3.482 50 0 CGAARO O[C@H](C[NH2+]Cc1ccccc1Cl)c1ccsc1 ZINC000219107122 376195601 /nfs/dbraw/zinc/19/56/01/376195601.db2.gz MQIURWYSOIWJRS-CYBMUJFWSA-N 1 0 267.781 3.225 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccccc2)on1 ZINC000047273736 369310908 /nfs/dbraw/zinc/31/09/08/369310908.db2.gz CEOMXBSGQHEBJE-HNNXBMFYSA-N 1 0 272.348 3.199 50 0 CGAARO c1nc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)oc1-c1ccccc1 ZINC000047405674 369313410 /nfs/dbraw/zinc/31/34/10/369313410.db2.gz ZHNBXNYQQVFYGP-AWEZNQCLSA-N 1 0 298.386 3.343 50 0 CGAARO CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048344938 369342885 /nfs/dbraw/zinc/34/28/85/369342885.db2.gz FPYTWGPOSIZYAC-GJZGRUSLSA-N 1 0 288.435 3.191 50 0 CGAARO C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000049595576 369412428 /nfs/dbraw/zinc/41/24/28/369412428.db2.gz KWFLQIVXPXRQLK-UHFFFAOYSA-N 1 0 284.197 3.060 50 0 CGAARO Clc1cccc(-c2nc3c(s2)C[NH2+]CC3)c1 ZINC000053335617 369482409 /nfs/dbraw/zinc/48/24/09/369482409.db2.gz CSWQEVFZLHCJDL-UHFFFAOYSA-N 1 0 250.754 3.109 50 0 CGAARO O=C(c1cccs1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000054991905 369508456 /nfs/dbraw/zinc/50/84/56/369508456.db2.gz POGGZSGIQQXWHK-UHFFFAOYSA-N 1 0 292.448 3.229 50 0 CGAARO c1ccc(CC[C@@H]2C[N@@H+](C3CCCC3)CCO2)cc1 ZINC000055134238 369512042 /nfs/dbraw/zinc/51/20/42/369512042.db2.gz DFHQZLAGYSCOTH-QGZVFWFLSA-N 1 0 259.393 3.263 50 0 CGAARO Cc1cc(C)c(C)c(C(=O)NCC[C@H]2CCC[N@H+]2C)c1C ZINC000055133117 369512082 /nfs/dbraw/zinc/51/20/82/369512082.db2.gz HULGOBRUJSCKJU-MRXNPFEDSA-N 1 0 288.435 3.134 50 0 CGAARO CCC[C@@H](C)C[NH+]1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000055393242 369516891 /nfs/dbraw/zinc/51/68/91/369516891.db2.gz BZRSMFWQYAXXAQ-CQSZACIVSA-N 1 0 290.455 3.304 50 0 CGAARO CC[NH+](CC)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000058012574 369553528 /nfs/dbraw/zinc/55/35/28/369553528.db2.gz UARKTDBWHMRIKC-INIZCTEOSA-N 1 0 274.408 3.128 50 0 CGAARO CCCc1nc(C[NH2+]C2CCSCC2)cs1 ZINC000065370990 369669328 /nfs/dbraw/zinc/66/93/28/369669328.db2.gz DBQPKDJGJSFJCB-UHFFFAOYSA-N 1 0 256.440 3.081 50 0 CGAARO CCNc1ncc(C[N@H+]([C@@H](C)CC)C2CCCC2)cn1 ZINC000063871654 369650466 /nfs/dbraw/zinc/65/04/66/369650466.db2.gz VBYKBAYXVLJEDJ-ZDUSSCGKSA-N 1 0 276.428 3.452 50 0 CGAARO Cc1[nH]c2ccc(CNc3cc(C)[nH+]c(N)n3)cc2c1C ZINC000064947697 369662344 /nfs/dbraw/zinc/66/23/44/369662344.db2.gz WCBAOYIKTPEOHA-UHFFFAOYSA-N 1 0 281.363 3.077 50 0 CGAARO CCSC[C@@H](C)[NH2+]Cc1cc(-c2ccco2)on1 ZINC000067514148 369719165 /nfs/dbraw/zinc/71/91/65/369719165.db2.gz JFDPWMAVMRIZTA-SNVBAGLBSA-N 1 0 266.366 3.166 50 0 CGAARO COc1ccc2[nH]c(C[NH2+][C@H](C)CC(C)(C)OC)cc2c1 ZINC000065397780 369672757 /nfs/dbraw/zinc/67/27/57/369672757.db2.gz ZXQRJTRZFPAZIF-GFCCVEGCSA-N 1 0 290.407 3.470 50 0 CGAARO CC[N@@H+]1CCC[C@@H](c2[nH]cnc2-c2ccccc2)C1 ZINC000065505131 369680728 /nfs/dbraw/zinc/68/07/28/369680728.db2.gz VAKSHCFUGVZBAM-CQSZACIVSA-N 1 0 255.365 3.276 50 0 CGAARO CCc1noc([C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000065540311 369682441 /nfs/dbraw/zinc/68/24/41/369682441.db2.gz ZJCCSZRTWYLARM-JSGCOSHPSA-N 1 0 271.364 3.183 50 0 CGAARO O=C(c1ccccc1)C1CCN(Cc2cscn2)CC1 ZINC000069419564 369758928 /nfs/dbraw/zinc/75/89/28/369758928.db2.gz UDMVYVKCRWTGNY-UHFFFAOYSA-N 1 0 286.400 3.238 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000069588136 369765340 /nfs/dbraw/zinc/76/53/40/369765340.db2.gz OWAIIRRCFFIFEC-GJZGRUSLSA-N 1 0 292.810 3.039 50 0 CGAARO CC(C)CC[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000071773590 369810888 /nfs/dbraw/zinc/81/08/88/369810888.db2.gz KWAPEXIWYNEGAV-GFCCVEGCSA-N 1 0 291.222 3.245 50 0 in-vitro CGAARO CSCCC[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000072171621 369816239 /nfs/dbraw/zinc/81/62/39/369816239.db2.gz OHTFWLSLDXXANJ-CQSZACIVSA-N 1 0 250.411 3.362 50 0 CGAARO C[C@H]([NH2+]Cc1cccc2cccnc21)[C@H](C)n1cccn1 ZINC000075133893 369895063 /nfs/dbraw/zinc/89/50/63/369895063.db2.gz DICNQKJEYSXCSQ-KBPBESRZSA-N 1 0 280.375 3.171 50 0 CGAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cccc3cccnc32)c1 ZINC000075133945 369895078 /nfs/dbraw/zinc/89/50/78/369895078.db2.gz UQEZSEGNFSITNS-CABCVRRESA-N 1 0 294.402 3.479 50 0 CGAARO C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(C[NH+](C)C)c2)O1 ZINC000076082712 369928615 /nfs/dbraw/zinc/92/86/15/369928615.db2.gz UYCROCRPUFDCFX-CZUORRHYSA-N 1 0 290.407 3.034 50 0 CGAARO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1 ZINC000083862073 370009386 /nfs/dbraw/zinc/00/93/86/370009386.db2.gz RDLKUUOIHWIXDX-UHFFFAOYSA-N 1 0 294.807 3.132 50 0 CGAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000084780021 370015077 /nfs/dbraw/zinc/01/50/77/370015077.db2.gz JZTOUSNJJMRQCO-IUODEOHRSA-N 1 0 293.386 3.020 50 0 CGAARO c1ccc(C[NH2+]C[C@H]2C[C@]23CCc2ccccc23)nc1 ZINC000088744984 370036955 /nfs/dbraw/zinc/03/69/55/370036955.db2.gz CQQYCQBRLCUAIR-CRAIPNDOSA-N 1 0 264.372 3.075 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)[C@H]1CC=CCC1 ZINC000089488983 370042442 /nfs/dbraw/zinc/04/24/42/370042442.db2.gz YPYSFJWLJQVCIC-GJZGRUSLSA-N 1 0 289.375 3.144 50 0 CGAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000090393088 370060896 /nfs/dbraw/zinc/06/08/96/370060896.db2.gz DNXKNOODCZUJDD-DOMZBBRYSA-N 1 0 258.365 3.404 50 0 CGAARO OCC[N@H+](Cc1cc2ccccc2s1)Cc1cccnc1 ZINC000093085806 370108000 /nfs/dbraw/zinc/10/80/00/370108000.db2.gz OFRWYUVIMCCUSH-UHFFFAOYSA-N 1 0 298.411 3.291 50 0 CGAARO Cc1cnc([C@@H]2CCCN(CC[NH+]3CCCCC3)C2)s1 ZINC000095399127 370182796 /nfs/dbraw/zinc/18/27/96/370182796.db2.gz VGALGFQUOBXTNV-OAHLLOKOSA-N 1 0 293.480 3.117 50 0 CGAARO Cn1cc(C(C)(C)[NH2+]Cc2cnc(C3CCC3)s2)cn1 ZINC000095415512 370184949 /nfs/dbraw/zinc/18/49/49/370184949.db2.gz GULSTMWBVQAWDO-UHFFFAOYSA-N 1 0 290.436 3.169 50 0 CGAARO CC(C)(C)OC(=O)Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000097758750 370253083 /nfs/dbraw/zinc/25/30/83/370253083.db2.gz AEZCCEXZBZGAKP-UHFFFAOYSA-N 1 0 292.379 3.164 50 0 CGAARO Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCCSC2)cc1F ZINC000097084682 370223524 /nfs/dbraw/zinc/22/35/24/370223524.db2.gz WFIOYOKVOVTRIX-DFBGVHRSSA-N 1 0 299.386 3.280 50 0 CGAARO Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@]3(C)CO)s2)o1 ZINC000097105383 370225724 /nfs/dbraw/zinc/22/57/24/370225724.db2.gz XGUQMKOSIUZTGU-OAHLLOKOSA-N 1 0 292.404 3.058 50 0 CGAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000097110879 370226432 /nfs/dbraw/zinc/22/64/32/370226432.db2.gz JCYCWHAZMHXTNL-CHWSQXEVSA-N 1 0 278.444 3.301 50 0 CGAARO CC(C)Oc1ccc([C@H]2CCC[C@H]2N2CC[NH2+]CC2)cc1 ZINC000097165786 370232238 /nfs/dbraw/zinc/23/22/38/370232238.db2.gz PHIUIFWHXAUFGC-QZTJIDSGSA-N 1 0 288.435 3.015 50 0 CGAARO Cc1nc(-c2ccccc2N(C)C)n(-c2cc[nH+]c(C)c2)n1 ZINC000097814962 370253996 /nfs/dbraw/zinc/25/39/96/370253996.db2.gz AEQJRJHHUNAVBT-UHFFFAOYSA-N 1 0 293.374 3.012 50 0 CGAARO COc1cccc([C@@H]2CCCCN2Cc2c[nH]cn2)c1 ZINC000097655544 370249969 /nfs/dbraw/zinc/24/99/69/370249969.db2.gz KCCNYYXHOUYPEX-INIZCTEOSA-N 1 0 271.364 3.146 50 0 CGAARO c1cn(CCC[NH2+][C@H]2CCCSc3ccccc32)cn1 ZINC000095419075 370186818 /nfs/dbraw/zinc/18/68/18/370186818.db2.gz DQHNAZQREVFEON-HNNXBMFYSA-N 1 0 287.432 3.490 50 0 CGAARO CC[C@H]([NH2+]Cc1ccnn1C)c1ccc(OC(F)F)cc1 ZINC000095420186 370187860 /nfs/dbraw/zinc/18/78/60/370187860.db2.gz GYVBRGQPXJTQHH-AWEZNQCLSA-N 1 0 295.333 3.262 50 0 CGAARO C[C@H](CO)[NH2+][C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000095420760 370188448 /nfs/dbraw/zinc/18/84/48/370188448.db2.gz NOFKTQNGMCQLSG-MZMPZRCHSA-N 1 0 283.371 3.222 50 0 CGAARO Cc1cccc([C@@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000095421123 370188531 /nfs/dbraw/zinc/18/85/31/370188531.db2.gz XKOMLUHRMNRHFF-OAHLLOKOSA-N 1 0 292.386 3.427 50 0 CGAARO Cc1csc(CCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000095421646 370188845 /nfs/dbraw/zinc/18/88/45/370188845.db2.gz UVRBUSMPPFQVKK-GFCCVEGCSA-N 1 0 282.453 3.320 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCO)s1 ZINC000095423112 370189551 /nfs/dbraw/zinc/18/95/51/370189551.db2.gz ZIWUEMMFWKCNCE-CYBMUJFWSA-N 1 0 291.416 3.278 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000095425771 370189769 /nfs/dbraw/zinc/18/97/69/370189769.db2.gz KJIODGSXKAYXNZ-UHFFFAOYSA-N 1 0 279.742 3.261 50 0 CGAARO Cc1cc(C)[nH+]c(NCc2c[nH]nc2-c2cccnc2)c1 ZINC000095431271 370192376 /nfs/dbraw/zinc/19/23/76/370192376.db2.gz OLJVBSVVIFGOIC-UHFFFAOYSA-N 1 0 279.347 3.096 50 0 CGAARO Cc1ncsc1C[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095448884 370195495 /nfs/dbraw/zinc/19/54/95/370195495.db2.gz ICISBKRPOUQCMR-QMTHXVAHSA-N 1 0 294.395 3.192 50 0 CGAARO CCN(CC)C(=O)CC[NH2+][C@@H](C(C)C)C1CCCCC1 ZINC000095462785 370198327 /nfs/dbraw/zinc/19/83/27/370198327.db2.gz ZNWOFBNJDCKPOX-KRWDZBQOSA-N 1 0 282.472 3.439 50 0 CGAARO Cc1cc(C(=O)NCC[C@@H]2CCC[NH2+]2)c(-c2ccccc2)o1 ZINC000096162483 370206120 /nfs/dbraw/zinc/20/61/20/370206120.db2.gz DGQOEURUDCDIKQ-HNNXBMFYSA-N 1 0 298.386 3.127 50 0 CGAARO CC(C)c1nc(C[N@H+](C)[C@H]2CCOC(C)(C)C2)co1 ZINC000102536510 370305405 /nfs/dbraw/zinc/30/54/05/370305405.db2.gz DDFBIIWSFGBHMP-ZDUSSCGKSA-N 1 0 266.385 3.187 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793879 370450976 /nfs/dbraw/zinc/45/09/76/370450976.db2.gz CQXQAIDOZIYLOU-CMPLNLGQSA-N 1 0 271.307 3.118 50 0 CGAARO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793881 370451896 /nfs/dbraw/zinc/45/18/96/370451896.db2.gz CQXQAIDOZIYLOU-ZYHUDNBSSA-N 1 0 271.307 3.118 50 0 CGAARO Cc1oc(C)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012851256 541852265 /nfs/dbraw/zinc/85/22/65/541852265.db2.gz NNCMAHFYNJJOFY-UHFFFAOYSA-N 1 0 292.423 3.244 50 0 CGAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cc(=O)[nH]1 ZINC000426394530 372155550 /nfs/dbraw/zinc/15/55/50/372155550.db2.gz HIGKWRICZBGGFU-GFCCVEGCSA-N 1 0 283.375 3.314 50 0 CGAARO C[C@@H](c1ccc(-c2cn(C)cn2)cc1)[NH+]1CCCC1 ZINC000426666927 372167318 /nfs/dbraw/zinc/16/73/18/372167318.db2.gz CGCWPWKYTOPMHW-ZDUSSCGKSA-N 1 0 255.365 3.244 50 0 CGAARO CCc1nc([C@H](C)[NH2+][C@H](COC)C(C)C)cs1 ZINC000162390377 372392660 /nfs/dbraw/zinc/39/26/60/372392660.db2.gz QUPONSAZZJIAOI-WDEREUQCSA-N 1 0 256.415 3.027 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc21 ZINC000169159102 372627512 /nfs/dbraw/zinc/62/75/12/372627512.db2.gz YKFPAHJGPZRWQF-CJNGLKHVSA-N 1 0 253.345 3.341 50 0 CGAARO Cn1c(SCCC[NH+]2CCCCC2)nnc1C1CCC1 ZINC000170604490 372641563 /nfs/dbraw/zinc/64/15/63/372641563.db2.gz SBPYZKVKZLWEOZ-UHFFFAOYSA-N 1 0 294.468 3.051 50 0 CGAARO CC[NH+](CC)CCSCc1cc(Br)no1 ZINC000170610428 372644014 /nfs/dbraw/zinc/64/40/14/372644014.db2.gz ZDDWCGQDGOHIAI-UHFFFAOYSA-N 1 0 293.230 3.012 50 0 CGAARO Cc1ccc(CNC2=[NH+]CCCNC23CCCCC3)cc1 ZINC000064459858 541888331 /nfs/dbraw/zinc/88/83/31/541888331.db2.gz GGHCTXAKRYPQSX-UHFFFAOYSA-N 1 0 285.435 3.179 50 0 CGAARO c1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000345030896 217391333 /nfs/dbraw/zinc/39/13/33/217391333.db2.gz TWCTYIGWYUIACW-HNNXBMFYSA-N 1 0 269.344 3.006 50 0 CGAARO C[C@@H]([NH2+]Cc1nc2ccccc2s1)[C@H](C)n1cccn1 ZINC000084139661 541932092 /nfs/dbraw/zinc/93/20/92/541932092.db2.gz GCAQYPNSBNCLQV-NEPJUHHUSA-N 1 0 286.404 3.232 50 0 CGAARO C[C@@H]1C[C@@H]([NH2+]C2CCSCC2)CN1c1ccccc1 ZINC000095968692 541992413 /nfs/dbraw/zinc/99/24/13/541992413.db2.gz QYIPXHMTBJQKJC-UKRRQHHQSA-N 1 0 276.449 3.139 50 0 CGAARO C[N@H+](CCc1cccnc1)CC1(c2ccccc2)CC1 ZINC000189305933 375360923 /nfs/dbraw/zinc/36/09/23/375360923.db2.gz BWDVSUBIFSAPSB-UHFFFAOYSA-N 1 0 266.388 3.288 50 0 CGAARO C[C@H](C[NH+]1CCC(CC(N)=O)CC1)c1cccc(Cl)c1 ZINC000189687353 375435280 /nfs/dbraw/zinc/43/52/80/375435280.db2.gz WDOCBVFVTAGFLX-GFCCVEGCSA-N 1 0 294.826 3.031 50 0 CGAARO c1sc([C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1C1CCCC1 ZINC000336031204 375634430 /nfs/dbraw/zinc/63/44/30/375634430.db2.gz ARNALCCVUTYDHN-GXTWGEPZSA-N 1 0 278.421 3.336 50 0 CGAARO Clc1ccsc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000194361597 375992187 /nfs/dbraw/zinc/99/21/87/375992187.db2.gz YPEGDSIPQPPNDZ-UHFFFAOYSA-N 1 0 281.812 3.435 50 0 CGAARO C[C@H](C[NH2+]C[C@H]1CCC=CO1)c1nc(-c2ccccc2)no1 ZINC000194532714 376014141 /nfs/dbraw/zinc/01/41/41/376014141.db2.gz ZAQNVLZOCOZROS-UKRRQHHQSA-N 1 0 299.374 3.122 50 0 CGAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)on1 ZINC000535074041 376021745 /nfs/dbraw/zinc/02/17/45/376021745.db2.gz SMHUNHBTLLNCIF-HNNXBMFYSA-N 1 0 282.347 3.196 50 0 CGAARO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2)o1 ZINC000215253960 376146372 /nfs/dbraw/zinc/14/63/72/376146372.db2.gz ONJRXVDAGXTDOG-MRXNPFEDSA-N 1 0 285.387 3.459 50 0 CGAARO COc1ccccc1-c1ncc(C[NH+]2CCC2)s1 ZINC000215206199 376146766 /nfs/dbraw/zinc/14/67/66/376146766.db2.gz DYYVYOJDVBANQZ-UHFFFAOYSA-N 1 0 260.362 3.024 50 0 CGAARO OC[C@@H]1CCCCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000216212911 376161145 /nfs/dbraw/zinc/16/11/45/376161145.db2.gz GVSQOFCPLNKIJZ-AWEZNQCLSA-N 1 0 271.763 3.216 50 0 CGAARO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC000225532750 376314422 /nfs/dbraw/zinc/31/44/22/376314422.db2.gz XVJWADICSQKEIG-ZDUSSCGKSA-N 1 0 289.350 3.351 50 0 CGAARO Cc1ccc(CN(C)Cc2nc3ncccc3o2)cc1 ZINC000225846304 376329450 /nfs/dbraw/zinc/32/94/50/376329450.db2.gz CBOAEONIESORDC-UHFFFAOYSA-N 1 0 267.332 3.163 50 0 CGAARO COCCn1cncc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000240163627 376774266 /nfs/dbraw/zinc/77/42/66/376774266.db2.gz JCVXNBNJSKWZBW-SFHVURJKSA-N 1 0 299.418 3.039 50 0 CGAARO Cc1nc[nH]c1C[N@H+](C)CCCOc1cc(C)ccc1C ZINC000244673988 376793201 /nfs/dbraw/zinc/79/32/01/376793201.db2.gz HZIRJDJAYDQVHK-UHFFFAOYSA-N 1 0 287.407 3.236 50 0 CGAARO c1ccc(COC[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)cc1 ZINC000247893282 377243986 /nfs/dbraw/zinc/24/39/86/377243986.db2.gz UJIOARYLJUROBG-QZTJIDSGSA-N 1 0 289.419 3.094 50 0 CGAARO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000252493626 377632919 /nfs/dbraw/zinc/63/29/19/377632919.db2.gz NEURMEGUEHENPW-KMFMINBZSA-N 1 0 275.392 3.366 50 0 CGAARO CCN1CCC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000252494060 377633172 /nfs/dbraw/zinc/63/31/72/377633172.db2.gz NKALHNAMXKCQNS-HNNXBMFYSA-N 1 0 250.430 3.029 50 0 CGAARO COCC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 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276254124 /nfs/dbraw/zinc/25/41/24/276254124.db2.gz MUYNQVXAZFNNQL-SUMWQHHRSA-N 1 0 284.403 3.024 50 0 biogenic CGAARO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000095946231 277082408 /nfs/dbraw/zinc/08/24/08/277082408.db2.gz FZROXFBKPYYLSG-KGLIPLIRSA-N 1 0 253.386 3.031 50 0 CGAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCC(C)(C)C2)C1 ZINC000344469291 277333901 /nfs/dbraw/zinc/33/39/01/277333901.db2.gz UVTHTYBOOCXGFW-HUUCEWRRSA-N 1 0 280.456 3.049 50 0 CGAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1O ZINC000000188100 277936261 /nfs/dbraw/zinc/93/62/61/277936261.db2.gz FOALAHSBSSUICF-QGZVFWFLSA-N 1 0 294.354 3.117 50 0 CGAARO CC1(C)CC(NC(=O)NC2CCCCCC2)CC(C)(C)[NH2+]1 ZINC000045545477 278190270 /nfs/dbraw/zinc/19/02/70/278190270.db2.gz NCZKQZHXNJYYKI-UHFFFAOYSA-N 1 0 295.471 3.318 50 0 CGAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])CC12CCCCC2 ZINC000012505588 278404853 /nfs/dbraw/zinc/40/48/53/278404853.db2.gz BEMKTJWLESTTEL-GFCCVEGCSA-N 1 0 268.401 3.048 50 0 CGAARO CC(C)CSC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000095968704 278948817 /nfs/dbraw/zinc/94/88/17/278948817.db2.gz MLIOSUYBDDMYMB-CHWSQXEVSA-N 1 0 296.484 3.043 50 0 CGAARO Cc1ccc(C2=CN(O)[C@@H]3CCCC[C@H]3[N+]2=O)cc1 ZINC000334157206 280801020 /nfs/dbraw/zinc/80/10/20/280801020.db2.gz CPFJHVGOGWKMMI-ZIAGYGMSSA-N 1 0 259.329 3.088 50 0 CGAARO C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1COc2ccccc21 ZINC000241587900 290047597 /nfs/dbraw/zinc/04/75/97/290047597.db2.gz OYAVTYDDOOTBEU-SGMGOOAPSA-N 1 0 263.406 3.036 50 0 CGAARO O=C1N(C2CC[NH2+]CC2)[C@@H](c2ccccc2)C12CCCCC2 ZINC000169676541 304652551 /nfs/dbraw/zinc/65/25/51/304652551.db2.gz PUSPJJSIFTTWBH-KRWDZBQOSA-N 1 0 298.430 3.272 50 0 CGAARO Cc1ccccc1CN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000195529939 302096422 /nfs/dbraw/zinc/09/64/22/302096422.db2.gz CFEXLUKLFJMRBG-SFHVURJKSA-N 1 0 296.414 3.434 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000060131676 327018541 /nfs/dbraw/zinc/01/85/41/327018541.db2.gz JUOFFHIJXCKYCS-AWEZNQCLSA-N 1 0 291.391 3.449 50 0 CGAARO c1cncc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2C=CCCC2)c1 ZINC000229674954 329356904 /nfs/dbraw/zinc/35/69/04/329356904.db2.gz IEIIRLWYNDDPRA-IAGOWNOFSA-N 1 0 272.392 3.171 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257792 330245205 /nfs/dbraw/zinc/24/52/05/330245205.db2.gz ZSECNMBCGSHNHK-VXGBXAGGSA-N 1 0 289.345 3.248 50 0 CGAARO C/C=C/CC[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000089729806 620250639 /nfs/dbraw/zinc/25/06/39/620250639.db2.gz NNYRXSYLIRZPLQ-QDLOVBKTSA-N 1 0 265.372 3.329 50 0 CGAARO C1=C/C(=C2/NN=C(SCCCc3ccccc3)O2)[NH+]=C1 ZINC000105270538 638168927 /nfs/dbraw/zinc/16/89/27/638168927.db2.gz NWYQHBODLGNQJF-BUHFOSPRSA-N 1 0 285.372 3.053 50 0 CGAARO CC[NH+](CC)[C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000127320364 638243671 /nfs/dbraw/zinc/24/36/71/638243671.db2.gz CECYVNPASBNQNW-HNNXBMFYSA-N 1 0 272.392 3.349 50 0 CGAARO O=C(OC/C=C/c1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000095946236 640817256 /nfs/dbraw/zinc/81/72/56/640817256.db2.gz QGXKAYRFAANWSU-RCMYXZNBSA-N 1 0 285.387 3.117 50 0 CGAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2Cl)C1 ZINC000019853619 641038629 /nfs/dbraw/zinc/03/86/29/641038629.db2.gz BSGKDIVDTCEBLL-KRWDZBQOSA-N 1 0 287.790 3.434 50 0 CGAARO Cc1cccc(CC[N@@H+](C)C[C@H](O)c2ccccc2)c1 ZINC000020110096 641040257 /nfs/dbraw/zinc/04/02/57/641040257.db2.gz GYOOEFAGIAORMX-SFHVURJKSA-N 1 0 269.388 3.203 50 0 CGAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)N(C)C)s1 ZINC000023339552 798838602 /nfs/dbraw/zinc/83/86/02/798838602.db2.gz QRQWKHWLQJVJQX-GFCCVEGCSA-N 1 0 280.437 3.243 50 0 CGAARO Cc1cc(C)cc(OCCCCC[NH+]2CCOCC2)c1 ZINC000023549853 798838725 /nfs/dbraw/zinc/83/87/25/798838725.db2.gz FEOHXICNCXIZII-UHFFFAOYSA-N 1 0 277.408 3.185 50 0 CGAARO CO[C@H]1CCC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000581803606 799674441 /nfs/dbraw/zinc/67/44/41/799674441.db2.gz OHLSSWALGLSKCX-AWEZNQCLSA-N 1 0 265.422 3.448 50 0 CGAARO Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1cccc(C)c1 ZINC000581813087 799674988 /nfs/dbraw/zinc/67/49/88/799674988.db2.gz XWNRKQATFVACFF-UHFFFAOYSA-N 1 0 297.402 3.197 50 0 CGAARO C[C@H]([NH2+]C/C=C/c1ccccn1)[C@H](c1ccccc1)N(C)C ZINC000585117742 799678111 /nfs/dbraw/zinc/67/81/11/799678111.db2.gz VKOHGPOPNOWCOS-JLICCYLKSA-N 1 0 295.430 3.376 50 0 CGAARO Cc1ncsc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000585093627 799678144 /nfs/dbraw/zinc/67/81/44/799678144.db2.gz PJXNLNYCZUQSAL-HIFRSBDPSA-N 1 0 287.432 3.348 50 0 CGAARO Cc1c(C[N@H+](C)C[C@@H]2CCOC2)[nH]c2ccc(F)cc12 ZINC000823701063 800468711 /nfs/dbraw/zinc/46/87/11/800468711.db2.gz CWPHPTHXSHQLHP-LBPRGKRZSA-N 1 0 276.355 3.084 50 0 CGAARO Cc1ccc(NCCC[NH2+]C/C=C/c2ccccc2)nc1 ZINC000952872299 800686425 /nfs/dbraw/zinc/68/64/25/800686425.db2.gz NLJRAZYTWMXUFH-WEVVVXLNSA-N 1 0 281.403 3.495 50 0 CGAARO C[C@H](c1cccc(-c2nccnc2C#N)c1)[NH+]1CCCC1 ZINC000032534878 927575858 /nfs/dbraw/zinc/57/58/58/927575858.db2.gz MHTACQMORSYPNG-CYBMUJFWSA-N 1 0 278.359 3.172 50 0 CGAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001506404291 937989510 /nfs/dbraw/zinc/98/95/10/937989510.db2.gz CCHCOZNVCAACGU-CQSZACIVSA-N 1 0 276.424 3.086 50 0 CGAARO Cc1cnccc1C[N@@H+](C)C1CCN(Cc2ccco2)CC1 ZINC001506401203 937989696 /nfs/dbraw/zinc/98/96/96/937989696.db2.gz POEXSMVKNPQESN-UHFFFAOYSA-N 1 0 299.418 3.079 50 0 CGAARO C[NH+](C)C[C@@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1 ZINC001506400326 937989730 /nfs/dbraw/zinc/98/97/30/937989730.db2.gz DOWVKRGDFGDVGS-LBPRGKRZSA-N 1 0 289.810 3.276 50 0 CGAARO C[C@@H](C[NH+]1CCCCCC1)NCc1nc2ccccc2o1 ZINC001506406457 937989940 /nfs/dbraw/zinc/98/99/40/937989940.db2.gz IYHLDTIGRNHIIO-AWEZNQCLSA-N 1 0 287.407 3.182 50 0 CGAARO c1ccc(N2CC[C@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2)cc1 ZINC001506422757 937990192 /nfs/dbraw/zinc/99/01/92/937990192.db2.gz DIXNATNNGZLUIE-JZXOWHBKSA-N 1 0 268.404 3.163 50 0 CGAARO Cc1cc(C[N@@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)ccc1F ZINC001529153481 938071295 /nfs/dbraw/zinc/07/12/95/938071295.db2.gz CHKVCRMTVYOEJC-GEEKYZPCSA-N 1 0 277.383 3.115 50 0 CGAARO C[C@@H](CCCC[NH+](C)C)Nc1cccc(-c2nc[nH]n2)c1 ZINC000095945466 185038125 /nfs/dbraw/zinc/03/81/25/185038125.db2.gz JBPKPKMLKOJTAK-ZDUSSCGKSA-N 1 0 287.411 3.004 50 0 CGAARO CSC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000095968287 185046586 /nfs/dbraw/zinc/04/65/86/185046586.db2.gz CYNSCETXJPJUCK-GWCFXTLKSA-N 1 0 273.829 3.105 50 0 CGAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccsc2)C1 ZINC000095969015 185047645 /nfs/dbraw/zinc/04/76/45/185047645.db2.gz TWDBTBOCGPYXIA-FIIQBIKZSA-N 1 0 299.505 3.349 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)/C=C/c1ccc(C)o1 ZINC000095971513 185048620 /nfs/dbraw/zinc/04/86/20/185048620.db2.gz MJBGEFGRDOKAAZ-ZHACJKMWSA-N 1 0 284.359 3.349 50 0 CGAARO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cccs1 ZINC000095978211 185052050 /nfs/dbraw/zinc/05/20/50/185052050.db2.gz NLGAIOBRWHQNBL-ZYHUDNBSSA-N 1 0 267.419 3.411 50 0 CGAARO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000095984344 185055615 /nfs/dbraw/zinc/05/56/15/185055615.db2.gz NJXBHDMKGUZGOU-HOTGVXAUSA-N 1 0 288.778 3.355 50 0 CGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2Cc2ncc[nH]2)cc1 ZINC000065385492 282148358 /nfs/dbraw/zinc/14/83/58/282148358.db2.gz BAPSQPFFIJZIKY-KRWDZBQOSA-N 1 0 298.434 3.199 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000040449155 344962525 /nfs/dbraw/zinc/96/25/25/344962525.db2.gz DXORHDLHFIBRBN-ZIAGYGMSSA-N 1 0 282.428 3.355 50 0 CGAARO COc1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)nn1C ZINC000072253669 345407219 /nfs/dbraw/zinc/40/72/19/345407219.db2.gz TUQRUSOCTWROSQ-HNNXBMFYSA-N 1 0 285.391 3.074 50 0 CGAARO C[S@](=O)CC[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000072286925 345408398 /nfs/dbraw/zinc/40/83/98/345408398.db2.gz LIWFWXRBPUYRTL-LJQANCHMSA-N 1 0 297.420 3.022 50 0 CGAARO Cn1cccc1C[NH2+][C@H]1CCCc2c1cnn2C(C)(C)C ZINC000072291867 345408812 /nfs/dbraw/zinc/40/88/12/345408812.db2.gz QTNQKHRGGYLCOO-HNNXBMFYSA-N 1 0 286.423 3.144 50 0 CGAARO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C)c(F)c1 ZINC000075107643 345495417 /nfs/dbraw/zinc/49/54/17/345495417.db2.gz MLFJFBXZYLFJST-CYBMUJFWSA-N 1 0 293.386 3.130 50 0 CGAARO COc1ccccc1CNCCC[NH2+]C1CCCCC1 ZINC000075108024 345495570 /nfs/dbraw/zinc/49/55/70/345495570.db2.gz COOBTHCHJAIEKE-UHFFFAOYSA-N 1 0 276.424 3.097 50 0 CGAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000075133699 345496116 /nfs/dbraw/zinc/49/61/16/345496116.db2.gz WUXAOXWZYNPWBE-XYCCBJPKSA-N 1 0 298.430 3.175 50 0 CGAARO CCn1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000093335563 345875967 /nfs/dbraw/zinc/87/59/67/345875967.db2.gz JZSXFZUEZGOIJB-HNNXBMFYSA-N 1 0 273.355 3.032 50 0 CGAARO C[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H](O)c1ccc(O)cc1 ZINC000095918189 345900779 /nfs/dbraw/zinc/90/07/79/345900779.db2.gz WMXAWRKOHYXEQB-LBTNJELSSA-N 1 0 285.387 3.035 50 0 CGAARO CCCC[NH2+]C[C@H]1COc2c(Cl)ccc(C)c2C1=O ZINC000096026869 345901909 /nfs/dbraw/zinc/90/19/09/345901909.db2.gz FRVZGBFVDGWNRB-NSHDSACASA-N 1 0 281.783 3.229 50 0 CGAARO CCOC(=O)NCCCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000096027365 345901915 /nfs/dbraw/zinc/90/19/15/345901915.db2.gz RUCSHZZSHWNIGN-ZIAGYGMSSA-N 1 0 270.417 3.166 50 0 CGAARO CCCCC[N@H+](C)CCOc1ccccc1[C@H](C)O ZINC000096026670 345902033 /nfs/dbraw/zinc/90/20/33/345902033.db2.gz GICNBUWVPAIORK-AWEZNQCLSA-N 1 0 265.397 3.241 50 0 CGAARO c1coc([C@@H]2CCC[N@H+]2CCOc2ccccc2)c1 ZINC000116295852 345976920 /nfs/dbraw/zinc/97/69/20/345976920.db2.gz IXUNQNHMPCXQMC-HNNXBMFYSA-N 1 0 257.333 3.496 50 0 CGAARO C[C@H]1CC([NH2+]CCCCn2ccccc2=O)C[C@H](C)C1 ZINC000127375240 346030647 /nfs/dbraw/zinc/03/06/47/346030647.db2.gz AIDDSIPBADMCBK-HUUCEWRRSA-N 1 0 276.424 3.043 50 0 CGAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000127708595 346034083 /nfs/dbraw/zinc/03/40/83/346034083.db2.gz PPZRJXYNGINODQ-NDBYEHHHSA-N 1 0 279.346 3.248 50 0 CGAARO CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000161957342 346177128 /nfs/dbraw/zinc/17/71/28/346177128.db2.gz YSAJLKRVWAIHRD-RPRQWQAVSA-N 1 0 291.819 3.287 50 0 CGAARO CCOc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000002576550 169812529 /nfs/dbraw/zinc/81/25/29/169812529.db2.gz KSAWFHIMDDBWSJ-UHFFFAOYSA-N 1 0 255.361 3.418 50 0 CGAARO CC(C)c1noc(CC[NH2+]C[C@H](C)c2ccccc2)n1 ZINC000194378710 346270424 /nfs/dbraw/zinc/27/04/24/346270424.db2.gz RVSRMJRLHIMSNF-ZDUSSCGKSA-N 1 0 273.380 3.129 50 0 CGAARO Cn1ccnc1CC[NH2+][C@H](c1ccco1)c1ccc(F)cc1 ZINC000195560629 346273658 /nfs/dbraw/zinc/27/36/58/346273658.db2.gz LSDLENRGRFHGLI-KRWDZBQOSA-N 1 0 299.349 3.074 50 0 CGAARO Cc1ccc2cc(C[N@H+]3C[C@@H](CO)CC[C@@H]3C)ccc2n1 ZINC000225477906 346304762 /nfs/dbraw/zinc/30/47/62/346304762.db2.gz LZWOLBONRBOICD-HOCLYGCPSA-N 1 0 284.403 3.136 50 0 CGAARO Fc1cc(F)cc(C2([NH2+][C@H]3CCSC3)CC2)c1 ZINC000584892184 346722120 /nfs/dbraw/zinc/72/21/20/346722120.db2.gz KZPGYOZQFUCNFT-LBPRGKRZSA-N 1 0 255.333 3.049 50 0 CGAARO Clc1ccc2[nH]c(CCC[NH2+][C@H]3CCSC3)nc2c1 ZINC000584890189 346722298 /nfs/dbraw/zinc/72/22/98/346722298.db2.gz FBOCYWMFKNUBLO-NSHDSACASA-N 1 0 295.839 3.244 50 0 CGAARO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccncc2)cc1 ZINC000095984343 282513875 /nfs/dbraw/zinc/51/38/75/282513875.db2.gz NJXBHDMKGUZGOU-JKSUJKDBSA-N 1 0 288.778 3.355 50 0 CGAARO c1ccc(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000328592701 201948534 /nfs/dbraw/zinc/94/85/34/201948534.db2.gz BJGIUIJVYKIXKU-QLFBSQMISA-N 1 0 279.474 3.198 50 0 CGAARO COc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)cc1 ZINC000105434863 186056478 /nfs/dbraw/zinc/05/64/78/186056478.db2.gz LXIRPNSJQFMUHX-UHFFFAOYSA-N 1 0 270.376 3.051 50 0 CGAARO CCC[C@@]1(CO)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000091876429 180278759 /nfs/dbraw/zinc/27/87/59/180278759.db2.gz KVDKWHDXCHJZTR-GFCCVEGCSA-N 1 0 267.335 3.204 50 0 CGAARO CC1(C)C[N@H+](Cc2ccccc2OC(F)F)CC[C@]1(C)O ZINC000092096775 180323725 /nfs/dbraw/zinc/32/37/25/180323725.db2.gz GXJJKNBRBOIEBD-INIZCTEOSA-N 1 0 299.361 3.271 50 0 CGAARO C[C@H]1C[NH+](Cc2ccc(N3CCCC3)nc2)C[C@H](C)S1 ZINC000092540668 180402651 /nfs/dbraw/zinc/40/26/51/180402651.db2.gz DBOHCLYFDDABPE-KBPBESRZSA-N 1 0 291.464 3.008 50 0 CGAARO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000123001437 187064847 /nfs/dbraw/zinc/06/48/47/187064847.db2.gz NCWNYHZOWQYNCF-CYBMUJFWSA-N 1 0 261.394 3.090 50 0 CGAARO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000341982588 216176550 /nfs/dbraw/zinc/17/65/50/216176550.db2.gz AZGSZXCAUDKWKS-GOSISDBHSA-N 1 0 289.419 3.185 50 0 CGAARO COc1ccc([C@@H]2CCC[N@@H+]2CCCn2ccnc2)cc1 ZINC000182622699 189329081 /nfs/dbraw/zinc/32/90/81/189329081.db2.gz IKLAFDLEPHCFIB-KRWDZBQOSA-N 1 0 285.391 3.119 50 0 CGAARO COc1ccc([C@H]2CCC[N@@H+]2CCCn2ccnc2)cc1 ZINC000182622719 189329185 /nfs/dbraw/zinc/32/91/85/189329185.db2.gz IKLAFDLEPHCFIB-QGZVFWFLSA-N 1 0 285.391 3.119 50 0 CGAARO [NH3+][C@@H]1CCN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000215137471 189692033 /nfs/dbraw/zinc/69/20/33/189692033.db2.gz XSIZVYTWMKGALP-GFCCVEGCSA-N 1 0 280.437 3.237 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000242389507 299365119 /nfs/dbraw/zinc/36/51/19/299365119.db2.gz ZXTJZFVDUSQHNH-NILFDRSVSA-N 1 0 294.826 3.425 50 0 CGAARO CC[n+]1ccc(/C=C/c2cccc(OC)c2OC)cc1 ZINC000000044030 368277360 /nfs/dbraw/zinc/27/73/60/368277360.db2.gz IIDHHRMSFWZUTO-CMDGGOBGSA-N 1 0 270.352 3.182 50 0 CGAARO Cc1cccc(C)c1NC(=O)CC[NH+]1CCCCC1 ZINC000000073698 368283278 /nfs/dbraw/zinc/28/32/78/368283278.db2.gz COOLNBQEJZMUGU-UHFFFAOYSA-N 1 0 260.381 3.118 50 0 CGAARO c1cc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc2c1OCO2 ZINC000000172180 368308127 /nfs/dbraw/zinc/30/81/27/368308127.db2.gz DZTGASJFTSWFHT-UHFFFAOYSA-N 1 0 299.414 3.372 50 0 CGAARO COc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1O ZINC000000189597 368312085 /nfs/dbraw/zinc/31/20/85/368312085.db2.gz RTCKOLLOWGYZCT-KRWDZBQOSA-N 1 0 294.354 3.117 50 0 biogenic CGAARO Cc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000195308 368312353 /nfs/dbraw/zinc/31/23/53/368312353.db2.gz CTOSAFSGMPWCEW-UHFFFAOYSA-N 1 0 274.408 3.034 50 0 CGAARO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C)cc1OC ZINC000000263242 368328061 /nfs/dbraw/zinc/32/80/61/368328061.db2.gz KYBPMCAXERXFFP-HIFRSBDPSA-N 1 0 277.408 3.415 50 0 CGAARO COc1ccc(C[NH+]2CCSCC2)c2ccccc12 ZINC000000278986 368331815 /nfs/dbraw/zinc/33/18/15/368331815.db2.gz RPPIZUXXJMTUSV-UHFFFAOYSA-N 1 0 273.401 3.397 50 0 CGAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000000278682 368331992 /nfs/dbraw/zinc/33/19/92/368331992.db2.gz CZZQODMVFFVTMN-UHFFFAOYSA-N 1 0 275.779 3.335 50 0 CGAARO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000000285865 368333043 /nfs/dbraw/zinc/33/30/43/368333043.db2.gz RBOORHPKICAWDS-INIZCTEOSA-N 1 0 277.408 3.036 50 0 CGAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000000350528 368345708 /nfs/dbraw/zinc/34/57/08/368345708.db2.gz WGGVSJLOKWPXEY-OAHLLOKOSA-N 1 0 297.826 3.120 50 0 CGAARO C[C@@H](C[NH+]1CCC(C)CC1)OC(=O)c1cccs1 ZINC000000808188 368395788 /nfs/dbraw/zinc/39/57/88/368395788.db2.gz TXRDBDWBHMVYCY-LBPRGKRZSA-N 1 0 267.394 3.025 50 0 CGAARO C[N@H+](CC1OCc2ccccc2CO1)C1CCCCC1 ZINC000000510265 368381224 /nfs/dbraw/zinc/38/12/24/368381224.db2.gz UWVVMIVOLMLYNU-UHFFFAOYSA-N 1 0 275.392 3.324 50 0 CGAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000000758894 368394848 /nfs/dbraw/zinc/39/48/48/368394848.db2.gz BFQCMDCVDDESNJ-CABCVRRESA-N 1 0 267.800 3.430 50 0 CGAARO CC1CCC([NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000001458498 368415070 /nfs/dbraw/zinc/41/50/70/368415070.db2.gz DIKZSWADIHRQBQ-HPZPOOBXSA-N 1 0 294.483 3.139 50 0 CGAARO c1ccc(CCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000002734803 368473461 /nfs/dbraw/zinc/47/34/61/368473461.db2.gz ZYRFBJKAZWWPCP-UHFFFAOYSA-N 1 0 272.436 3.179 50 0 CGAARO CCC[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CC1 ZINC000002765306 368476799 /nfs/dbraw/zinc/47/67/99/368476799.db2.gz CWVQBRWOZQDXFE-UHFFFAOYSA-N 1 0 278.371 3.276 50 0 CGAARO CCc1ccc(NC(=S)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000003287353 368500009 /nfs/dbraw/zinc/50/00/09/368500009.db2.gz ZJXZVKDVSFKOBI-OAHLLOKOSA-N 1 0 291.464 3.020 50 0 CGAARO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc2c1 ZINC000004160549 368533535 /nfs/dbraw/zinc/53/35/35/368533535.db2.gz AHNXSFJSKWMDIY-UHFFFAOYSA-N 1 0 284.384 3.188 50 0 CGAARO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000004670133 368555423 /nfs/dbraw/zinc/55/54/23/368555423.db2.gz HWCQHJXCSZEFPW-UHFFFAOYSA-N 1 0 283.371 3.462 50 0 CGAARO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320509 368543902 /nfs/dbraw/zinc/54/39/02/368543902.db2.gz HHPXYCVBIPXNRJ-AAJLLMFJSA-N 1 0 295.467 3.111 50 0 CGAARO [NH2+]=C1Nc2ccccc2C12C1CC3CC(C1)CC2C3 ZINC000004489361 368547055 /nfs/dbraw/zinc/54/70/55/368547055.db2.gz YGNPRZCOWVVYFD-UHFFFAOYSA-N 1 0 252.361 3.383 50 0 CGAARO C[C@H]1C(c2cccs2)[N+](=O)[C@@](C)(c2ccccc2)N1O ZINC000007813399 368571340 /nfs/dbraw/zinc/57/13/40/368571340.db2.gz HVJKNDUEEXRYII-NHYWBVRUSA-N 1 0 288.372 3.014 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000011617113 368593063 /nfs/dbraw/zinc/59/30/63/368593063.db2.gz URMJPEDTGXJUMD-QXSJWSMHSA-N 1 0 285.472 3.213 50 0 CGAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC000005723366 368564666 /nfs/dbraw/zinc/56/46/66/368564666.db2.gz QEQPVXMSEFTRIW-SWLSCSKDSA-N 1 0 275.392 3.251 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000012382528 368610888 /nfs/dbraw/zinc/61/08/88/368610888.db2.gz JZKZVOVSEKFHPH-UHFFFAOYSA-N 1 0 298.789 3.082 50 0 CGAARO CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000015553904 368697212 /nfs/dbraw/zinc/69/72/12/368697212.db2.gz GKYFQFVDWGQIFW-UHFFFAOYSA-N 1 0 293.386 3.068 50 0 CGAARO Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247462 368709839 /nfs/dbraw/zinc/70/98/39/368709839.db2.gz SDNGLFJQUUNUGS-IYBDPMFKSA-N 1 0 277.408 3.182 50 0 CGAARO CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016606437 368717007 /nfs/dbraw/zinc/71/70/07/368717007.db2.gz DPRGHYFUHGJSQE-UHFFFAOYSA-N 1 0 294.826 3.078 50 0 CGAARO O=C(NCC[NH+]1CCCCC1)c1csc2ccccc12 ZINC000016604552 368717557 /nfs/dbraw/zinc/71/75/57/368717557.db2.gz ZOVFWTAFEPROIA-UHFFFAOYSA-N 1 0 288.416 3.117 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000018940166 368742538 /nfs/dbraw/zinc/74/25/38/368742538.db2.gz IZKGOEUYPUKABW-UHFFFAOYSA-N 1 0 268.788 3.365 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1cccc(Br)c1 ZINC000019637460 368760411 /nfs/dbraw/zinc/76/04/11/368760411.db2.gz GQRPVLLUGVMGQY-UHFFFAOYSA-N 1 0 299.256 3.223 50 0 CGAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000023280712 368818360 /nfs/dbraw/zinc/81/83/60/368818360.db2.gz RQZYSOXLIQYOMC-BXUZGUMPSA-N 1 0 287.325 3.093 50 0 CGAARO COc1cc(C[NH2+]C2CCC(C)CC2)cc(OC)c1 ZINC000019918047 368783424 /nfs/dbraw/zinc/78/34/24/368783424.db2.gz JVQSVRPYPHJCDS-UHFFFAOYSA-N 1 0 263.381 3.372 50 0 CGAARO [NH3+][C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000019972333 368792135 /nfs/dbraw/zinc/79/21/35/368792135.db2.gz UXJHXOOPEBTWIY-GFCCVEGCSA-N 1 0 252.239 3.149 50 0 CGAARO CCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027990390 368879204 /nfs/dbraw/zinc/87/92/04/368879204.db2.gz XKTGUMAXEJALMC-KRWDZBQOSA-N 1 0 288.435 3.438 50 0 CGAARO CC[NH+](CC)C[C@@H](O)Cn1c(C)c(C)c2cc(C)ccc21 ZINC000028297043 368885372 /nfs/dbraw/zinc/88/53/72/368885372.db2.gz VCOYTBLLHDKGDQ-MRXNPFEDSA-N 1 0 288.435 3.269 50 0 CGAARO Clc1cccc(COCC[C@H]2CCCC[NH2+]2)c1 ZINC000028522177 368886784 /nfs/dbraw/zinc/88/67/84/368886784.db2.gz OZNDYBGWULJTOM-CQSZACIVSA-N 1 0 253.773 3.389 50 0 CGAARO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925574 368890478 /nfs/dbraw/zinc/89/04/78/368890478.db2.gz HYJOZYBERYABLN-CYBMUJFWSA-N 1 0 295.386 3.281 50 0 CGAARO Cc1[nH+]c2cc(N)ccc2n1CCc1ccccc1 ZINC000030769354 368905988 /nfs/dbraw/zinc/90/59/88/368905988.db2.gz SEYHYASJHRKZTJ-UHFFFAOYSA-N 1 0 251.333 3.170 50 0 CGAARO C([NH2+][C@H]1CCCN(CC2CCCCC2)C1)C1CC1 ZINC000032537386 368934828 /nfs/dbraw/zinc/93/48/28/368934828.db2.gz RAJCJEZPONMBKK-INIZCTEOSA-N 1 0 250.430 3.031 50 0 CGAARO CCCC[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000032551009 368935998 /nfs/dbraw/zinc/93/59/98/368935998.db2.gz DJAQQGSUEOJESA-HOCLYGCPSA-N 1 0 279.424 3.157 50 0 CGAARO [NH3+][C@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1 ZINC000033427051 368965581 /nfs/dbraw/zinc/96/55/81/368965581.db2.gz SGWBRVIWOWPQCE-ZDUSSCGKSA-N 1 0 254.333 3.016 50 0 CGAARO CCCc1ccc(OCCC2CC[NH2+]CC2)c(OC)c1 ZINC000042773754 369232284 /nfs/dbraw/zinc/23/22/84/369232284.db2.gz AINOXHBGNBSMSQ-UHFFFAOYSA-N 1 0 277.408 3.416 50 0 CGAARO CCc1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774375 369232396 /nfs/dbraw/zinc/23/23/96/369232396.db2.gz LHOLFSMTRJVQKW-LBPRGKRZSA-N 1 0 284.197 3.142 50 0 CGAARO Cc1cc(C)c(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042774962 369232459 /nfs/dbraw/zinc/23/24/59/369232459.db2.gz XPKNDQIBDZRFHM-LBPRGKRZSA-N 1 0 253.773 3.335 50 0 CGAARO Cc1ccc(Cl)c(OCCC2CC[NH2+]CC2)c1 ZINC000042772361 369230680 /nfs/dbraw/zinc/23/06/80/369230680.db2.gz DRXWLJNKSFZPFC-UHFFFAOYSA-N 1 0 253.773 3.417 50 0 CGAARO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCCO1 ZINC000042977610 369239791 /nfs/dbraw/zinc/23/97/91/369239791.db2.gz FEMIPMHMOIFTSM-AWEZNQCLSA-N 1 0 285.334 3.289 50 0 CGAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCCCC1 ZINC000057303689 369534062 /nfs/dbraw/zinc/53/40/62/369534062.db2.gz ARYGJMRFZLJRIC-CYBMUJFWSA-N 1 0 285.391 3.250 50 0 CGAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(C)cc1 ZINC000057463260 369537753 /nfs/dbraw/zinc/53/77/53/369537753.db2.gz HRLPPQJLPKZYTD-AEFFLSMTSA-N 1 0 283.371 3.153 50 0 CGAARO COc1ccccc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC000055543041 369518824 /nfs/dbraw/zinc/51/88/24/369518824.db2.gz SBCTUVNKYRUSPV-UHFFFAOYSA-N 1 0 296.414 3.326 50 0 CGAARO FC(F)(F)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000055543031 369518906 /nfs/dbraw/zinc/51/89/06/369518906.db2.gz JTTZAZJOYHYFQY-UHFFFAOYSA-N 1 0 261.312 3.254 50 0 CGAARO CCOC(=O)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058159350 369555023 /nfs/dbraw/zinc/55/50/23/369555023.db2.gz DNPYSLKFAXWIBU-UHFFFAOYSA-N 1 0 289.419 3.284 50 0 CGAARO CSCc1noc(C[NH2+][C@H](C)CCc2ccccc2)n1 ZINC000065384702 369670345 /nfs/dbraw/zinc/67/03/45/369670345.db2.gz YHWKQWUFUGPVDD-GFCCVEGCSA-N 1 0 291.420 3.044 50 0 CGAARO CCc1nc(C)c(C[N@H+](C)Cc2cccc3cnccc32)[nH]1 ZINC000065428065 369675047 /nfs/dbraw/zinc/67/50/47/369675047.db2.gz FHLUOAXNXQIMRS-UHFFFAOYSA-N 1 0 294.402 3.461 50 0 CGAARO CCc1nccn1CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000065420792 369675090 /nfs/dbraw/zinc/67/50/90/369675090.db2.gz XNDLNXFTXZFZGY-AWEZNQCLSA-N 1 0 263.429 3.394 50 0 CGAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccc2ccccc2n1 ZINC000065469078 369677031 /nfs/dbraw/zinc/67/70/31/369677031.db2.gz WDRAHSJUTRRJBO-UHFFFAOYSA-N 1 0 294.402 3.379 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000065475260 369678767 /nfs/dbraw/zinc/67/87/67/369678767.db2.gz DEZHRQZAPPXSIR-INIZCTEOSA-N 1 0 284.359 3.138 50 0 CGAARO c1cc(-c2ccc(-c3ccc4c(c3)C[NH2+]CC4)cc2)n[nH]1 ZINC000067975538 369738769 /nfs/dbraw/zinc/73/87/69/369738769.db2.gz GKTSMDYVWWQEOY-UHFFFAOYSA-N 1 0 275.355 3.389 50 0 CGAARO CC(C)(C)CC(C)(C)[NH2+]Cc1nc(-c2cccnc2)no1 ZINC000069351060 369756421 /nfs/dbraw/zinc/75/64/21/369756421.db2.gz YYOIEOBREOHQOZ-UHFFFAOYSA-N 1 0 288.395 3.436 50 0 CGAARO COc1ccc2ccccc2c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000069286918 369756803 /nfs/dbraw/zinc/75/68/03/369756803.db2.gz ROEOZYGKXYXQPX-HNNXBMFYSA-N 1 0 296.414 3.175 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000069383553 369757529 /nfs/dbraw/zinc/75/75/29/369757529.db2.gz MFXJJHRZTYSHMJ-CQSZACIVSA-N 1 0 274.339 3.420 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc3ccccc3o2)c1 ZINC000069560292 369763819 /nfs/dbraw/zinc/76/38/19/369763819.db2.gz ACGQBHYESZBBFN-CYBMUJFWSA-N 1 0 269.348 3.116 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000069588135 369764419 /nfs/dbraw/zinc/76/44/19/369764419.db2.gz OWAIIRRCFFIFEC-CABCVRRESA-N 1 0 292.810 3.039 50 0 CGAARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000069703413 369767661 /nfs/dbraw/zinc/76/76/61/369767661.db2.gz PHSYIYILYOJWGI-BLLLJJGKSA-N 1 0 288.366 3.109 50 0 CGAARO CCc1csc(CN[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000067741925 369727401 /nfs/dbraw/zinc/72/74/01/369727401.db2.gz RWJMMTOJBPZRLM-CYBMUJFWSA-N 1 0 281.469 3.060 50 0 CGAARO CSCC[C@@H](C)[NH2+]CCc1nc2c(cccc2C)[nH]1 ZINC000067786533 369728880 /nfs/dbraw/zinc/72/88/80/369728880.db2.gz QHKZTUQLCAEFCL-GFCCVEGCSA-N 1 0 277.437 3.145 50 0 CGAARO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccncc2)c1 ZINC000067803619 369730143 /nfs/dbraw/zinc/73/01/43/369730143.db2.gz XLWHDRAJRGOFRS-CYBMUJFWSA-N 1 0 284.359 3.061 50 0 CGAARO CCn1nc(C)c(C[NH2+][C@H](C)Cc2cccc(F)c2)c1C ZINC000067821610 369731606 /nfs/dbraw/zinc/73/16/06/369731606.db2.gz VQQADPSAVMJJEB-GFCCVEGCSA-N 1 0 289.398 3.380 50 0 CGAARO Cc1cc(C[NH+]2CCCC2)cc(Oc2ccc(C)nn2)c1 ZINC000067869350 369734296 /nfs/dbraw/zinc/73/42/96/369734296.db2.gz HTKQTHVHMUDDEG-UHFFFAOYSA-N 1 0 283.375 3.482 50 0 CGAARO CC[NH+](CC)[C@@H](C)CNC(=O)c1sccc1C1CC1 ZINC000070009225 369776654 /nfs/dbraw/zinc/77/66/54/369776654.db2.gz QSILFEMHAPUWQP-NSHDSACASA-N 1 0 280.437 3.086 50 0 CGAARO Cc1ccc(O)c(C[NH2+]C[C@H](C)c2nc3ccccc3o2)n1 ZINC000078975486 369957453 /nfs/dbraw/zinc/95/74/53/369957453.db2.gz QKEYSCRJKYLQSE-NSHDSACASA-N 1 0 297.358 3.130 50 0 CGAARO c1ccc(CC2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000079109559 369964724 /nfs/dbraw/zinc/96/47/24/369964724.db2.gz ZXQNTKZNDMHIJK-SFHVURJKSA-N 1 0 273.420 3.368 50 0 CGAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1 ZINC000075568124 369913922 /nfs/dbraw/zinc/91/39/22/369913922.db2.gz HIZBBGKTPFWAAG-CQSZACIVSA-N 1 0 268.360 3.194 50 0 CGAARO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000075738317 369916910 /nfs/dbraw/zinc/91/69/10/369916910.db2.gz UAZITUQQRCDWGP-WBVHZDCISA-N 1 0 286.419 3.143 50 0 CGAARO c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ccn1 ZINC000075831784 369919605 /nfs/dbraw/zinc/91/96/05/369919605.db2.gz AMLTVSDYDTTXLI-INIZCTEOSA-N 1 0 260.381 3.005 50 0 CGAARO COc1cccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)c1 ZINC000084656249 370015059 /nfs/dbraw/zinc/01/50/59/370015059.db2.gz IJFJBMRKUIKOQX-CQSZACIVSA-N 1 0 295.386 3.396 50 0 CGAARO c1c[nH]c([C@@H]2CCCC[N@H+]2CCc2ccc3c(c2)CCO3)n1 ZINC000089806930 370047721 /nfs/dbraw/zinc/04/77/21/370047721.db2.gz 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Cc1cc(-c2cccc(F)c2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000242547879 189905575 /nfs/dbraw/zinc/90/55/75/189905575.db2.gz KXJVFBQDDGBNEW-ZDUSSCGKSA-N 1 0 271.339 3.058 50 0 CGAARO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCC1 ZINC000177899382 373722627 /nfs/dbraw/zinc/72/26/27/373722627.db2.gz XJALHZGJDDVIEN-AWEZNQCLSA-N 1 0 286.419 3.087 50 0 CGAARO FC1(F)CC([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000277747590 193747201 /nfs/dbraw/zinc/74/72/01/193747201.db2.gz VVPRACGLSOVITB-UHFFFAOYSA-N 1 0 280.362 3.038 50 0 CGAARO Cc1cnc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cn1 ZINC000334213489 206200704 /nfs/dbraw/zinc/20/07/04/206200704.db2.gz SFQLLULCEMLRTO-AWEZNQCLSA-N 1 0 287.794 3.428 50 0 CGAARO Cc1ccccc1Cn1c[n+](Cc2cccc(Cl)c2)cn1 ZINC000252510031 189979930 /nfs/dbraw/zinc/97/99/30/189979930.db2.gz ZALKGWPOCJKEHX-UHFFFAOYSA-N 1 0 298.797 3.229 50 0 CGAARO Fc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000189078516 375320304 /nfs/dbraw/zinc/32/03/04/375320304.db2.gz AGRGFGROBYSQKJ-AWEZNQCLSA-N 1 0 269.747 3.092 50 0 CGAARO Cc1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000215029281 376144982 /nfs/dbraw/zinc/14/49/82/376144982.db2.gz IGAHGSSSHZDXLW-UHFFFAOYSA-N 1 0 270.376 3.002 50 0 CGAARO CCN(Cc1cc(C[NH+](C)C)cs1)Cc1cccnc1 ZINC000215838663 376152490 /nfs/dbraw/zinc/15/24/90/376152490.db2.gz XNOFLWJVBWSAPJ-UHFFFAOYSA-N 1 0 289.448 3.227 50 0 CGAARO CN(Cc1ccoc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000216330344 376161231 /nfs/dbraw/zinc/16/12/31/376161231.db2.gz OYXGPYSYINMCAP-KRWDZBQOSA-N 1 0 298.386 3.019 50 0 CGAARO Cc1cc(C)n([C@H]2CCN(Cc3coc(C(C)C)n3)C2)n1 ZINC000216371473 376163321 /nfs/dbraw/zinc/16/33/21/376163321.db2.gz UNQQJYBZULBSAH-HNNXBMFYSA-N 1 0 288.395 3.058 50 0 CGAARO FC(F)(F)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc1 ZINC000225589848 376316494 /nfs/dbraw/zinc/31/64/94/376316494.db2.gz UTJOJGVUVOBKAE-LBPRGKRZSA-N 1 0 299.340 3.023 50 0 CGAARO CC(C)=CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000236730727 376688375 /nfs/dbraw/zinc/68/83/75/376688375.db2.gz XYIDJUSUDRQYRQ-UHFFFAOYSA-N 1 0 263.356 3.387 50 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297.443 3.008 50 0 CGAARO COCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007524870 170288984 /nfs/dbraw/zinc/28/89/84/170288984.db2.gz PWHLQOVKTKUIMO-UHFFFAOYSA-N 1 0 265.740 3.336 50 0 CGAARO Cc1ccc(C)c2c(=O)c(C[NH+]3CCCC3)c(C)[nH]c12 ZINC000008717475 170349290 /nfs/dbraw/zinc/34/92/90/170349290.db2.gz BQZWQHMWENYCJT-UHFFFAOYSA-N 1 0 270.376 3.461 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1 ZINC000009482447 170378396 /nfs/dbraw/zinc/37/83/96/170378396.db2.gz KFAHOWZDCJPYIV-GOEBONIOSA-N 1 0 291.366 3.247 50 0 CGAARO Clc1ccc(CSC2=NN/C(=C3\C=CC=[NH+]3)O2)cc1 ZINC000009582352 170381956 /nfs/dbraw/zinc/38/19/56/170381956.db2.gz VHODHLMPJIXURY-QXMHVHEDSA-N 1 0 291.763 3.274 50 0 CGAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000009721552 170384990 /nfs/dbraw/zinc/38/49/90/170384990.db2.gz RWUDPMBCPAQUSM-UHFFFAOYSA-N 1 0 284.787 3.065 50 0 CGAARO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1F)[NH+](C)C ZINC000012774732 170509639 /nfs/dbraw/zinc/50/96/39/170509639.db2.gz 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/nfs/dbraw/zinc/25/97/74/176259774.db2.gz AWEJHNDRRXICKX-UHFFFAOYSA-N 1 0 261.413 3.417 50 0 CGAARO CC[C@H]1CN(Cc2c(C)cc(O)cc2C)CC[N@@H+]1C(C)C ZINC000072146908 176326020 /nfs/dbraw/zinc/32/60/20/176326020.db2.gz WLRDPWMIWKDRSU-INIZCTEOSA-N 1 0 290.451 3.314 50 0 CGAARO C[N@@H+](Cc1csc(-c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000072164426 176331350 /nfs/dbraw/zinc/33/13/50/176331350.db2.gz OEWRVZNFJRQFSY-ZDUSSCGKSA-N 1 0 288.416 3.278 50 0 CGAARO Cc1cc(O)cc(C)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000072170333 176333191 /nfs/dbraw/zinc/33/31/91/176333191.db2.gz CMASAGJNHCNHHF-UHFFFAOYSA-N 1 0 289.419 3.402 50 0 CGAARO Cc1ncsc1CC[N@@H+](C)C[C@H]1CC=CCC1 ZINC000072408953 176398467 /nfs/dbraw/zinc/39/84/67/176398467.db2.gz PPAFZPNMKOXHTD-ZDUSSCGKSA-N 1 0 250.411 3.282 50 0 CGAARO O=C(c1ccccc1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000077338633 177253918 /nfs/dbraw/zinc/25/39/18/177253918.db2.gz FNJHIUQUIMBRIE-OAHLLOKOSA-N 1 0 266.344 3.181 50 0 CGAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000077375046 177260093 /nfs/dbraw/zinc/26/00/93/177260093.db2.gz PHDMUQLAFSVDQQ-OAHLLOKOSA-N 1 0 263.381 3.173 50 0 CGAARO c1oc(-c2ccccc2)nc1CC[NH2+]Cc1cccnc1 ZINC000078552456 177353354 /nfs/dbraw/zinc/35/33/54/177353354.db2.gz QLDFDHWZJQHNRH-UHFFFAOYSA-N 1 0 279.343 3.069 50 0 CGAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(F)cc1 ZINC000048707779 416458503 /nfs/dbraw/zinc/45/85/03/416458503.db2.gz GPVCRIAWOZJTEE-UHFFFAOYSA-N 1 0 261.344 3.136 50 0 CGAARO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000084148690 416495730 /nfs/dbraw/zinc/49/57/30/416495730.db2.gz HOYOIRFBMXNQLZ-KSSFIOAISA-N 1 0 285.387 3.388 50 0 CGAARO c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676723 543858100 /nfs/dbraw/zinc/85/81/00/543858100.db2.gz DTCOQFMHFPHCRR-CABCVRRESA-N 1 0 289.423 3.081 50 0 CGAARO CC(C)[C@@H](C[NH2+][C@@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711979 419073478 /nfs/dbraw/zinc/07/34/78/419073478.db2.gz KVFBSYQUUQQHDJ-IAGOWNOFSA-N 1 0 298.434 3.444 50 0 CGAARO O[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(OC3CC3)c2F)C1 ZINC000657373800 419263641 /nfs/dbraw/zinc/26/36/41/419263641.db2.gz CERDTKQDCQFLGQ-OCCSQVGLSA-N 1 0 293.382 3.008 50 0 CGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000375601 274485093 /nfs/dbraw/zinc/48/50/93/274485093.db2.gz KFNAROPLJSUYSK-GFCCVEGCSA-N 1 0 281.783 3.371 50 0 CGAARO CC(C)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831280 275570981 /nfs/dbraw/zinc/57/09/81/275570981.db2.gz RGGHXYVYMPBZOM-UHFFFAOYSA-N 1 0 284.407 3.307 50 0 CGAARO CC[N@@H+]1C[C@@H](O)Cn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000003999366 276243883 /nfs/dbraw/zinc/24/38/83/276243883.db2.gz MUYNQVXAZFNNQL-DYVFJYSZSA-N 1 0 284.403 3.024 50 0 biogenic CGAARO CC(C)(C)SCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000242288018 277223111 /nfs/dbraw/zinc/22/31/11/277223111.db2.gz YKLDEPQEAQKERY-CHWSQXEVSA-N 1 0 257.443 3.019 50 0 CGAARO CC1=C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1O ZINC000013115804 278492093 /nfs/dbraw/zinc/49/20/93/278492093.db2.gz MBWGMYHCWDUCKB-UHFFFAOYSA-N 1 0 253.709 3.248 50 0 CGAARO Cc1cccc2cc(C[NH2+]C3CCCCC3)c(=O)[nH]c12 ZINC000018032339 281315314 /nfs/dbraw/zinc/31/53/14/281315314.db2.gz SFFTULNMTHSWOT-UHFFFAOYSA-N 1 0 270.376 3.259 50 0 CGAARO Cc1cccc2c1OCCC[C@H]2[NH2+]C1CCC(O)CC1 ZINC000037201930 302060304 /nfs/dbraw/zinc/06/03/04/302060304.db2.gz ROPFGIOLDFXDST-ZBCRRDGASA-N 1 0 275.392 3.102 50 0 CGAARO CC[C@H]([NH2+]C1CCCCCC1)c1ncnn1CC ZINC000534574489 328309437 /nfs/dbraw/zinc/30/94/37/328309437.db2.gz JFBAMLVLVASMIJ-ZDUSSCGKSA-N 1 0 250.390 3.062 50 0 CGAARO CC(C)c1nnc(N2CCCC3(CC[NH2+]CC3)CC2)s1 ZINC000534643483 328329449 /nfs/dbraw/zinc/32/94/49/328329449.db2.gz AALQSXVMROFZOB-UHFFFAOYSA-N 1 0 294.468 3.022 50 0 CGAARO Cc1nc2n(n1)CCC[C@H]2[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000195568509 336056483 /nfs/dbraw/zinc/05/64/83/336056483.db2.gz MEKGLWAGQJWWNX-AEGPPILISA-N 1 0 274.412 3.003 50 0 CGAARO Cc1nc(SCCC[NH+]2CCCCC2)oc1C ZINC000195576190 336056777 /nfs/dbraw/zinc/05/67/77/336056777.db2.gz IPBRGHDSMGRJIN-UHFFFAOYSA-N 1 0 254.399 3.260 50 0 CGAARO COCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000012383712 523376020 /nfs/dbraw/zinc/37/60/20/523376020.db2.gz JGYIIIWQVOCKCF-CYBMUJFWSA-N 1 0 289.375 3.126 50 0 CGAARO CC(C)(C)c1ccc([C@H](C[NH3+])N2CCCCC2)cc1 ZINC000097915400 526791150 /nfs/dbraw/zinc/79/11/50/526791150.db2.gz PXOOYHFTBVTTDY-INIZCTEOSA-N 1 0 260.425 3.470 50 0 CGAARO CN1CC[C@H](C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000521402315 567870419 /nfs/dbraw/zinc/87/04/19/567870419.db2.gz XQOXNGYVGOWWHT-MRXNPFEDSA-N 1 0 266.388 3.400 50 0 CGAARO OC[C@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000023114986 572335445 /nfs/dbraw/zinc/33/54/45/572335445.db2.gz KMBMKBBNGXLQPY-QGZVFWFLSA-N 1 0 255.361 3.187 50 0 CGAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3ccccn3)CC2)o1 ZINC000022077667 617925756 /nfs/dbraw/zinc/92/57/56/617925756.db2.gz RGTXTIJKPALSJZ-HNNXBMFYSA-N 1 0 299.418 3.299 50 0 CGAARO CC[NH2+]Cc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000050479030 618108064 /nfs/dbraw/zinc/10/80/64/618108064.db2.gz NJOAKKAMEHUFOW-UHFFFAOYSA-N 1 0 269.270 3.205 50 0 CGAARO CC1=CC[C@@H]2C[N@@H+](Cc3ccnc(C(C)C)n3)C[C@@H]2C1 ZINC000071614421 625119524 /nfs/dbraw/zinc/11/95/24/625119524.db2.gz CZELIHKZQYYLED-CABCVRRESA-N 1 0 271.408 3.388 50 0 CGAARO Cc1cc(Cl)cc(C)c1OCCCC[NH+]1CCOCC1 ZINC000019720456 641038063 /nfs/dbraw/zinc/03/80/63/641038063.db2.gz BKXFXPOHYZOWEI-UHFFFAOYSA-N 1 0 297.826 3.448 50 0 CGAARO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000020543383 641044116 /nfs/dbraw/zinc/04/41/16/641044116.db2.gz RVVDRSVIQQXSAS-SLEUVZQESA-N 1 0 269.816 3.268 50 0 CGAARO CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)on1 ZINC000823565516 800468149 /nfs/dbraw/zinc/46/81/49/800468149.db2.gz ILMCOVDBHFCYOS-UHFFFAOYSA-N 1 0 299.374 3.085 50 0 CGAARO C[N@H+](Cn1c2cc(Cl)ccc2oc1=O)C1CCCCC1 ZINC000023279845 926834800 /nfs/dbraw/zinc/83/48/00/926834800.db2.gz KYZNWQANZGXTPV-UHFFFAOYSA-N 1 0 294.782 3.470 50 0 CGAARO Cc1n[nH]cc1CCC[NH2+]Cc1cc2ccccc2o1 ZINC000030667143 927411360 /nfs/dbraw/zinc/41/13/60/927411360.db2.gz 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/nfs/dbraw/zinc/99/01/20/937990120.db2.gz NUSTULOANHHARY-AWEZNQCLSA-N 1 0 284.407 3.223 50 0 CGAARO O[C@@H](c1cccs1)C1CC[NH+](C2CCSCC2)CC1 ZINC001529155403 938071387 /nfs/dbraw/zinc/07/13/87/938071387.db2.gz RYIDCJYJOFQEBY-OAHLLOKOSA-N 1 0 297.489 3.389 50 0 CGAARO Cc1nnc(N(C)CC[C@@H](C)[NH+]2CCCC2)c2ccccc12 ZINC001529195925 938071537 /nfs/dbraw/zinc/07/15/37/938071537.db2.gz QUVYURJVJKZIJI-CQSZACIVSA-N 1 0 298.434 3.249 50 0 CGAARO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000096478821 230380148 /nfs/dbraw/zinc/38/01/48/230380148.db2.gz WYQFKZPVCWYQPC-NEPJUHHUSA-N 1 0 283.362 3.473 50 0 CGAARO c1cc(C2CCN(CC[NH+]3CCCCC3)CC2)cs1 ZINC000186938760 230395762 /nfs/dbraw/zinc/39/57/62/230395762.db2.gz YLCYRMPGDWWASR-UHFFFAOYSA-N 1 0 278.465 3.413 50 0 CGAARO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000095968361 185046930 /nfs/dbraw/zinc/04/69/30/185046930.db2.gz VJXIMLANCGEADC-MWLCHTKSSA-N 1 0 291.819 3.244 50 0 CGAARO Cc1cc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c(C)s1 ZINC000095969273 185047600 /nfs/dbraw/zinc/04/76/00/185047600.db2.gz MAQRPPCGCKRLKB-JSGCOSHPSA-N 1 0 283.437 3.211 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(Cl)n1 ZINC000095971516 185048763 /nfs/dbraw/zinc/04/87/63/185048763.db2.gz HMSZHMHYBQEMIX-UHFFFAOYSA-N 1 0 289.766 3.097 50 0 CGAARO Cc1ncccc1C[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095978204 185052334 /nfs/dbraw/zinc/05/23/34/185052334.db2.gz OMLSGFXBIOKDMZ-SJCJKPOMSA-N 1 0 288.366 3.131 50 0 CGAARO CCn1cnnc1C[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000095982155 185054219 /nfs/dbraw/zinc/05/42/19/185054219.db2.gz RMHRAYWQFMTYJB-UHFFFAOYSA-N 1 0 298.434 3.288 50 0 CGAARO CC[C@H]([NH2+]CC(=O)N(CC)c1ccccc1)c1ccncc1 ZINC000096012822 185065756 /nfs/dbraw/zinc/06/57/56/185065756.db2.gz QGQWQRNNWWKSCQ-KRWDZBQOSA-N 1 0 297.402 3.175 50 0 CGAARO COCCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000096033100 185068170 /nfs/dbraw/zinc/06/81/70/185068170.db2.gz NMHFFFBKHFJTJO-UHFFFAOYSA-N 1 0 292.604 3.229 50 0 CGAARO CCCc1ccc([C@H]([NH2+]CC(=O)NC(C)C)C(C)C)cc1 ZINC000096955857 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Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccncc2)cc1 ZINC000081197925 345701017 /nfs/dbraw/zinc/70/10/17/345701017.db2.gz YPXSQHUOJXMENA-MSOLQXFVSA-N 1 0 282.387 3.400 50 0 CGAARO C[NH2+]Cc1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000081700892 345718160 /nfs/dbraw/zinc/71/81/60/345718160.db2.gz NLIDPGWNEJSFGX-UHFFFAOYSA-N 1 0 266.703 3.386 50 0 CGAARO CCOC(=O)[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000096026371 345900897 /nfs/dbraw/zinc/90/08/97/345900897.db2.gz SRKMITJNJVQFPE-AWEZNQCLSA-N 1 0 281.783 3.430 50 0 CGAARO CCc1nnc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)s1 ZINC000097103334 345906643 /nfs/dbraw/zinc/90/66/43/345906643.db2.gz OPJXESHWJGVLPU-WDEREUQCSA-N 1 0 253.415 3.111 50 0 CGAARO CCc1nc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cs1 ZINC000155789147 346155506 /nfs/dbraw/zinc/15/55/06/346155506.db2.gz JYOUPCVYUAPVDL-LLVKDONJSA-N 1 0 296.436 3.042 50 0 CGAARO COCc1cc(C[NH2+][C@@H](C)C[C@@H]2CCCO2)ccc1F ZINC000170670408 346197049 /nfs/dbraw/zinc/19/70/49/346197049.db2.gz YJHXHVRVCMFZRN-WFASDCNBSA-N 1 0 281.371 3.019 50 0 CGAARO C[NH+](C)CCc1ccc(NCc2ccc(O)cc2)cc1 ZINC000195575912 346274721 /nfs/dbraw/zinc/27/47/21/346274721.db2.gz UJQJUXGOWCPWFN-UHFFFAOYSA-N 1 0 270.376 3.108 50 0 CGAARO COc1cc(C[N@H+](C)[C@@H]2CCCc3cccnc32)ccc1O ZINC000225670610 346304686 /nfs/dbraw/zinc/30/46/86/346304686.db2.gz VWVKMUAHXFXXCY-OAHLLOKOSA-N 1 0 298.386 3.305 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000248120818 346373863 /nfs/dbraw/zinc/37/38/63/346373863.db2.gz KCKYRSKPPJTFQJ-GHMZBOCLSA-N 1 0 298.839 3.100 50 0 CGAARO CC[NH+](CC)Cc1cccc(Br)c1F ZINC000085476845 179079301 /nfs/dbraw/zinc/07/93/01/179079301.db2.gz HKTBOVMPELHPIA-UHFFFAOYSA-N 1 0 260.150 3.430 50 0 CGAARO CCn1cc(CC[N@H+](C)Cc2cccc3[nH]ccc32)cn1 ZINC000390834531 346575316 /nfs/dbraw/zinc/57/53/16/346575316.db2.gz AVTAZLAOMCSKDC-UHFFFAOYSA-N 1 0 282.391 3.059 50 0 CGAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H]1CCSC1 ZINC000584885311 346721535 /nfs/dbraw/zinc/72/15/35/346721535.db2.gz LQUCDINZTSOBNZ-NSHDSACASA-N 1 0 296.386 3.392 50 0 CGAARO 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3.360 50 0 CGAARO C[NH+](C)CCOc1ccccc1Cc1ccccc1 ZINC000000001931 368269430 /nfs/dbraw/zinc/26/94/30/368269430.db2.gz IZRPKIZLIFYYKR-UHFFFAOYSA-N 1 0 255.361 3.218 50 0 fda CGAARO [NH2+]=C1c2ccccc2CN1CC(=O)c1ccc(Cl)cc1 ZINC000000193567 368313141 /nfs/dbraw/zinc/31/31/41/368313141.db2.gz NNOFMCUKNXPQSG-UHFFFAOYSA-N 1 0 284.746 3.364 50 0 CGAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000000299301 368336349 /nfs/dbraw/zinc/33/63/49/368336349.db2.gz NOAWVJNTIMVTPT-UHFFFAOYSA-N 1 0 288.435 3.075 50 0 CGAARO Nc1[nH+]c2ccccc2n1CCOc1cccc(Cl)c1 ZINC000000811109 368396369 /nfs/dbraw/zinc/39/63/69/368396369.db2.gz GGUYEDMCMRQFRS-UHFFFAOYSA-N 1 0 287.750 3.351 50 0 CGAARO CCc1cccc(CC)c1NC(=O)C[NH+](CC)CC ZINC000001997251 368443325 /nfs/dbraw/zinc/44/33/25/368443325.db2.gz NBFJDONISMZDIC-UHFFFAOYSA-N 1 0 262.397 3.092 50 0 CGAARO CC(C)C[C@@H]([NH3+])P(=O)(OC(C)C)OC(C)C ZINC000001871481 368439925 /nfs/dbraw/zinc/43/99/25/368439925.db2.gz ROBZAJLOHJJLGY-NSHDSACASA-N 1 0 251.307 3.360 50 0 CGAARO CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@@H](C)C1 ZINC000004094072 368530143 /nfs/dbraw/zinc/53/01/43/368530143.db2.gz RJXDBTDFBZRPHG-KFGODFMUSA-N 1 0 293.451 3.452 50 0 CGAARO CC(C)(C)[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1 ZINC000004653433 368554944 /nfs/dbraw/zinc/55/49/44/368554944.db2.gz HKQWFFZFXVQHBY-OAHLLOKOSA-N 1 0 275.392 3.354 50 0 CGAARO CCC(CC)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000004685718 368556898 /nfs/dbraw/zinc/55/68/98/368556898.db2.gz KYDSRFWXCVWCBP-UHFFFAOYSA-N 1 0 251.370 3.025 50 0 CGAARO CC(C)CC(=O)N1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000004744193 368558453 /nfs/dbraw/zinc/55/84/53/368558453.db2.gz SJZNQHWVOAISLA-GASCZTMLSA-N 1 0 280.456 3.001 50 0 CGAARO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H](C)C3)c2c1 ZINC000004337141 368543826 /nfs/dbraw/zinc/54/38/26/368543826.db2.gz PFIOEEULSVWXAH-LBPRGKRZSA-N 1 0 286.375 3.091 50 0 in-vitro CGAARO c1cc(-c2ccccc2)oc1C[NH2+]C[C@@H]1CCCO1 ZINC000004512841 368548572 /nfs/dbraw/zinc/54/85/72/368548572.db2.gz 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/nfs/dbraw/zinc/66/09/05/368660905.db2.gz OLOPIQBMPIELJN-UHFFFAOYSA-N 1 0 294.826 3.192 50 0 CGAARO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000016580225 368716498 /nfs/dbraw/zinc/71/64/98/368716498.db2.gz WBZPUHUXRUXVHP-UHFFFAOYSA-N 1 0 288.435 3.200 50 0 CGAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000016662706 368720076 /nfs/dbraw/zinc/72/00/76/368720076.db2.gz QQVYWRUBHMVGND-HNNXBMFYSA-N 1 0 261.365 3.238 50 0 CGAARO c1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)cc1 ZINC000013993280 368672985 /nfs/dbraw/zinc/67/29/85/368672985.db2.gz VIUKZKKVASWGSF-GOSISDBHSA-N 1 0 282.387 3.263 50 0 CGAARO Clc1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000014631417 368682720 /nfs/dbraw/zinc/68/27/20/368682720.db2.gz SHRHZZJSPPZGGS-UHFFFAOYSA-N 1 0 260.164 3.372 50 0 CGAARO c1ccc(Cc2ccccc2O[C@H]2CC[NH2+]C2)cc1 ZINC000014632151 368684397 /nfs/dbraw/zinc/68/43/97/368684397.db2.gz VHOYBFRUGXGYHH-INIZCTEOSA-N 1 0 253.345 3.018 50 0 CGAARO CC1=C(CC[N@@H+]2CCC(=O)N(C)CC2)C(C)(C)CCC1 ZINC000014953589 368686448 /nfs/dbraw/zinc/68/64/48/368686448.db2.gz HNKURPRFUCIGLG-UHFFFAOYSA-N 1 0 278.440 3.067 50 0 CGAARO Fc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)c(F)c1 ZINC000014977448 368686889 /nfs/dbraw/zinc/68/68/89/368686889.db2.gz TWLWOGOGJBRMCX-AWEZNQCLSA-N 1 0 275.298 3.058 50 0 CGAARO CC(C)(C)c1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019607415 368758614 /nfs/dbraw/zinc/75/86/14/368758614.db2.gz HLHHJPJLRUEDOA-UHFFFAOYSA-N 1 0 291.435 3.475 50 0 CGAARO c1ccc(CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019633439 368758639 /nfs/dbraw/zinc/75/86/39/368758639.db2.gz VQEIGNPANOHOSZ-UHFFFAOYSA-N 1 0 294.442 3.437 50 0 CGAARO Clc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000019607501 368758831 /nfs/dbraw/zinc/75/88/31/368758831.db2.gz BOLQYFVHOYCAMQ-UHFFFAOYSA-N 1 0 283.799 3.221 50 0 CGAARO Brc1ccccc1C[NH2+]C1CCCC1 ZINC000019883676 368775699 /nfs/dbraw/zinc/77/56/99/368775699.db2.gz SZBAQHFCXWORMN-UHFFFAOYSA-N 1 0 254.171 3.481 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000125873783 370941354 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ZINC000032739820 368942711 /nfs/dbraw/zinc/94/27/11/368942711.db2.gz QWEOWGJVQOWCIL-UHFFFAOYSA-N 1 0 289.350 3.479 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000032797318 368946029 /nfs/dbraw/zinc/94/60/29/368946029.db2.gz WBSNYTXTHVXBLZ-QGZVFWFLSA-N 1 0 298.386 3.149 50 0 CGAARO O=C(C[C@@H]1C=CCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911486 368952399 /nfs/dbraw/zinc/95/23/99/368952399.db2.gz LMRFKEOEDQVXBQ-AEFFLSMTSA-N 1 0 298.430 3.124 50 0 CGAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1ccccn1 ZINC000036657785 369024611 /nfs/dbraw/zinc/02/46/11/369024611.db2.gz PLAWQUGULXWTFH-UHFFFAOYSA-N 1 0 283.350 3.343 50 0 CGAARO CC(C)([NH2+]C[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000037129046 369065262 /nfs/dbraw/zinc/06/52/62/369065262.db2.gz HCKHOOBIPWGPKJ-NSHDSACASA-N 1 0 298.224 3.310 50 0 CGAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]C1Cc2ccccc2C1 ZINC000037156799 369072748 /nfs/dbraw/zinc/07/27/48/369072748.db2.gz IQMJACVRPBEKJS-KRWDZBQOSA-N 1 0 283.419 3.055 50 0 CGAARO CC1(C)[NH2+]Cc2cc(N)ccc2[C@H]1c1ccccc1 ZINC000039257939 369148804 /nfs/dbraw/zinc/14/88/04/369148804.db2.gz CIAHEEUKSBGPMM-MRXNPFEDSA-N 1 0 252.361 3.283 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000038011111 369139246 /nfs/dbraw/zinc/13/92/46/369139246.db2.gz OFDNFOILFBFJBH-SECBINFHSA-N 1 0 294.196 3.331 50 0 CGAARO COC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000042228519 369205119 /nfs/dbraw/zinc/20/51/19/369205119.db2.gz AMUHBXLOQCHKME-UHFFFAOYSA-N 1 0 284.197 3.060 50 0 CGAARO CCCc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000042773757 369232504 /nfs/dbraw/zinc/23/25/04/369232504.db2.gz JSVCXWWFMYAUTN-HNNXBMFYSA-N 1 0 277.408 3.416 50 0 CGAARO COc1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770938 369231413 /nfs/dbraw/zinc/23/14/13/369231413.db2.gz YQBIBDCKIHVGPJ-LLVKDONJSA-N 1 0 269.772 3.117 50 0 CGAARO CCc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775144 369232070 /nfs/dbraw/zinc/23/20/70/369232070.db2.gz GFBFMDAJZXJIFN-GFCCVEGCSA-N 1 0 253.773 3.281 50 0 CGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)s1 ZINC000048324542 369341428 /nfs/dbraw/zinc/34/14/28/369341428.db2.gz SSDNKTZKLQJFHH-JTQLQIEISA-N 1 0 286.828 3.006 50 0 CGAARO COc1cccc([C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000229859290 189802720 /nfs/dbraw/zinc/80/27/20/189802720.db2.gz SZOCMWIUYGXTKT-GJZGRUSLSA-N 1 0 299.418 3.054 50 0 CGAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccn2)CC1 ZINC000054991732 369508759 /nfs/dbraw/zinc/50/87/59/369508759.db2.gz DIZFJFYXJSRSAQ-UHFFFAOYSA-N 1 0 295.430 3.178 50 0 CGAARO CC(C)=CC[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055358790 369515107 /nfs/dbraw/zinc/51/51/07/369515107.db2.gz NFTRCXUCXCXOJQ-UHFFFAOYSA-N 1 0 284.407 3.137 50 0 CGAARO CCc1cccc(C)c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000058160873 369555330 /nfs/dbraw/zinc/55/53/30/369555330.db2.gz YFEHJDYDSSXZMF-UHFFFAOYSA-N 1 0 282.387 3.286 50 0 CGAARO C[C@@H](CCNC(=[NH2+])NCc1ccccc1)c1ccccc1 ZINC000058329386 369563687 /nfs/dbraw/zinc/56/36/87/369563687.db2.gz TZTADSIVYDTZDZ-HNNXBMFYSA-N 1 0 281.403 3.494 50 0 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/nfs/dbraw/zinc/01/65/46/370016546.db2.gz FXQKMNIGLIWUBU-UHFFFAOYSA-N 1 0 294.398 3.164 50 0 CGAARO CC(C)c1nsc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088164921 370030755 /nfs/dbraw/zinc/03/07/55/370030755.db2.gz OQBNJUIBMYYFNZ-YOGCLGLASA-N 1 0 280.441 3.089 50 0 CGAARO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC000090221529 370059067 /nfs/dbraw/zinc/05/90/67/370059067.db2.gz IKFRDASQWWKOIV-VOJFVSQTSA-N 1 0 279.430 3.336 50 0 CGAARO C[C@H]([NH2+]CCN(C)c1ccccc1)c1cncc(F)c1 ZINC000089904608 370050771 /nfs/dbraw/zinc/05/07/71/370050771.db2.gz VIKDJFQCHXJPOR-ZDUSSCGKSA-N 1 0 273.355 3.008 50 0 CGAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000089959044 370051598 /nfs/dbraw/zinc/05/15/98/370051598.db2.gz XFENTWABLFPJPT-HNNXBMFYSA-N 1 0 299.374 3.155 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000089941612 370052427 /nfs/dbraw/zinc/05/24/27/370052427.db2.gz JWGOFCLPVSIKGA-WBVHZDCISA-N 1 0 286.419 3.055 50 0 CGAARO CC[NH+]1CCC(CC(=O)N2CC[C@@H]2c2ccccc2)CC1 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CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccc2cc(O)ccc2c1 ZINC000097475622 370243542 /nfs/dbraw/zinc/24/35/42/370243542.db2.gz DYXYCNAHRNMNDI-LJQANCHMSA-N 1 0 298.430 3.317 50 0 CGAARO C[C@H](c1ccc(-c2cc(N)ncn2)cc1)[NH+]1CCCCC1 ZINC000097529002 370245037 /nfs/dbraw/zinc/24/50/37/370245037.db2.gz SDVQHLPRECPYAQ-CYBMUJFWSA-N 1 0 282.391 3.273 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)n1C ZINC000097602160 370248561 /nfs/dbraw/zinc/24/85/61/370248561.db2.gz MHXQYAXOQHVZRB-INIZCTEOSA-N 1 0 269.392 3.108 50 0 CGAARO C[C@H](CO)[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000095420762 370188069 /nfs/dbraw/zinc/18/80/69/370188069.db2.gz NOFKTQNGMCQLSG-QBIMZIAESA-N 1 0 283.371 3.222 50 0 CGAARO COc1ccccc1C[C@H](C)[NH2+]CCc1ncc(C)s1 ZINC000095423289 370190136 /nfs/dbraw/zinc/19/01/36/370190136.db2.gz IDTUAERKELHDOF-LBPRGKRZSA-N 1 0 290.432 3.223 50 0 CGAARO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)c1 ZINC000095448853 370195433 /nfs/dbraw/zinc/19/54/33/370195433.db2.gz SYKYAWUUHKUQBM-WFASDCNBSA-N 1 0 277.339 3.329 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)o1 ZINC000095448885 370195739 /nfs/dbraw/zinc/19/57/39/370195739.db2.gz XVJPKOXYAVBDCG-ZBEGNZNMSA-N 1 0 277.339 3.329 50 0 CGAARO COc1ccc(COC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC000095467980 370197866 /nfs/dbraw/zinc/19/78/66/370197866.db2.gz PIPKHWPPXNDPRC-UHFFFAOYSA-N 1 0 296.326 3.008 50 0 CGAARO CCN(CC)C(=O)CC[NH2+][C@H](C(C)C)C1CCCCC1 ZINC000095462784 370198750 /nfs/dbraw/zinc/19/87/50/370198750.db2.gz ZNWOFBNJDCKPOX-QGZVFWFLSA-N 1 0 282.472 3.439 50 0 CGAARO Cc1csc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n1 ZINC000102949847 370315847 /nfs/dbraw/zinc/31/58/47/370315847.db2.gz PWNZBMIMOBSIMV-CQSZACIVSA-N 1 0 287.432 3.269 50 0 CGAARO CC(=O)c1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002845843 541848876 /nfs/dbraw/zinc/84/88/76/541848876.db2.gz FJYRLFVELXDKEM-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CCc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n(C)n1 ZINC000426503586 372161998 /nfs/dbraw/zinc/16/19/98/372161998.db2.gz 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541911097 /nfs/dbraw/zinc/91/10/97/541911097.db2.gz YWJGGVQKLNIVAZ-UPJWGTAASA-N 1 0 261.369 3.152 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)c1ccncc1 ZINC000090712494 541964030 /nfs/dbraw/zinc/96/40/30/541964030.db2.gz VMKLSZBMXAUXNE-XYPHTWIQSA-N 1 0 282.387 3.262 50 0 CGAARO Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCCOCC1 ZINC000187577098 375046088 /nfs/dbraw/zinc/04/60/88/375046088.db2.gz VVNRYTUWTGWSCD-GFCCVEGCSA-N 1 0 257.736 3.138 50 0 CGAARO Cc1c(-c2cc(C[NH2+][C@@H]3CCCC3(C)C)on2)cnn1C ZINC000191859689 375669562 /nfs/dbraw/zinc/66/95/62/375669562.db2.gz ZKFWTSFIJXCDJP-OAHLLOKOSA-N 1 0 288.395 3.052 50 0 CGAARO Fc1ccc([C@H]2CCC[N@H+](Cc3ncccn3)CC2)cc1 ZINC000336085969 375674926 /nfs/dbraw/zinc/67/49/26/375674926.db2.gz OYDCSTSVRRRPHH-AWEZNQCLSA-N 1 0 285.366 3.385 50 0 CGAARO O[C@]1(C[NH2+]C2c3ccccc3-c3ccccc32)CCSC1 ZINC000195555513 376112420 /nfs/dbraw/zinc/11/24/20/376112420.db2.gz AGBBXWDTECYODT-SFHVURJKSA-N 1 0 297.423 3.214 50 0 CGAARO C/C=C/C=C\C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000211224194 376133408 /nfs/dbraw/zinc/13/34/08/376133408.db2.gz GLERGCXZRRBYPB-OKYVFKAZSA-N 1 0 298.430 3.099 50 0 CGAARO CCOc1ccc2nc(C[NH+]3CCSCC3)ccc2c1 ZINC000215040488 376144952 /nfs/dbraw/zinc/14/49/52/376144952.db2.gz SAQXCKHPQVDTPC-UHFFFAOYSA-N 1 0 288.416 3.182 50 0 CGAARO Cc1ncc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nc1C ZINC000215315068 376147599 /nfs/dbraw/zinc/14/75/99/376147599.db2.gz CRYGAYYMUJHIAZ-CYBMUJFWSA-N 1 0 255.365 3.383 50 0 CGAARO C[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc(Cl)o3)C2)C1 ZINC000215929864 376155213 /nfs/dbraw/zinc/15/52/13/376155213.db2.gz OTCDKPNVYFFOHO-OAHLLOKOSA-N 1 0 282.815 3.241 50 0 CGAARO COc1c(F)cccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000216165880 376158241 /nfs/dbraw/zinc/15/82/41/376158241.db2.gz UCMUFCHAYTVULJ-UHFFFAOYSA-N 1 0 293.382 3.227 50 0 CGAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000225518130 376315114 /nfs/dbraw/zinc/31/51/14/376315114.db2.gz WRFFWBRYUBSVGK-LBPRGKRZSA-N 1 0 270.332 3.003 50 0 CGAARO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCN(c3ccccn3)C2)C1 ZINC000225640002 376320491 /nfs/dbraw/zinc/32/04/91/376320491.db2.gz YBAIOEPLEZOJGE-BHYGNILZSA-N 1 0 285.435 3.242 50 0 CGAARO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000230213912 376495263 /nfs/dbraw/zinc/49/52/63/376495263.db2.gz IRRIGORCGFNXCU-QPSCCSFWSA-N 1 0 271.470 3.408 50 0 CGAARO Cc1nccc(N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n1 ZINC000239352327 376774438 /nfs/dbraw/zinc/77/44/38/376774438.db2.gz ABSRFNCGKAPFBO-CVEARBPZSA-N 1 0 297.402 3.467 50 0 CGAARO CCOC1CC(C[N@@H+]2CCSC[C@H]2c2ccc(C)o2)C1 ZINC000240454674 376776821 /nfs/dbraw/zinc/77/68/21/376776821.db2.gz FYAZPKSHYCINHN-NRXISQOPSA-N 1 0 295.448 3.493 50 0 CGAARO C[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000240707719 376777017 /nfs/dbraw/zinc/77/70/17/376777017.db2.gz HQAOOHINXZAGFN-OAGGEKHMSA-N 1 0 294.483 3.439 50 0 CGAARO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1)c1cccc(O)c1 ZINC000241465950 376779258 /nfs/dbraw/zinc/77/92/58/376779258.db2.gz NTGYHBLAZIARSF-MEDUHNTESA-N 1 0 291.778 3.430 50 0 CGAARO CCCO[C@@H]1CCC[N@H+](CCCc2ccco2)C1 ZINC000244691006 376792483 /nfs/dbraw/zinc/79/24/83/376792483.db2.gz JAVHMOMVBKPNBG-OAHLLOKOSA-N 1 0 251.370 3.103 50 0 CGAARO CCc1ccc(C[N@H+](C)CCCc2ccco2)nc1 ZINC000244840284 376799890 /nfs/dbraw/zinc/79/98/90/376799890.db2.gz UKKMITHJNUBBNY-UHFFFAOYSA-N 1 0 258.365 3.302 50 0 CGAARO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1OCC1CC1 ZINC000340242849 376957960 /nfs/dbraw/zinc/95/79/60/376957960.db2.gz BDEQZOQOYMLHLS-CYBMUJFWSA-N 1 0 277.408 3.379 50 0 CGAARO CC[N@H+](Cc1nnc(C)n1C1CC1)[C@@H]1CCCC[C@H]1C ZINC000249315257 377490439 /nfs/dbraw/zinc/49/04/39/377490439.db2.gz FHYGIPMNOAOINR-IUODEOHRSA-N 1 0 276.428 3.322 50 0 CGAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000249695813 377524358 /nfs/dbraw/zinc/52/43/58/377524358.db2.gz RNBLFCHVTMMGDK-NWDGAFQWSA-N 1 0 296.798 3.022 50 0 CGAARO c1ccc2c(c1)N[C@@H]1[C@@H]2CC[N@@H+]2C[C@@H]3CCCC[C@H]3[C@H]12 ZINC000252694494 377651822 /nfs/dbraw/zinc/65/18/22/377651822.db2.gz LKHAUIVLOLWBIF-PWIZGLKMSA-N 1 0 268.404 3.459 50 0 biogenic CGAARO COCC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000253416093 377691771 /nfs/dbraw/zinc/69/17/71/377691771.db2.gz YJDRNERRBSNJDE-IAQYHMDHSA-N 1 0 293.798 3.492 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000253393965 377688249 /nfs/dbraw/zinc/68/82/49/377688249.db2.gz UDNPWCAZZRZSLZ-HNNXBMFYSA-N 1 0 257.337 3.024 50 0 CGAARO O=C(c1cccs1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257183425 377793146 /nfs/dbraw/zinc/79/31/46/377793146.db2.gz RJFWCOJVSNBCCX-AWEZNQCLSA-N 1 0 292.448 3.086 50 0 CGAARO O=C(CC1CCCC1)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000257195990 377796784 /nfs/dbraw/zinc/79/67/84/377796784.db2.gz XHXCOAWQGOGYKB-KRWDZBQOSA-N 1 0 292.467 3.434 50 0 CGAARO COc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1O ZINC000408515731 380015079 /nfs/dbraw/zinc/01/50/79/380015079.db2.gz YZSTUVWPFQGNRW-UHFFFAOYSA-N 1 0 296.370 3.214 50 0 CGAARO CCC(O)(CC)C[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194873846 542277976 /nfs/dbraw/zinc/27/79/76/542277976.db2.gz RNTNMNYECCXHJI-OAHLLOKOSA-N 1 0 277.408 3.213 50 0 CGAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000361748580 381865921 /nfs/dbraw/zinc/86/59/21/381865921.db2.gz BMQBMZYPFSAMMS-FPMFFAJLSA-N 1 0 280.437 3.376 50 0 CGAARO COc1ccccc1[C@@]1(CC[NH3+])CCO[C@@H](C(C)C)C1 ZINC000004043966 184530092 /nfs/dbraw/zinc/53/00/92/184530092.db2.gz UBPJRGWVQZCLHX-SJORKVTESA-N 1 0 277.408 3.117 50 0 biogenic CGAARO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)c3cccnc3)C2)[nH]n1 ZINC000257366271 542354564 /nfs/dbraw/zinc/35/45/64/542354564.db2.gz QDXQPMPUZOURIP-HIFRSBDPSA-N 1 0 270.380 3.054 50 0 CGAARO Cc1ccccc1C[C@@H](C)[NH2+]CCc1ccccn1 ZINC000095419152 184976038 /nfs/dbraw/zinc/97/60/38/184976038.db2.gz JHNXEQZYWSRDSK-OAHLLOKOSA-N 1 0 254.377 3.153 50 0 CGAARO COc1cccc(C2CC[NH+](C[C@@H](O)C(C)C)CC2)c1F ZINC000366587392 533441864 /nfs/dbraw/zinc/44/18/64/533441864.db2.gz VIYYMHKDNPZTSN-OAHLLOKOSA-N 1 0 295.398 3.031 50 0 CGAARO C[C@@H]([NH2+]Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000096443347 533472660 /nfs/dbraw/zinc/47/26/60/533472660.db2.gz UQMWDOLXPCVXEC-SNVBAGLBSA-N 1 0 277.343 3.400 50 0 CGAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000000245841 391907161 /nfs/dbraw/zinc/90/71/61/391907161.db2.gz MFSKQYNVSZNUGB-MRXNPFEDSA-N 1 0 291.435 3.344 50 0 CGAARO Cc1ccsc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027676091 391952393 /nfs/dbraw/zinc/95/23/93/391952393.db2.gz MPJKKTBJAMZOGH-LLVKDONJSA-N 1 0 294.445 3.151 50 0 CGAARO CSCCC[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000072171622 392196163 /nfs/dbraw/zinc/19/61/63/392196163.db2.gz OHTFWLSLDXXANJ-AWEZNQCLSA-N 1 0 250.411 3.362 50 0 CGAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000078553011 392218630 /nfs/dbraw/zinc/21/86/30/392218630.db2.gz BJEUFPWCOVJBPU-QAPCUYQASA-N 1 0 281.403 3.007 50 0 CGAARO Cc1cccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)c1 ZINC000096477885 392256502 /nfs/dbraw/zinc/25/65/02/392256502.db2.gz CRQAECPUTKXQGT-SCLBCKFNSA-N 1 0 267.438 3.193 50 0 CGAARO COc1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1OC ZINC000097288669 392261636 /nfs/dbraw/zinc/26/16/36/392261636.db2.gz DGWMOGJAHTWEEJ-UHFFFAOYSA-N 1 0 298.386 3.362 50 0 CGAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000262762713 131259759 /nfs/dbraw/zinc/25/97/59/131259759.db2.gz RDPGJYKMRPAPQD-GUYCJALGSA-N 1 0 297.402 3.024 50 0 CGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000215450933 392986962 /nfs/dbraw/zinc/98/69/62/392986962.db2.gz ZUELZLTZYPDBIL-KRWDZBQOSA-N 1 0 297.402 3.145 50 0 CGAARO COC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000215450981 392987221 /nfs/dbraw/zinc/98/72/21/392987221.db2.gz ZUELZLTZYPDBIL-QGZVFWFLSA-N 1 0 297.402 3.145 50 0 CGAARO c1ccc(CNCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228068610 393019160 /nfs/dbraw/zinc/01/91/60/393019160.db2.gz ZJSKXUTVCJROCT-IAGOWNOFSA-N 1 0 258.409 3.041 50 0 CGAARO Cc1cccc([C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000091493529 135071104 /nfs/dbraw/zinc/07/11/04/135071104.db2.gz LDUVDEMRRBYURX-OAHLLOKOSA-N 1 0 282.391 3.060 50 0 CGAARO O=C(OC[C@@H]1CCC[N@@H+]1Cc1ccco1)[C@@H]1CC=CCC1 ZINC000107540838 397652422 /nfs/dbraw/zinc/65/24/22/397652422.db2.gz YPYSFJWLJQVCIC-CABCVRRESA-N 1 0 289.375 3.144 50 0 CGAARO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000239308852 397668875 /nfs/dbraw/zinc/66/88/75/397668875.db2.gz HADCLITXFGHGEQ-NVXWUHKLSA-N 1 0 291.435 3.424 50 0 CGAARO Cc1ccc2oc(C(=O)OCC(C)(C)C[NH+](C)C)cc2c1 ZINC000001834359 169759285 /nfs/dbraw/zinc/75/92/85/169759285.db2.gz VAJLHMQHXVJYTM-UHFFFAOYSA-N 1 0 289.375 3.486 50 0 CGAARO Cc1cccc(Cl)c1OCCOCC[NH2+]C(C)(C)C ZINC000002980650 169846896 /nfs/dbraw/zinc/84/68/96/169846896.db2.gz UKGIIIPURUCYFB-UHFFFAOYSA-N 1 0 285.815 3.432 50 0 CGAARO CCCC[NH2+]CCOc1cccc(Br)c1 ZINC000003460507 169889821 /nfs/dbraw/zinc/88/98/21/169889821.db2.gz WKSAFFLTQDTOQF-UHFFFAOYSA-N 1 0 272.186 3.218 50 0 CGAARO Cc1ccc(C)c(NC(=O)CC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004743736 170009737 /nfs/dbraw/zinc/00/97/37/170009737.db2.gz RWRVDPGNLOVBNQ-AWEZNQCLSA-N 1 0 274.408 3.364 50 0 CGAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000004744665 170010451 /nfs/dbraw/zinc/01/04/51/170010451.db2.gz VSEPPSADXFYHNM-CHWSQXEVSA-N 1 0 278.371 3.132 50 0 CGAARO CC1CC[NH+](CCOc2ccc(Cl)cc2C=O)CC1 ZINC000004870195 170034953 /nfs/dbraw/zinc/03/49/53/170034953.db2.gz FLQYXHDAJQJKIJ-UHFFFAOYSA-N 1 0 281.783 3.263 50 0 CGAARO CC[C@@H](C)c1ccccc1OCCOCC[NH+](C)C ZINC000004913942 170040646 /nfs/dbraw/zinc/04/06/46/170040646.db2.gz BEERUAVVDSFUEP-CQSZACIVSA-N 1 0 265.397 3.157 50 0 CGAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000004942995 170043723 /nfs/dbraw/zinc/04/37/23/170043723.db2.gz TYRUYFLGDDXNES-NSHDSACASA-N 1 0 257.333 3.252 50 0 CGAARO COCCC[NH2+]CCCOc1ccc(Cl)cc1C ZINC000005024214 170056955 /nfs/dbraw/zinc/05/69/55/170056955.db2.gz TVCRWLOQOSMMQZ-UHFFFAOYSA-N 1 0 271.788 3.043 50 0 CGAARO c1ccc2c(c1)[nH]c1c2ncnc1NCC[NH+]1CCCCC1 ZINC000005067366 170063298 /nfs/dbraw/zinc/06/32/98/170063298.db2.gz SRGSOSLOFSBNLY-UHFFFAOYSA-N 1 0 295.390 3.009 50 0 CGAARO O[C@@H]1CCC[N@@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000005092854 170065855 /nfs/dbraw/zinc/06/58/55/170065855.db2.gz KDYFFBOYVUSBEM-OFLPRAFFSA-N 1 0 259.393 3.170 50 0 CGAARO c1ccc2sc(SC3CC[NH2+]CC3)nc2c1 ZINC000005648936 170123896 /nfs/dbraw/zinc/12/38/96/170123896.db2.gz GHGDREBDLZLBSJ-UHFFFAOYSA-N 1 0 250.392 3.140 50 0 CGAARO CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000005908906 170153633 /nfs/dbraw/zinc/15/36/33/170153633.db2.gz YPZWNJUKRILYCT-QAPCUYQASA-N 1 0 299.414 3.340 50 0 CGAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000006699370 170228136 /nfs/dbraw/zinc/22/81/36/170228136.db2.gz NPRNLXNGVWOZHH-UHFFFAOYSA-N 1 0 295.814 3.334 50 0 CGAARO CC[NH2+]CCOc1c(C)cc(C)cc1Br ZINC000006701526 170229377 /nfs/dbraw/zinc/22/93/77/170229377.db2.gz OPZZNHILHCUOOF-UHFFFAOYSA-N 1 0 272.186 3.054 50 0 CGAARO COc1ccc2oc(=O)cc(C[NH+]3CCCCCC3)c2c1 ZINC000006730272 170234651 /nfs/dbraw/zinc/23/46/51/170234651.db2.gz VRBKHIWRUNODHM-UHFFFAOYSA-N 1 0 287.359 3.178 50 0 CGAARO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000006744591 170239026 /nfs/dbraw/zinc/23/90/26/170239026.db2.gz RLZIFDRTQVPRSD-GOEBONIOSA-N 1 0 294.439 3.310 50 0 biogenic CGAARO C[NH+](C)C[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000007816515 170304099 /nfs/dbraw/zinc/30/40/99/170304099.db2.gz OXWINSKYHKYYND-GOSISDBHSA-N 1 0 296.414 3.038 50 0 CGAARO Clc1cccc(CSC2=NN/C(=C3\C=CC=[NH+]3)O2)c1 ZINC000009582360 170382075 /nfs/dbraw/zinc/38/20/75/170382075.db2.gz UQRYUQKKLOZUHY-QXMHVHEDSA-N 1 0 291.763 3.274 50 0 CGAARO CC(C)CCN1CC[C@@H]([NH2+]C2CCCCC2)CCC1=O ZINC000014992878 170652552 /nfs/dbraw/zinc/65/25/52/170652552.db2.gz IHUAAXDVRRRELV-INIZCTEOSA-N 1 0 280.456 3.336 50 0 CGAARO Clc1ccc(C[NH2+]CCN2CCCC2)cc1Cl ZINC000020126725 171011043 /nfs/dbraw/zinc/01/10/43/171011043.db2.gz VVLFUMKYXMNTGR-UHFFFAOYSA-N 1 0 273.207 3.179 50 0 CGAARO C[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@@H](C)O1 ZINC000020168125 171040415 /nfs/dbraw/zinc/04/04/15/171040415.db2.gz GQHHYJDZVGBDKK-ZIAGYGMSSA-N 1 0 281.371 3.094 50 0 CGAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC3CCOCC3)nc2c1 ZINC000020862602 171276379 /nfs/dbraw/zinc/27/63/79/171276379.db2.gz PSHPIFMQIRHZBN-KRWDZBQOSA-N 1 0 299.418 3.435 50 0 CGAARO Fc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ZINC000021635871 171317820 /nfs/dbraw/zinc/31/78/20/171317820.db2.gz QHZSDSAIZWHGTH-UHFFFAOYSA-N 1 0 267.307 3.059 50 0 CGAARO Fc1ccc(-c2nc(C[NH2+]C[C@@H]3CCCO3)cs2)cc1 ZINC000035163436 172024856 /nfs/dbraw/zinc/02/48/56/172024856.db2.gz YISLBUVNMUBOOH-AWEZNQCLSA-N 1 0 292.379 3.218 50 0 CGAARO Clc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000035287311 172104877 /nfs/dbraw/zinc/10/48/77/172104877.db2.gz ORSFPQWUFWQHTI-UHFFFAOYSA-N 1 0 276.767 3.294 50 0 CGAARO O[C@@H](C[NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000035535623 172243848 /nfs/dbraw/zinc/24/38/48/172243848.db2.gz KGVMWXOXZIZYGK-JEZWAEDTSA-N 1 0 253.345 3.023 50 0 CGAARO CCOC1CC2(C1)CC[N@H+](Cc1cccc(COC)c1)C2 ZINC000285400981 196273337 /nfs/dbraw/zinc/27/33/37/196273337.db2.gz DZFFNACNNCHXEQ-UHFFFAOYSA-N 1 0 289.419 3.224 50 0 CGAARO O=C(Nc1ccccc1-c1cccs1)[C@H]1CCC[NH2+]1 ZINC000037032804 172900883 /nfs/dbraw/zinc/90/08/83/172900883.db2.gz YQNHWVAIGLKVSR-CYBMUJFWSA-N 1 0 272.373 3.106 50 0 CGAARO Clc1cc(Br)ccc1C[NH2+]C1CC1 ZINC000037366882 173156182 /nfs/dbraw/zinc/15/61/82/173156182.db2.gz ZDCQCAUJULLMJW-UHFFFAOYSA-N 1 0 260.562 3.355 50 0 CGAARO OC[C@]1([NH2+]Cc2cccs2)CCCc2ccccc21 ZINC000038123753 174130267 /nfs/dbraw/zinc/13/02/67/174130267.db2.gz WPUPRUAQEWEZGO-MRXNPFEDSA-N 1 0 273.401 3.062 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1O ZINC000044729297 175239407 /nfs/dbraw/zinc/23/94/07/175239407.db2.gz CDWMGHGFESQFCP-NSHDSACASA-N 1 0 275.348 3.461 50 0 CGAARO C1C[NH+]=C(NC2CCCCCC2)C2(CCCCCC2)N1 ZINC000046153317 175393441 /nfs/dbraw/zinc/39/34/41/175393441.db2.gz BMSFSHLFSKNGSA-UHFFFAOYSA-N 1 0 277.456 3.394 50 0 biogenic CGAARO COc1ccc(OC/C=C/C[NH+]2CCC(C)CC2)cc1 ZINC000058159024 175608879 /nfs/dbraw/zinc/60/88/79/175608879.db2.gz GDJOIJLRNIMRPS-ONEGZZNKSA-N 1 0 275.392 3.362 50 0 CGAARO Fc1ccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000071759148 176260907 /nfs/dbraw/zinc/26/09/07/176260907.db2.gz VHHOHJUDGWIMJG-OAHLLOKOSA-N 1 0 287.382 3.394 50 0 CGAARO CC(C)([NH2+]Cc1cccc(O)c1)c1ccc2c(c1)OCO2 ZINC000071792574 176263436 /nfs/dbraw/zinc/26/34/36/176263436.db2.gz UKKHLEDPLKEECE-UHFFFAOYSA-N 1 0 285.343 3.146 50 0 CGAARO c1cncc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2C=CCCC2)c1 ZINC000071904856 176295370 /nfs/dbraw/zinc/29/53/70/176295370.db2.gz IEIIRLWYNDDPRA-IRXDYDNUSA-N 1 0 272.392 3.171 50 0 CGAARO COc1ccc(CCC[N@H+](C)Cc2cccnc2)cc1 ZINC000072014204 176309194 /nfs/dbraw/zinc/30/91/94/176309194.db2.gz TWGFTOVBOXVAIV-UHFFFAOYSA-N 1 0 270.376 3.155 50 0 CGAARO CC(C)[N@@H+]1CC[C@@H](Cc2cccc(Br)n2)C1 ZINC000072344244 176372615 /nfs/dbraw/zinc/37/26/15/176372615.db2.gz GRYQCTJCNVOPCQ-NSHDSACASA-N 1 0 283.213 3.117 50 0 CGAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2c1 ZINC000077385423 177261249 /nfs/dbraw/zinc/26/12/49/177261249.db2.gz RFBPYWARBPCLBY-HNNXBMFYSA-N 1 0 292.386 3.338 50 0 CGAARO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000077458039 177271094 /nfs/dbraw/zinc/27/10/94/177271094.db2.gz ATBBCKCQLUGRMG-AWEZNQCLSA-N 1 0 298.386 3.045 50 0 CGAARO COCc1csc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)c1 ZINC000657442318 419279829 /nfs/dbraw/zinc/27/98/29/419279829.db2.gz AWJBYQUCNZDPLA-MRXNPFEDSA-N 1 0 297.464 3.315 50 0 CGAARO FCC1(CF)CC([NH2+]C[C@H](c2ccco2)N2CCCC2)C1 ZINC000657816074 419364920 /nfs/dbraw/zinc/36/49/20/419364920.db2.gz HSGNCLJWTNCPAQ-CQSZACIVSA-N 1 0 298.377 3.094 50 0 CGAARO CC(C)=CCC[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1 ZINC000032516071 270027270 /nfs/dbraw/zinc/02/72/70/270027270.db2.gz SUWMUGQDJIMAPG-WBVHZDCISA-N 1 0 261.409 3.315 50 0 CGAARO Cc1oc2ccccc2c1CN[C@H](C)c1nccn1C ZINC000184722030 270060007 /nfs/dbraw/zinc/06/00/07/270060007.db2.gz HVGDUCGPJMAHDE-LLVKDONJSA-N 1 0 269.348 3.326 50 0 CGAARO CC1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000057539633 273595022 /nfs/dbraw/zinc/59/50/22/273595022.db2.gz ATLPVNCWYLTZMQ-UHFFFAOYSA-N 1 0 254.171 3.090 50 0 CGAARO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000065503424 274012025 /nfs/dbraw/zinc/01/20/25/274012025.db2.gz NPGSOPSQPQDCLN-AWEZNQCLSA-N 1 0 287.407 3.166 50 0 CGAARO Cc1cn2c3ccccc3n(CC[NH+]3CCCCC3)c2n1 ZINC000000447980 274824659 /nfs/dbraw/zinc/82/46/59/274824659.db2.gz MVQNIIXHBSZQMP-UHFFFAOYSA-N 1 0 282.391 3.083 50 0 CGAARO CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000021998155 275536037 /nfs/dbraw/zinc/53/60/37/275536037.db2.gz RZVLVYYINZOWAJ-JKSUJKDBSA-N 1 0 261.409 3.377 50 0 CGAARO CC(C)C[C@H](CNCc1c(F)cccc1F)[NH+](C)C ZINC000020201125 275596698 /nfs/dbraw/zinc/59/66/98/275596698.db2.gz NINYQBLGEZOXTH-GFCCVEGCSA-N 1 0 270.367 3.031 50 0 CGAARO CC(C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000170050471 275599640 /nfs/dbraw/zinc/59/96/40/275599640.db2.gz YINYIAXBMIXKKX-HZPDHXFCSA-N 1 0 274.408 3.114 50 0 CGAARO CN[C@H](CC[NH+]1CCCC1)c1ccccc1Cl ZINC000002580968 277041623 /nfs/dbraw/zinc/04/16/23/277041623.db2.gz KHFGTAUHOXBKHC-CQSZACIVSA-N 1 0 252.789 3.086 50 0 CGAARO COC(=O)c1cc2c(s1)C[N@@H+](C1CCCCC1)C2 ZINC000012357834 277153386 /nfs/dbraw/zinc/15/33/86/277153386.db2.gz WOHYVBIGEYZOCC-UHFFFAOYSA-N 1 0 265.378 3.183 50 0 CGAARO COC1(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CCOCC1 ZINC000090652617 277188067 /nfs/dbraw/zinc/18/80/67/277188067.db2.gz LUXOVOWBFGTIOH-GOEBONIOSA-N 1 0 289.419 3.329 50 0 CGAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000107058491 278686011 /nfs/dbraw/zinc/68/60/11/278686011.db2.gz CYMWBKDKJFWEDU-UXLLHSPISA-N 1 0 288.435 3.230 50 0 CGAARO CC(C)C[C@@H]([NH3+])C(O)(c1ccccc1)c1ccccc1 ZINC000005019582 278994709 /nfs/dbraw/zinc/99/47/09/278994709.db2.gz XECSMDWXBMBRDE-QGZVFWFLSA-N 1 0 269.388 3.296 50 0 CGAARO C[C@H](CC1CC1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082134854 279251025 /nfs/dbraw/zinc/25/10/25/279251025.db2.gz HGQZQSCBMPKHBB-CYBMUJFWSA-N 1 0 299.418 3.074 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1nccn1C ZINC000070443604 279510585 /nfs/dbraw/zinc/51/05/85/279510585.db2.gz QGSJQPGNXAKNEZ-SWLSCSKDSA-N 1 0 255.365 3.148 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000527678917 288187574 /nfs/dbraw/zinc/18/75/74/288187574.db2.gz WPCNPZJBTKWPHN-RMHZUWNSSA-N 1 0 296.418 3.353 50 0 CGAARO Cc1cc(C)c(-[n+]2cc3cccc(C)n3c2)c(C)c1 ZINC000038880234 280379751 /nfs/dbraw/zinc/37/97/51/280379751.db2.gz OFTYWHDNJVHNDO-UHFFFAOYSA-N 1 0 251.353 3.450 50 0 CGAARO Cc1cc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)n(C)n1 ZINC000055088420 301272047 /nfs/dbraw/zinc/27/20/47/301272047.db2.gz QZPDQBPKVPTCNX-AWEZNQCLSA-N 1 0 275.396 3.368 50 0 CGAARO O[C@]12CCCC[C@@H]1[C@@H](c1c(F)cccc1Cl)[NH2+]CC2 ZINC000004031359 304843880 /nfs/dbraw/zinc/84/38/80/304843880.db2.gz VRKYTJBOOFTEQT-ONERCXAPSA-N 1 0 283.774 3.435 50 0 CGAARO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(C)o1 ZINC000189502398 327779671 /nfs/dbraw/zinc/77/96/71/327779671.db2.gz IATBITGICPXFJN-ZMLRMANQSA-N 1 0 269.414 3.093 50 0 CGAARO Fc1cccc(-c2cc(C[NH2+][C@@H]3CCCSC3)on2)c1 ZINC000534669251 328346721 /nfs/dbraw/zinc/34/67/21/328346721.db2.gz IWUKXDWXHKNVHS-CYBMUJFWSA-N 1 0 292.379 3.466 50 0 CGAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000195571218 336056473 /nfs/dbraw/zinc/05/64/73/336056473.db2.gz ZULUJPYGZKRKET-OLZOCXBDSA-N 1 0 254.399 3.137 50 0 CGAARO C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1cnn(C)c1 ZINC000096494815 533794010 /nfs/dbraw/zinc/79/40/10/533794010.db2.gz SKDVWIISNFSECH-XOMBGVMMSA-N 1 0 273.355 3.156 50 0 CGAARO C[C@H](CCN1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000097657116 533904313 /nfs/dbraw/zinc/90/43/13/533904313.db2.gz LGBXTUNIOBZSCY-MRXNPFEDSA-N 1 0 272.436 3.350 50 0 CGAARO O=C(Nc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000016393325 534381379 /nfs/dbraw/zinc/38/13/79/534381379.db2.gz OAPUICLHMUOTCY-UHFFFAOYSA-N 1 0 287.407 3.169 50 0 CGAARO c1cn(-c2ncccc2C[NH2+]C2CCCCCCC2)cn1 ZINC000012304043 526527282 /nfs/dbraw/zinc/52/72/82/526527282.db2.gz WMYPWIMJNNVHRR-UHFFFAOYSA-N 1 0 284.407 3.470 50 0 CGAARO CC(=O)Nc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000000757556 526973556 /nfs/dbraw/zinc/97/35/56/526973556.db2.gz ZSGCUQCCWBAKED-BETUJISGSA-N 1 0 260.381 3.123 50 0 CGAARO CC[NH+]1CCC(Nc2ncnc3sc(C)c(C)c32)CC1 ZINC000007467345 528991076 /nfs/dbraw/zinc/99/10/76/528991076.db2.gz NIMONJBXKHUGLN-UHFFFAOYSA-N 1 0 290.436 3.204 50 0 CGAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000032869435 570410091 /nfs/dbraw/zinc/41/00/91/570410091.db2.gz WPUOFRRCHGGAPB-HNNXBMFYSA-N 1 0 286.419 3.297 50 0 CGAARO CCC[N@H+](CCc1ccccc1)Cc1[nH]cnc1C ZINC000952977379 614583797 /nfs/dbraw/zinc/58/37/97/614583797.db2.gz CFZCCODUNUVQNG-UHFFFAOYSA-N 1 0 257.381 3.173 50 0 CGAARO CC[C@H](C(=O)NC1(c2ccc(Cl)cc2)CC1)[N@H+](C)CC ZINC000952967899 615605593 /nfs/dbraw/zinc/60/55/93/615605593.db2.gz DCMULIKBRROZNG-CQSZACIVSA-N 1 0 294.826 3.176 50 0 CGAARO CCC(CC)([NH2+]CC(=O)NC1CC1)c1ccc(Cl)cc1 ZINC000103480460 618568202 /nfs/dbraw/zinc/56/82/02/618568202.db2.gz GTRFEEORRXOSKT-UHFFFAOYSA-N 1 0 294.826 3.224 50 0 CGAARO Cc1ccsc1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000005886005 619242364 /nfs/dbraw/zinc/24/23/64/619242364.db2.gz NFZHFYKQXOSLFU-UHFFFAOYSA-N 1 0 294.464 3.041 50 0 CGAARO C[C@H](C[C@H](C)SC1CCCC1)[NH2+]CCn1ccnc1 ZINC000888098164 619260107 /nfs/dbraw/zinc/26/01/07/619260107.db2.gz CBSLIQLVFRXLFQ-KGLIPLIRSA-N 1 0 281.469 3.316 50 0 CGAARO CCOCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000863982575 629721724 /nfs/dbraw/zinc/72/17/24/629721724.db2.gz UILDLWGNDUFPLP-GFCCVEGCSA-N 1 0 260.337 3.029 50 0 CGAARO CO[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000581803507 799674167 /nfs/dbraw/zinc/67/41/67/799674167.db2.gz NHYOTMJCMHAXQT-KRWDZBQOSA-N 1 0 287.403 3.013 50 0 CGAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)c2ccsc2)CC1 ZINC000581811319 799675035 /nfs/dbraw/zinc/67/50/35/799675035.db2.gz UMSFGYWYJTYVNX-UHFFFAOYSA-N 1 0 292.448 3.085 50 0 CGAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)C2CCCCC2)CC1 ZINC000581811048 799675053 /nfs/dbraw/zinc/67/50/53/799675053.db2.gz MHSQITBBJPKNJI-UHFFFAOYSA-N 1 0 292.467 3.290 50 0 CGAARO C[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)C1 ZINC000585117149 799678013 /nfs/dbraw/zinc/67/80/13/799678013.db2.gz SDOYGJOEKQMTPA-JSGCOSHPSA-N 1 0 270.376 3.196 50 0 CGAARO C1=CC[C@@H](C[N@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC000820403437 800454571 /nfs/dbraw/zinc/45/45/71/800454571.db2.gz HAFRQGUGBPUMCX-SJORKVTESA-N 1 0 262.441 3.293 50 0 CGAARO CC[C@@H](C)Oc1ccccc1C[N@H+](C)CC1(C)COC1 ZINC000822645474 800463779 /nfs/dbraw/zinc/46/37/79/800463779.db2.gz KTSGNBIARZPEDX-CQSZACIVSA-N 1 0 277.408 3.332 50 0 CGAARO COCCCC1CC[NH+](CC[C@@H]2CC2(F)F)CC1 ZINC000824385260 800471472 /nfs/dbraw/zinc/47/14/72/800471472.db2.gz YTWZWSLUVRKXKR-CYBMUJFWSA-N 1 0 261.356 3.170 50 0 CGAARO CCc1nccn1CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000952869199 800685201 /nfs/dbraw/zinc/68/52/01/800685201.db2.gz LYPFNHSHRWFYAL-OAHLLOKOSA-N 1 0 271.408 3.229 50 0 CGAARO Cc1cnc(-c2ccccc2)n1C1C[NH+](CC2CC2)C1 ZINC000409420975 932025125 /nfs/dbraw/zinc/02/51/25/932025125.db2.gz QGEHGKRRUAWCBE-UHFFFAOYSA-N 1 0 267.376 3.125 50 0 CGAARO Fc1ccc(C[NH2+]C2CSCCSC2)cc1Cl ZINC001506401377 937989737 /nfs/dbraw/zinc/98/97/37/937989737.db2.gz ZLNJAAJVUFIIPY-UHFFFAOYSA-N 1 0 291.844 3.417 50 0 CGAARO CC[N@H+](C)C1(CNc2nc(C)cnc2C)CCCCC1 ZINC001506396492 937989357 /nfs/dbraw/zinc/98/93/57/937989357.db2.gz IZZGBGIEVGDBAB-UHFFFAOYSA-N 1 0 276.428 3.160 50 0 CGAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccco3)C2)c1OC ZINC001506421310 937990222 /nfs/dbraw/zinc/99/02/22/937990222.db2.gz FGJAYVXPKFSRNT-CYBMUJFWSA-N 1 0 287.359 3.286 50 0 CGAARO CCn1cnnc1C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC001529168657 938071453 /nfs/dbraw/zinc/07/14/53/938071453.db2.gz KCTILEKLSLNBHO-QGZVFWFLSA-N 1 0 298.434 3.285 50 0 CGAARO Cc1ccc(OC[C@H]2CCC[N@H+](CCc3ncc[nH]3)C2)cc1 ZINC001529186467 938071620 /nfs/dbraw/zinc/07/16/20/938071620.db2.gz FWUYOPRJHIVUNC-INIZCTEOSA-N 1 0 299.418 3.052 50 0 CGAARO O=Cc1cccc(OCCCC[NH+]2CCCCC2)c1 ZINC000002845651 230367571 /nfs/dbraw/zinc/36/75/71/230367571.db2.gz ZTQQZJZQLIONMD-UHFFFAOYSA-N 1 0 261.365 3.144 50 0 CGAARO CC[N@@H+]1CCC(c2ccccc2)=C(C(=O)OC(C)C)C1 ZINC000095918271 185030843 /nfs/dbraw/zinc/03/08/43/185030843.db2.gz FCTMGLOGMBJLOC-UHFFFAOYSA-N 1 0 273.376 3.117 50 0 CGAARO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000095968333 185046170 /nfs/dbraw/zinc/04/61/70/185046170.db2.gz VSLIYFHEASXTKQ-DOMZBBRYSA-N 1 0 268.376 3.059 50 0 CGAARO COc1ccc([C@H](C)C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000095986773 185055926 /nfs/dbraw/zinc/05/59/26/185055926.db2.gz MPIPCQLTAVKIJU-VYDXJSESSA-N 1 0 290.451 3.213 50 0 CGAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000095990124 185057788 /nfs/dbraw/zinc/05/77/88/185057788.db2.gz ZBMYZPVYYMFPQW-NEPJUHHUSA-N 1 0 254.399 3.055 50 0 CGAARO C[NH+](C)C[C@H]1CCCC[C@]1(O)c1cccc(Cl)c1 ZINC000002383259 282133952 /nfs/dbraw/zinc/13/39/52/282133952.db2.gz YCYVEJKHHUUACO-HIFRSBDPSA-N 1 0 267.800 3.279 50 0 CGAARO Cc1cc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)ccc1Cl ZINC000000166966 344854537 /nfs/dbraw/zinc/85/45/37/344854537.db2.gz XKWDOTOHUYKZSX-KGLIPLIRSA-N 1 0 297.826 3.263 50 0 CGAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000002498878 344857465 /nfs/dbraw/zinc/85/74/65/344857465.db2.gz PCJMEFIZNDUAHS-GZBFAFLISA-N 1 0 282.428 3.022 50 0 CGAARO NC(=[NH2+])S[C@H]1c2ccccc2COc2ccccc21 ZINC000005604767 344861827 /nfs/dbraw/zinc/86/18/27/344861827.db2.gz NNJHAWQRWSNYBT-AWEZNQCLSA-N 1 0 270.357 3.295 50 0 CGAARO CSc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc1 ZINC000043164434 344995326 /nfs/dbraw/zinc/99/53/26/344995326.db2.gz PDAYATZXUZFRMY-CZUORRHYSA-N 1 0 276.449 3.077 50 0 CGAARO CCC[NH+](CCC)Cn1c2ccccc2sc1=O ZINC000075284132 345500001 /nfs/dbraw/zinc/50/00/01/345500001.db2.gz MNBNWGBANQNYFW-UHFFFAOYSA-N 1 0 264.394 3.143 50 0 CGAARO Clc1ccc(Nc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000075279955 345500027 /nfs/dbraw/zinc/50/00/27/345500027.db2.gz LITOWHMBDBQZRR-UHFFFAOYSA-N 1 0 289.766 3.315 50 0 CGAARO O=C1c2ccccc2OC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC000096026778 345901762 /nfs/dbraw/zinc/90/17/62/345901762.db2.gz ZNOXNVPRZVIWQV-INIZCTEOSA-N 1 0 295.382 3.100 50 0 CGAARO CCCC[NH2+]C[C@H]1CCc2ccc(CC)cc2C1=O ZINC000096026819 345902041 /nfs/dbraw/zinc/90/20/41/345902041.db2.gz CCYWDZZHZPFEFP-OAHLLOKOSA-N 1 0 259.393 3.384 50 0 CGAARO C(COC1CCCCCC1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000155887213 346155986 /nfs/dbraw/zinc/15/59/86/346155986.db2.gz LCGONAGQZRYOBY-UHFFFAOYSA-N 1 0 297.439 3.001 50 0 CGAARO CC(C)=CCC[C@H](C)CC[NH+]1CCC(NC(C)=O)CC1 ZINC000170616043 346195650 /nfs/dbraw/zinc/19/56/50/346195650.db2.gz IAWPWQDTWDRQRB-HNNXBMFYSA-N 1 0 280.456 3.360 50 0 CGAARO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)[C@@H](c2ccco2)C1 ZINC000195554292 346272857 /nfs/dbraw/zinc/27/28/57/346272857.db2.gz ZHFBAGLAWAQLLB-UNEWFSDZSA-N 1 0 298.386 3.279 50 0 CGAARO COC1(C[NH2+]C[C@H](C)c2cccc(Cl)c2)CCOCC1 ZINC000195573412 346274584 /nfs/dbraw/zinc/27/45/84/346274584.db2.gz JUEOLQRZMHOILI-ZDUSSCGKSA-N 1 0 297.826 3.229 50 0 CGAARO Cc1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000245339371 346352955 /nfs/dbraw/zinc/35/29/55/346352955.db2.gz SGZQGEBNKIBDOQ-NWANDNLSSA-N 1 0 292.448 3.197 50 0 CGAARO FC(F)(F)c1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247693983 346372315 /nfs/dbraw/zinc/37/23/15/346372315.db2.gz YASUGNQSGOXDMS-HNNXBMFYSA-N 1 0 298.352 3.376 50 0 CGAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000248120821 346373621 /nfs/dbraw/zinc/37/36/21/346373621.db2.gz KCKYRSKPPJTFQJ-WDEREUQCSA-N 1 0 298.839 3.100 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000248136960 346374245 /nfs/dbraw/zinc/37/42/45/346374245.db2.gz OWAIIRRCFFIFEC-HUUCEWRRSA-N 1 0 292.810 3.039 50 0 CGAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000253370242 346394429 /nfs/dbraw/zinc/39/44/29/346394429.db2.gz ODDRWAQINKKTBV-RNJTYBCJSA-N 1 0 289.419 3.261 50 0 CGAARO CC1(C)C[N@H+](Cc2cc[nH]c2)Cc2ccccc2O1 ZINC000290149030 346424649 /nfs/dbraw/zinc/42/46/49/346424649.db2.gz KZJHARYIMVSHBQ-UHFFFAOYSA-N 1 0 256.349 3.188 50 0 CGAARO Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCCSC2)cn1 ZINC000584897449 346723029 /nfs/dbraw/zinc/72/30/29/346723029.db2.gz OUOQNTTZAPLGLN-OAHLLOKOSA-N 1 0 287.432 3.166 50 0 CGAARO Cc1nocc1[C@@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000585134609 346724474 /nfs/dbraw/zinc/72/44/74/346724474.db2.gz BVZVQLBBEINCOC-DOMZBBRYSA-N 1 0 289.379 3.064 50 0 CGAARO O[C@@H]1CC[C@@H]1[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000601012555 347852102 /nfs/dbraw/zinc/85/21/02/347852102.db2.gz KZHPUOOVICRESI-ZWKOTPCHSA-N 1 0 267.372 3.212 50 0 CGAARO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000090858065 180047215 /nfs/dbraw/zinc/04/72/15/180047215.db2.gz AGBAYERCPNQLQL-ZLIFDBKOSA-N 1 0 290.407 3.253 50 0 CGAARO Cc1c(C[NH2+][C@@H](C)c2cnc3ccsc3c2)cnn1C ZINC000090887840 180053754 /nfs/dbraw/zinc/05/37/54/180053754.db2.gz BBPDRCIZWXTDME-JTQLQIEISA-N 1 0 286.404 3.189 50 0 CGAARO C[N@@H+](Cc1ccc(F)c(Cl)c1)C[C@@H]1CCCCO1 ZINC000092427724 180382941 /nfs/dbraw/zinc/38/29/41/180382941.db2.gz XYWUYWJWSGDZAZ-LBPRGKRZSA-N 1 0 271.763 3.480 50 0 CGAARO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000106861041 186142318 /nfs/dbraw/zinc/14/23/18/186142318.db2.gz LYXTWSAOPMYMMF-CRAIPNDOSA-N 1 0 296.418 3.422 50 0 CGAARO FC(F)(F)c1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000071708077 282922652 /nfs/dbraw/zinc/92/26/52/282922652.db2.gz HHMHRPFIBMWVAJ-UHFFFAOYSA-N 1 0 278.277 3.413 50 0 CGAARO Nc1cc[nH+]c2c1cccc2-c1ccc2c(c1)OCCO2 ZINC000426690564 283275239 /nfs/dbraw/zinc/27/52/39/283275239.db2.gz JDJUNZJWVQGXLR-UHFFFAOYSA-N 1 0 278.311 3.086 50 0 CGAARO CCCc1nc(C[N@@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342014301 216188694 /nfs/dbraw/zinc/18/86/94/216188694.db2.gz GTDMFFKZPNOHAH-CQSZACIVSA-N 1 0 282.453 3.223 50 0 CGAARO C[C@@H](CCc1cccc(F)c1)[N@H+](C)Cc1cnccn1 ZINC000183202484 189349533 /nfs/dbraw/zinc/34/95/33/189349533.db2.gz DKRSZHDOYDCDSH-ZDUSSCGKSA-N 1 0 273.355 3.069 50 0 CGAARO CC1(C)C[C@H]([C@@H](CC[NH3+])Cc2ccccc2)CCO1 ZINC000000244188 368324554 /nfs/dbraw/zinc/32/45/54/368324554.db2.gz IGPXGEIGHLYILV-JKSUJKDBSA-N 1 0 261.409 3.399 50 0 CGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C(C)(C)C)c2ccccc12 ZINC000000205547 368315883 /nfs/dbraw/zinc/31/58/83/368315883.db2.gz LJVLMQQEADLEEU-AWEZNQCLSA-N 1 0 274.408 3.007 50 0 CGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000000239763 368321856 /nfs/dbraw/zinc/32/18/56/368321856.db2.gz IYEMTLQFPAALIQ-CYBMUJFWSA-N 1 0 281.783 3.115 50 0 CGAARO Cn1c2ccccc2[n+](C)c1-c1ccc2ccccc2n1 ZINC000000242379 368323162 /nfs/dbraw/zinc/32/31/62/368323162.db2.gz HLAGEPVYLFIEGT-UHFFFAOYSA-N 1 0 274.347 3.218 50 0 biogenic CGAARO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000152106 368303420 /nfs/dbraw/zinc/30/34/20/368303420.db2.gz RUFFHEHNXUMTFZ-UHFFFAOYSA-N 1 0 275.179 3.274 50 0 CGAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc1C(C)C ZINC000000246932 368324325 /nfs/dbraw/zinc/32/43/25/368324325.db2.gz RGNKIBMPHPXRRE-CQSZACIVSA-N 1 0 279.424 3.246 50 0 CGAARO Clc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000000350283 368345536 /nfs/dbraw/zinc/34/55/36/368345536.db2.gz MDUBCBQYZLTKFR-UHFFFAOYSA-N 1 0 275.735 3.359 50 0 CGAARO c1ccc2oc(SCC[NH+]3CCCCC3)nc2c1 ZINC000002038244 368444253 /nfs/dbraw/zinc/44/42/53/368444253.db2.gz OUGDZVINUSJPCU-UHFFFAOYSA-N 1 0 262.378 3.406 50 0 CGAARO CC1=C[C@@H](C)C(=O)N(CC[N@H+]2C[C@@H](C)CC2(C)C)C(C)=C1 ZINC000002039342 368444670 /nfs/dbraw/zinc/44/46/70/368444670.db2.gz CEDKAQMVBJYYBM-LSDHHAIUSA-N 1 0 290.451 3.435 50 0 CGAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000002686909 368472960 /nfs/dbraw/zinc/47/29/60/368472960.db2.gz CUDWOFARGHVODJ-FUHWJXTLSA-N 1 0 299.414 3.394 50 0 CGAARO CCCC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000002764931 368476439 /nfs/dbraw/zinc/47/64/39/368476439.db2.gz APYZFXCTLGOFNE-UHFFFAOYSA-N 1 0 268.788 3.401 50 0 CGAARO CC[C@H](C)[NH2+]CCCOc1ccc(C)cc1OC ZINC000002825104 368480139 /nfs/dbraw/zinc/48/01/39/368480139.db2.gz NBUUBKJCYDCELR-ZDUSSCGKSA-N 1 0 251.370 3.161 50 0 CGAARO CC(C)(C)[NH2+]CCOc1ccc(Br)cc1 ZINC000002930873 368486154 /nfs/dbraw/zinc/48/61/54/368486154.db2.gz IYSLRWSSGGOKEY-UHFFFAOYSA-N 1 0 272.186 3.216 50 0 CGAARO CC[NH+](CC)CCOCCOc1ccccc1Cl ZINC000002896794 368486201 /nfs/dbraw/zinc/48/62/01/368486201.db2.gz LWZVZYSWCORUQY-UHFFFAOYSA-N 1 0 271.788 3.077 50 0 CGAARO CC1=C[C@H](C)[C@H]2CO[C@@H](c3ccc[n+](C)c3)[C@@H]1[C@H]2C ZINC000004027165 368527264 /nfs/dbraw/zinc/52/72/64/368527264.db2.gz JHAJBRWIERGXKC-CTTHYATASA-N 1 0 258.385 3.047 50 0 biogenic CGAARO [NH3+]CCCCC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000004237852 368537727 /nfs/dbraw/zinc/53/77/27/368537727.db2.gz QTPAKWYRDDFXGJ-GFCCVEGCSA-N 1 0 261.287 3.258 50 0 CGAARO Cc1sc(-c2ccccc2)c2nc(C)cc(C)[n+]12 ZINC000004263374 368539000 /nfs/dbraw/zinc/53/90/00/368539000.db2.gz GVWQFBJWLXVEEO-UHFFFAOYSA-N 1 0 255.366 3.474 50 0 CGAARO Cc1cccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1C ZINC000004304991 368542042 /nfs/dbraw/zinc/54/20/42/368542042.db2.gz OGZIHNLLDVLFQT-HLLBOEOZSA-N 1 0 291.435 3.306 50 0 CGAARO Cc1ccc(C(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000004552914 368551023 /nfs/dbraw/zinc/55/10/23/368551023.db2.gz ZEFKAOCINHDRSC-AWEZNQCLSA-N 1 0 261.365 3.026 50 0 CGAARO CCOc1c(C[NH2+]C[C@@H]2CCCO2)cc(Cl)cc1OC ZINC000010474430 368581974 /nfs/dbraw/zinc/58/19/74/368581974.db2.gz DIQFSTTUSXLNCE-ZDUSSCGKSA-N 1 0 299.798 3.016 50 0 CGAARO c1ccc(-c2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC000012137822 368604087 /nfs/dbraw/zinc/60/40/87/368604087.db2.gz OYQXDIZBRYDJNU-UHFFFAOYSA-N 1 0 253.345 3.484 50 0 CGAARO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012381427 368610738 /nfs/dbraw/zinc/61/07/38/368610738.db2.gz ZSGRHQGIIFHIJM-UHFFFAOYSA-N 1 0 288.435 3.203 50 0 CGAARO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COC1CCCC1 ZINC000012384482 368612032 /nfs/dbraw/zinc/61/20/32/368612032.db2.gz PLNAODMKDURMGU-CQSZACIVSA-N 1 0 283.456 3.350 50 0 CGAARO CCCC[C@H](CC)[C@@H]1OC[C@@H](C[NH+]2CCCC2)O1 ZINC000013153790 368644739 /nfs/dbraw/zinc/64/47/39/368644739.db2.gz YGCPCVLTZNXDDJ-RRFJBIMHSA-N 1 0 255.402 3.040 50 0 CGAARO Cc1scc(C(=O)NCC[NH+](C)C)c1-c1ccccc1 ZINC000016602950 368715817 /nfs/dbraw/zinc/71/58/17/368715817.db2.gz TZYGCPYBUGXMEA-UHFFFAOYSA-N 1 0 288.416 3.015 50 0 CGAARO CCC[NH+]1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000016603252 368716480 /nfs/dbraw/zinc/71/64/80/368716480.db2.gz UEPUEAQPQTUFCH-UHFFFAOYSA-N 1 0 298.789 3.083 50 0 CGAARO C[NH+](C)C1(CNC(=O)c2ccccc2)CCCCCC1 ZINC000014903397 368687202 /nfs/dbraw/zinc/68/72/02/368687202.db2.gz OXNUBOYMPNTXFS-UHFFFAOYSA-N 1 0 274.408 3.071 50 0 CGAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000014967198 368687593 /nfs/dbraw/zinc/68/75/93/368687593.db2.gz PHYMOCXBGILPDH-CQSZACIVSA-N 1 0 273.376 3.142 50 0 CGAARO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc2ccccc21 ZINC000017316345 368730989 /nfs/dbraw/zinc/73/09/89/368730989.db2.gz XCVJIXXDXCFBNJ-CYBMUJFWSA-N 1 0 265.360 3.424 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2F)cc1 ZINC000019721052 368761571 /nfs/dbraw/zinc/76/15/71/368761571.db2.gz FNZDGGULSZWIDM-UHFFFAOYSA-N 1 0 259.324 3.167 50 0 CGAARO CC[C@@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019831773 368768783 /nfs/dbraw/zinc/76/87/83/368768783.db2.gz XJPHSHBYRHYGFQ-CYBMUJFWSA-N 1 0 266.816 3.256 50 0 CGAARO Clc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019363630 368749387 /nfs/dbraw/zinc/74/93/87/368749387.db2.gz UZKBSZSTDQSMDR-QGZVFWFLSA-N 1 0 286.806 3.335 50 0 in-vitro CGAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019367331 368749432 /nfs/dbraw/zinc/74/94/32/368749432.db2.gz RACYVLBFNZFEKP-CYBMUJFWSA-N 1 0 266.816 3.256 50 0 CGAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000020102914 368801792 /nfs/dbraw/zinc/80/17/92/368801792.db2.gz XRVOPRVTJLJEMR-HNNXBMFYSA-N 1 0 288.435 3.122 50 0 CGAARO CC[C@H](C)c1ccccc1OCCC[NH+]1CCN(C)CC1 ZINC000020118718 368804087 /nfs/dbraw/zinc/80/40/87/368804087.db2.gz YMUJKVDHPFDDKT-INIZCTEOSA-N 1 0 290.451 3.216 50 0 CGAARO COc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000019903213 368777553 /nfs/dbraw/zinc/77/75/53/368777553.db2.gz MUYYJXFCZXKCEQ-GFCCVEGCSA-N 1 0 285.343 3.275 50 0 CGAARO Cc1cc(C)c(OCC[NH2+][C@@H]2CCSC2)c(C)c1 ZINC000032507916 368933719 /nfs/dbraw/zinc/93/37/19/368933719.db2.gz GYGQQUHHPYSTQD-CQSZACIVSA-N 1 0 265.422 3.086 50 0 CGAARO CCN(CC)[C@H](C[NH2+]Cc1ccc(C)o1)c1ccco1 ZINC000032547725 368935338 /nfs/dbraw/zinc/93/53/38/368935338.db2.gz OHCHPUDYFQQEBL-OAHLLOKOSA-N 1 0 276.380 3.354 50 0 CGAARO CC[NH+](CC)CCN(C)C/C(C)=C\c1ccccc1 ZINC000033394684 368963547 /nfs/dbraw/zinc/96/35/47/368963547.db2.gz NSDIWGCCBWLDNR-PEZBUJJGSA-N 1 0 260.425 3.364 50 0 CGAARO c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000036961183 369043270 /nfs/dbraw/zinc/04/32/70/369043270.db2.gz SLDOUVWYXSDFHA-UHFFFAOYSA-N 1 0 253.349 3.163 50 0 CGAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1)CCO2 ZINC000037187745 369075635 /nfs/dbraw/zinc/07/56/35/369075635.db2.gz KFGACUPDHORNFY-MRXNPFEDSA-N 1 0 269.344 3.309 50 0 CGAARO COc1ccc(-c2cnc(C[NH+]3CCCCC3)o2)cc1 ZINC000041362288 369182867 /nfs/dbraw/zinc/18/28/67/369182867.db2.gz ICDLXDROMPPSOU-UHFFFAOYSA-N 1 0 272.348 3.336 50 0 CGAARO Cc1ccccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000042104261 369200342 /nfs/dbraw/zinc/20/03/42/369200342.db2.gz PNXGUXSUQUCPQE-UHFFFAOYSA-N 1 0 287.432 3.164 50 0 CGAARO Brc1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772659 369230708 /nfs/dbraw/zinc/23/07/08/369230708.db2.gz NSXJUOCUUQBLAM-LLVKDONJSA-N 1 0 284.197 3.218 50 0 CGAARO Brc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042772897 369230746 /nfs/dbraw/zinc/23/07/46/369230746.db2.gz PSAXWCKDMMFKQS-NSHDSACASA-N 1 0 284.197 3.218 50 0 CGAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000048288900 369340231 /nfs/dbraw/zinc/34/02/31/369340231.db2.gz DSEYULQGXJHJHQ-UONOGXRCSA-N 1 0 292.448 3.144 50 0 CGAARO CCOc1cccc(C[N@H+](CCO)CCc2ccccc2)c1 ZINC000055036731 369509547 /nfs/dbraw/zinc/50/95/47/369509547.db2.gz RWNJIJUZMDDNSO-UHFFFAOYSA-N 1 0 299.414 3.122 50 0 CGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000054174493 369496878 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CCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc21 ZINC000000262678 169590752 /nfs/dbraw/zinc/59/07/52/169590752.db2.gz MYUMOTPLLNWDFD-UHFFFAOYSA-O 1 0 294.378 3.205 50 0 CGAARO CC1=C[C@@H](C)C2(COC(c3ccc[n+](C)c3)OC2)[C@H](C)C1 ZINC000000273317 169594290 /nfs/dbraw/zinc/59/42/90/169594290.db2.gz YLPVKFCCZWGVGJ-RCDYEMGKSA-N 1 0 288.411 3.165 50 0 CGAARO C[C@H]([NH3+])Cc1ccccc1Sc1ccc(O)cc1 ZINC000000347799 169613666 /nfs/dbraw/zinc/61/36/66/169613666.db2.gz OIKIFYSCQKTWEY-NSHDSACASA-N 1 0 259.374 3.433 50 0 CGAARO Brc1cccc(C[NH2+]Cc2ccccn2)c1 ZINC000000360460 169616790 /nfs/dbraw/zinc/61/67/90/169616790.db2.gz OXMJFYVUYPQUFQ-UHFFFAOYSA-N 1 0 277.165 3.134 50 0 CGAARO OCC[N@H+](Cc1cccs1)Cc1ccnc2ccccc12 ZINC000065528733 392148413 /nfs/dbraw/zinc/14/84/13/392148413.db2.gz XUGGLCHHDZZYSQ-UHFFFAOYSA-N 1 0 298.411 3.291 50 0 CGAARO CC(C)[N@@H+]1CCC[C@@H](c2ccc(Br)cn2)C1 ZINC000072343674 392205605 /nfs/dbraw/zinc/20/56/05/392205605.db2.gz VKFYBJXPLAPODW-LLVKDONJSA-N 1 0 283.213 3.432 50 0 CGAARO COc1ccc([C@H]2C[C@@H](C)[N@H+](CCCCCO)C2)cc1 ZINC000096415678 392251657 /nfs/dbraw/zinc/25/16/57/392251657.db2.gz BQJYZUIOPILOFO-ZBFHGGJFSA-N 1 0 277.408 3.036 50 0 CGAARO CCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccccc2)no1 ZINC000361794809 392323334 /nfs/dbraw/zinc/32/33/34/392323334.db2.gz BYDJOKDISHEDPV-AWEZNQCLSA-N 1 0 271.364 3.207 50 0 CGAARO CC[C@H](O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000126960526 392445130 /nfs/dbraw/zinc/44/51/30/392445130.db2.gz RRNNAAWVNAXBGH-RDJZCZTQSA-N 1 0 288.366 3.013 50 0 CGAARO C[NH+](C)C1CCN(c2ccc(F)cc2C(F)(F)F)CC1 ZINC000169725637 392609836 /nfs/dbraw/zinc/60/98/36/392609836.db2.gz GLVVDRUARJWCFC-UHFFFAOYSA-N 1 0 290.304 3.375 50 0 CGAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000221701660 393007826 /nfs/dbraw/zinc/00/78/26/393007826.db2.gz QEWJAAFRQLWWKR-SCVPAZLYSA-N 1 0 263.356 3.074 50 0 CGAARO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000241930344 393037206 /nfs/dbraw/zinc/03/72/06/393037206.db2.gz UHVIJHIHMJUMTK-ZJIFWQFVSA-N 1 0 293.451 3.224 50 0 CGAARO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1c1ccc2c(c1)OCO2 ZINC000019301128 285524480 /nfs/dbraw/zinc/52/44/80/285524480.db2.gz ZLAJKSCIINOCQJ-KRWDZBQOSA-N 1 0 292.338 3.132 50 0 biogenic CGAARO CCn1[nH+]c(C)c2ccc3c4c(cc(C=O)c1c42)CC3 ZINC000670417814 543153809 /nfs/dbraw/zinc/15/38/09/543153809.db2.gz JEHFHGWHSRFNDA-UHFFFAOYSA-N 1 0 264.328 3.429 50 0 CGAARO Cc1cccc([C@@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)c1 ZINC000670462521 543156330 /nfs/dbraw/zinc/15/63/30/543156330.db2.gz ZZEJHAXZNDBVDZ-QGZVFWFLSA-N 1 0 281.403 3.473 50 0 CGAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)[C@@H]1CCSC1 ZINC000670454845 543155404 /nfs/dbraw/zinc/15/54/04/543155404.db2.gz YCKIDURHAATSEH-CYBMUJFWSA-N 1 0 264.369 3.244 50 0 CGAARO C[N@@H+](Cc1[nH]c2ccccc2c1Cl)C[C@H]1CCOC1 ZINC000670473648 543157650 /nfs/dbraw/zinc/15/76/50/543157650.db2.gz IBWGACSYSMPXLU-LLVKDONJSA-N 1 0 278.783 3.290 50 0 CGAARO C=Cc1cccc(C[N@H+](C)CCC2(O)CCCC2)c1 ZINC000670472057 543156664 /nfs/dbraw/zinc/15/66/64/543156664.db2.gz MUACGEXTBLUCNL-UHFFFAOYSA-N 1 0 259.393 3.457 50 0 CGAARO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(O)c1)C[C@H](C)O2 ZINC000011968620 397604232 /nfs/dbraw/zinc/60/42/32/397604232.db2.gz RHXBNXBKMXKYJP-AWEZNQCLSA-N 1 0 283.371 3.484 50 0 CGAARO CCCNC(=O)c1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000047794031 397635116 /nfs/dbraw/zinc/63/51/16/397635116.db2.gz VBZXMTOESXPGPJ-UHFFFAOYSA-N 1 0 288.416 3.178 50 0 CGAARO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000047934434 397636096 /nfs/dbraw/zinc/63/60/96/397636096.db2.gz QYRLVVRTAAUITG-UHFFFAOYSA-N 1 0 290.338 3.269 50 0 CGAARO c1nc2n(c1C[NH2+][C@@H]1CCCOc3ccccc31)CCCC2 ZINC000367439759 296646919 /nfs/dbraw/zinc/64/69/19/296646919.db2.gz WURCYIZFGYQQAI-MRXNPFEDSA-N 1 0 297.402 3.223 50 0 CGAARO COc1cccc(OC)c1OCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002822535 169834480 /nfs/dbraw/zinc/83/44/80/169834480.db2.gz HKDQTSCBHMQMJE-CQSZACIVSA-N 1 0 293.407 3.205 50 0 CGAARO C/C=C/c1ccc(OCC[NH2+][C@H](C)CC)c(OC)c1 ZINC000002823931 169834862 /nfs/dbraw/zinc/83/48/62/169834862.db2.gz JEHZDJMLLHHFOG-VUDGCMKMSA-N 1 0 263.381 3.495 50 0 CGAARO Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004724498 170006238 /nfs/dbraw/zinc/00/62/38/170006238.db2.gz XHXLAZLJYDRIJF-OKILXGFUSA-N 1 0 274.408 3.302 50 0 CGAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCCCC1 ZINC000004725484 170006862 /nfs/dbraw/zinc/00/68/62/170006862.db2.gz OZTGSFZBDAQIMQ-UHFFFAOYSA-N 1 0 292.467 3.291 50 0 CGAARO C[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000004785343 170016680 /nfs/dbraw/zinc/01/66/80/170016680.db2.gz XQJWQRIAJQOCBB-LBPRGKRZSA-N 1 0 256.349 3.083 50 0 CGAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000004860310 170031984 /nfs/dbraw/zinc/03/19/84/170031984.db2.gz QZDYHBJQXDADBH-BETUJISGSA-N 1 0 270.376 3.329 50 0 CGAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000004860311 170032335 /nfs/dbraw/zinc/03/23/35/170032335.db2.gz QZDYHBJQXDADBH-STQMWFEESA-N 1 0 270.376 3.329 50 0 CGAARO COc1cccc(C[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000004891745 170036942 /nfs/dbraw/zinc/03/69/42/170036942.db2.gz UCQDMDJIYCLWPH-UHFFFAOYSA-N 1 0 287.359 3.002 50 0 CGAARO CCn1c2ccccc2c2cc(C[NH2+]C[C@@H](C)O)ccc21 ZINC000004942791 170042985 /nfs/dbraw/zinc/04/29/85/170042985.db2.gz FPTCVGWGLCWRBK-CYBMUJFWSA-N 1 0 282.387 3.285 50 0 CGAARO C[C@H](O)C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942966 170043589 /nfs/dbraw/zinc/04/35/89/170043589.db2.gz JGIOORNBPKXPNW-VIFPVBQESA-N 1 0 283.730 3.210 50 0 CGAARO CCOc1ccccc1OCC[NH+]1CCCCCC1 ZINC000004978693 170047902 /nfs/dbraw/zinc/04/79/02/170047902.db2.gz IKZFKGNQDHLGGD-UHFFFAOYSA-N 1 0 263.381 3.340 50 0 CGAARO CCOc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000005019182 170056649 /nfs/dbraw/zinc/05/66/49/170056649.db2.gz UOIUBDZSJHUZRM-UHFFFAOYSA-N 1 0 285.343 3.104 50 0 CGAARO CC[NH+](CC)CCNc1nc(C)nc2c3ccccc3oc21 ZINC000005216011 170076455 /nfs/dbraw/zinc/07/64/55/170076455.db2.gz UQNLEXTYVZUBGJ-UHFFFAOYSA-N 1 0 298.390 3.438 50 0 CGAARO CC[NH+](CC)CCCNC(=O)c1cc(C)nc2ccccc21 ZINC000005274457 170082165 /nfs/dbraw/zinc/08/21/65/170082165.db2.gz XBAZRDCNOJKYLY-UHFFFAOYSA-N 1 0 299.418 3.005 50 0 CGAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000005968043 170164381 /nfs/dbraw/zinc/16/43/81/170164381.db2.gz PRYBYAYBIFXKDM-AEFFLSMTSA-N 1 0 299.414 3.394 50 0 CGAARO C[C@@H](NC(=O)C[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000006587430 170216845 /nfs/dbraw/zinc/21/68/45/170216845.db2.gz JTEZTGWSTKDUGH-CQSZACIVSA-N 1 0 274.408 3.128 50 0 CGAARO CCC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000006699874 170228713 /nfs/dbraw/zinc/22/87/13/170228713.db2.gz PQXUWMBIBCWNLC-UHFFFAOYSA-N 1 0 295.814 3.208 50 0 CGAARO COc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000007736214 170299818 /nfs/dbraw/zinc/29/98/18/170299818.db2.gz ADWNWVGWJWAYQQ-UHFFFAOYSA-N 1 0 293.370 3.171 50 0 CGAARO Nc1ccc(C23C[C@H]4C[C@H](CC(C[NH3+])(C4)C2)C3)cc1 ZINC000008553084 170339752 /nfs/dbraw/zinc/33/97/52/170339752.db2.gz ZWVBCHYHTFPNHV-ZPVISIIKSA-N 1 0 256.393 3.066 50 0 CGAARO CC[C@@H](C)[NH2+]CCCCOc1cccc(OC)c1 ZINC000008749827 170354176 /nfs/dbraw/zinc/35/41/76/170354176.db2.gz BYMZDBCEEOMNBX-CYBMUJFWSA-N 1 0 251.370 3.242 50 0 CGAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+](C)C ZINC000008804257 170356551 /nfs/dbraw/zinc/35/65/51/170356551.db2.gz PPXAADQGSVUXSP-UHFFFAOYSA-N 1 0 264.756 3.272 50 0 CGAARO CC[NH+](CC)CCOc1ccc(N)cc1C(F)(F)F ZINC000014630164 170639770 /nfs/dbraw/zinc/63/97/70/170639770.db2.gz ZNGXQWKKMGONJQ-UHFFFAOYSA-N 1 0 276.302 3.008 50 0 CGAARO CC[NH+]1CCN(CCCOc2ccc(C)cc2Cl)CC1 ZINC000020389754 171178800 /nfs/dbraw/zinc/17/88/00/171178800.db2.gz FVTHRAFQPWJZMD-UHFFFAOYSA-N 1 0 296.842 3.055 50 0 CGAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000020419053 171183724 /nfs/dbraw/zinc/18/37/24/171183724.db2.gz CEIMNJLAYFXAQO-WBMJQRKESA-N 1 0 259.324 3.037 50 0 CGAARO CCCC[N@H+](C)CCNc1[nH]c(=S)nc2ccccc21 ZINC000020645995 171269004 /nfs/dbraw/zinc/26/90/04/171269004.db2.gz HBXUKYHDSBPWIY-UHFFFAOYSA-N 1 0 290.436 3.436 50 0 CGAARO CN1CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000022045083 171350474 /nfs/dbraw/zinc/35/04/74/171350474.db2.gz XYDKJWGUPWHVGB-UHFFFAOYSA-N 1 0 294.442 3.456 50 0 CGAARO CC[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000022454619 171388342 /nfs/dbraw/zinc/38/83/42/171388342.db2.gz GLXRRJYNAOLCOK-UHFFFAOYSA-N 1 0 273.207 3.131 50 0 CGAARO C[C@H]([NH2+]Cc1ccc(Br)cc1)C1CC1 ZINC000035136391 172003974 /nfs/dbraw/zinc/00/39/74/172003974.db2.gz GRYCYVPOKMSRRN-VIFPVBQESA-N 1 0 254.171 3.337 50 0 CGAARO C[C@H](CO)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000035602795 172291129 /nfs/dbraw/zinc/29/11/29/172291129.db2.gz ZYLVNUQSDBHOQB-RKDXNWHRSA-N 1 0 298.180 3.227 50 0 CGAARO NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000035605787 172292845 /nfs/dbraw/zinc/29/28/45/172292845.db2.gz BNAFISCEJUAMMK-LLVKDONJSA-N 1 0 288.416 3.075 50 0 CGAARO CCn1c(C[NH2+][C@H](C)Cc2ccco2)nc2ccccc21 ZINC000038046813 174056124 /nfs/dbraw/zinc/05/61/24/174056124.db2.gz DTGCQHCEGUIHGC-CYBMUJFWSA-N 1 0 283.375 3.370 50 0 CGAARO COc1ccc2[nH]cc(C[C@H](C[NH3+])c3ccccc3)c2c1 ZINC000041436049 174552893 /nfs/dbraw/zinc/55/28/93/174552893.db2.gz QQWSSZGPLAFQKC-CQSZACIVSA-N 1 0 280.371 3.462 50 0 CGAARO Cn1ccnc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000071856530 176278587 /nfs/dbraw/zinc/27/85/87/176278587.db2.gz LMQAEXXEHGZRIS-INIZCTEOSA-N 1 0 273.355 3.190 50 0 CGAARO Nc1cc(-c2cccc([C@H]3CCC[NH2+]3)c2)c2cc[nH]c2n1 ZINC000072128209 176321287 /nfs/dbraw/zinc/32/12/87/176321287.db2.gz KZFKQMPIQUTYFU-OAHLLOKOSA-N 1 0 278.359 3.237 50 0 CGAARO CS[C@@H](C)CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000072133847 176321595 /nfs/dbraw/zinc/32/15/95/176321595.db2.gz GKXUXOVOQLYNSB-AWEZNQCLSA-N 1 0 296.455 3.085 50 0 CGAARO Nc1ncccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000072151635 176327161 /nfs/dbraw/zinc/32/71/61/176327161.db2.gz UUOIADRAQPUFJM-OAHLLOKOSA-N 1 0 271.339 3.140 50 0 CGAARO CS[C@@H](C)CC[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072162787 176330579 /nfs/dbraw/zinc/33/05/79/176330579.db2.gz ATHHEAUNLXEJJQ-AWEZNQCLSA-N 1 0 294.464 3.204 50 0 CGAARO Cc1cccc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)n1 ZINC000077453851 177270346 /nfs/dbraw/zinc/27/03/46/177270346.db2.gz RZXARYCEPJJREB-KRWDZBQOSA-N 1 0 276.424 3.009 50 0 CGAARO C[C@@H]1C[N@@H+](CCCOc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000016488582 260098966 /nfs/dbraw/zinc/09/89/66/260098966.db2.gz XFMFYWCOITWHHB-GASCZTMLSA-N 1 0 289.419 3.053 50 0 CGAARO C[NH2+][C@@H](CO)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248236 270197448 /nfs/dbraw/zinc/19/74/48/270197448.db2.gz JWEHDSXUALCIAY-SFHVURJKSA-N 1 0 283.371 3.148 50 0 CGAARO Brc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000210080 275372624 /nfs/dbraw/zinc/37/26/24/275372624.db2.gz IUGGYBLSCOVAQM-LBPRGKRZSA-N 1 0 291.192 3.384 50 0 biogenic CGAARO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CCCc2sccc21 ZINC000095968121 275844928 /nfs/dbraw/zinc/84/49/28/275844928.db2.gz UHISFXISRDLQGB-KPZWWZAWSA-N 1 0 285.478 3.262 50 0 CGAARO CC1CC[NH+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000000968820 275941057 /nfs/dbraw/zinc/94/10/57/275941057.db2.gz FJHWBIQXBLWHIE-YESZJQIVSA-N 1 0 297.483 3.311 50 0 CGAARO CC[N@H+](CC1CCOCC1)[C@H](C)c1cccc(O)c1 ZINC000080932221 279171677 /nfs/dbraw/zinc/17/16/77/279171677.db2.gz ZCSGTTHJRTYDEJ-CYBMUJFWSA-N 1 0 263.381 3.202 50 0 CGAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000006829132 280450416 /nfs/dbraw/zinc/45/04/16/280450416.db2.gz KUYBDOWEEWZIMG-ZNMIVQPWSA-N 1 0 265.784 3.296 50 0 CGAARO Cc1csc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000077355823 281718324 /nfs/dbraw/zinc/71/83/24/281718324.db2.gz NTJXILGYSYMGPI-CYBMUJFWSA-N 1 0 279.453 3.152 50 0 CGAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000036864705 281770188 /nfs/dbraw/zinc/77/01/88/281770188.db2.gz MEGIAAGSKOWZHH-MRXNPFEDSA-N 1 0 255.365 3.194 50 0 CGAARO C[NH+](C)C[C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1 ZINC000005719554 289191323 /nfs/dbraw/zinc/19/13/23/289191323.db2.gz YCYVEJKHHUUACO-DZGCQCFKSA-N 1 0 267.800 3.279 50 0 CGAARO Cc1cc(C)cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000006008610 301226363 /nfs/dbraw/zinc/22/63/63/301226363.db2.gz KALUKGNJMIIXIT-HNNXBMFYSA-N 1 0 289.423 3.299 50 0 CGAARO Cc1cnc(C)c(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000534587349 328316148 /nfs/dbraw/zinc/31/61/48/328316148.db2.gz WORLNJSEWHOMDV-OAHLLOKOSA-N 1 0 288.439 3.160 50 0 CGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCCOC2CCCCC2)n1 ZINC000534666938 328345637 /nfs/dbraw/zinc/34/56/37/328345637.db2.gz GWCPFPMPDDYAER-HNNXBMFYSA-N 1 0 293.455 3.217 50 0 CGAARO Cc1ccccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000072439505 327110741 /nfs/dbraw/zinc/11/07/41/327110741.db2.gz BEYLWGAMTSXSKC-UHFFFAOYSA-N 1 0 282.387 3.433 50 0 CGAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000195558591 336056078 /nfs/dbraw/zinc/05/60/78/336056078.db2.gz PCOHFNDJPIMCGN-HLPPOEQASA-N 1 0 257.377 3.070 50 0 CGAARO Cc1ccc2ncc(C[NH2+][C@H]3CCC[C@@H]3CCO)cc2c1 ZINC000411654241 534521713 /nfs/dbraw/zinc/52/17/13/534521713.db2.gz XIAQNAZUSSTQOD-WBVHZDCISA-N 1 0 284.403 3.184 50 0 CGAARO Fc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)cc21 ZINC000436281263 534527178 /nfs/dbraw/zinc/52/71/78/534527178.db2.gz GMMSNTUVVKDUMM-SRCQZFHVSA-N 1 0 288.366 3.354 50 0 CGAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccs2)o1 ZINC000035255555 525794201 /nfs/dbraw/zinc/79/42/01/525794201.db2.gz UHIBWZOBPNDNFE-UHFFFAOYSA-N 1 0 273.361 3.329 50 0 CGAARO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000252501893 567930298 /nfs/dbraw/zinc/93/02/98/567930298.db2.gz UKNJYLILQHCCMR-GHMZBOCLSA-N 1 0 256.440 3.215 50 0 CGAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH3+])c2ccccc21 ZINC000950756038 613995936 /nfs/dbraw/zinc/99/59/36/613995936.db2.gz DUXYXFLJKUCGQT-CHWSQXEVSA-N 1 0 262.353 3.046 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000952991982 614347056 /nfs/dbraw/zinc/34/70/56/614347056.db2.gz HALWQMOVEJOANY-NSHDSACASA-N 1 0 282.334 3.024 50 0 CGAARO CCn1[nH]cc2nc(-c3ccc([C@@H](C)[NH+](C)C)cc3)nc1-2 ZINC000020536400 618978866 /nfs/dbraw/zinc/97/88/66/618978866.db2.gz RUAKHOXRZODMHH-LLVKDONJSA-N 1 0 283.379 3.069 50 0 CGAARO O=C1CC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098107 619260090 /nfs/dbraw/zinc/26/00/90/619260090.db2.gz ADFUNGLXNRMLDT-DLBZAZTESA-N 1 0 286.419 3.176 50 0 CGAARO C[C@H](NC1CC[NH+](C)CC1)c1cnc(-c2ccccc2)o1 ZINC000888099011 619260498 /nfs/dbraw/zinc/26/04/98/619260498.db2.gz STFPITZRFWCFMV-ZDUSSCGKSA-N 1 0 285.391 3.086 50 0 CGAARO Cc1cnn(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101217 619260846 /nfs/dbraw/zinc/26/08/46/619260846.db2.gz UTRWPNDKDDEURR-NEPJUHHUSA-N 1 0 294.349 3.263 50 0 CGAARO COc1ccccc1-c1noc([C@H]2CCN2C2CCCC2)n1 ZINC000874435483 624362558 /nfs/dbraw/zinc/36/25/58/624362558.db2.gz VAUMLMHDQKLLQF-CQSZACIVSA-N 1 0 299.374 3.435 50 0 CGAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1cc(F)cc(F)c1 ZINC000952966160 625868309 /nfs/dbraw/zinc/86/83/09/625868309.db2.gz DMJIFFOUOQUZPV-LBPRGKRZSA-N 1 0 296.361 3.018 50 0 CGAARO c1ccc(Oc2ncccc2C[NH2+]C2CCOCC2)cc1 ZINC000011817727 625953296 /nfs/dbraw/zinc/95/32/96/625953296.db2.gz FWXDHVCJMOGHNN-UHFFFAOYSA-N 1 0 284.359 3.143 50 0 CGAARO c1ccc(Oc2ncccc2C[NH2+]C[C@H]2CCOC2)cc1 ZINC000011843742 625963327 /nfs/dbraw/zinc/96/33/27/625963327.db2.gz PMSAPRRZKISBMG-CQSZACIVSA-N 1 0 284.359 3.000 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc2scnc2c1)C1CCCC1 ZINC000952991484 636776960 /nfs/dbraw/zinc/77/69/60/636776960.db2.gz SLRZWVXJOZFFJO-UHFFFAOYSA-N 1 0 289.404 3.109 50 0 CGAARO OCc1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000222118373 637775413 /nfs/dbraw/zinc/77/54/13/637775413.db2.gz QIWAVRARIFGEOL-UHFFFAOYSA-N 1 0 295.304 3.488 50 0 CGAARO CC(=O)N1CCC(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)CC1 ZINC000122288717 638223084 /nfs/dbraw/zinc/22/30/84/638223084.db2.gz IKFIFVCEIFUARL-IKGGRYGDSA-N 1 0 292.467 3.049 50 0 CGAARO C/C=C/C=C\C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000096298563 640826344 /nfs/dbraw/zinc/82/63/44/640826344.db2.gz VCRFODCARUXABP-XVHQSRQOSA-N 1 0 286.419 3.146 50 0 CGAARO OC[C@H]1CCC[N@@H+]1C1CCC(c2ccccc2)CC1 ZINC000000212235 640919376 /nfs/dbraw/zinc/91/93/76/640919376.db2.gz UOCRZXZJFPXUEA-OFLPRAFFSA-N 1 0 259.393 3.170 50 0 CGAARO CCCCOc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000016663070 641016301 /nfs/dbraw/zinc/01/63/01/641016301.db2.gz MMHVUSNUHKXENO-UHFFFAOYSA-N 1 0 290.451 3.392 50 0 CGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000023375400 798838657 /nfs/dbraw/zinc/83/86/57/798838657.db2.gz FEPXUJFRCBBZJA-LJQANCHMSA-N 1 0 295.430 3.178 50 0 CGAARO C[C@@H](c1ccc(-c2cnc(N)cn2)cc1)[NH+]1CCCCC1 ZINC000032558416 798849800 /nfs/dbraw/zinc/84/98/00/798849800.db2.gz QHLBDUJSOYWLAY-ZDUSSCGKSA-N 1 0 282.391 3.273 50 0 CGAARO CC[N@H+](C)C[C@@H](C)Cn1cnc(-c2ccccc2)c1C ZINC000065431149 798907479 /nfs/dbraw/zinc/90/74/79/798907479.db2.gz RTDFOVBRQJDSEA-CQSZACIVSA-N 1 0 271.408 3.446 50 0 CGAARO CCn1nc([C@H]2CCCC[N@@H+]2CC(C)C)c2c1CCOC2 ZINC000675009956 799730737 /nfs/dbraw/zinc/73/07/37/799730737.db2.gz BMBYMQCLPSJFEX-MRXNPFEDSA-N 1 0 291.439 3.159 50 0 CGAARO CC[N@H+](C)C[C@@H](C)C(=O)NCc1ccc2sccc2c1 ZINC000823072393 800465089 /nfs/dbraw/zinc/46/50/89/800465089.db2.gz KQJGTZZRWFUSTN-GFCCVEGCSA-N 1 0 290.432 3.105 50 0 CGAARO C[N@H+](Cc1cccc(-c2ccco2)c1)CC(C)(C)CO ZINC000828655431 800483144 /nfs/dbraw/zinc/48/31/44/800483144.db2.gz YLVLEWHXEUGIPU-UHFFFAOYSA-N 1 0 273.376 3.397 50 0 CGAARO Cc1ccc([C@H](C)CCN2CCC[N@@H+](C(C)C)CC2)o1 ZINC000952860228 800685184 /nfs/dbraw/zinc/68/51/84/800685184.db2.gz ISEPSOVTKAVIIL-OAHLLOKOSA-N 1 0 278.440 3.498 50 0 CGAARO CCc1nccn1C[C@H](C)[N@H+](C)Cc1ccsc1 ZINC001506416385 937989832 /nfs/dbraw/zinc/98/98/32/937989832.db2.gz ATPVIFNLIQGFTO-LBPRGKRZSA-N 1 0 263.410 3.028 50 0 CGAARO CCc1nccn1C[C@@H](C)[NH2+]CCn1ccc2ccccc21 ZINC001506429677 937990044 /nfs/dbraw/zinc/99/00/44/937990044.db2.gz SVXASPWVFUBTOE-OAHLLOKOSA-N 1 0 296.418 3.079 50 0 CGAARO CCc1nccn1CCC[NH2+]C/C=C/c1ccc(OC)cc1 ZINC001506428957 937990077 /nfs/dbraw/zinc/99/00/77/937990077.db2.gz RTZYUPRTCJGTIH-GQCTYLIASA-N 1 0 299.418 3.147 50 0 CGAARO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]12 ZINC000035103050 957844201 /nfs/dbraw/zinc/84/42/01/957844201.db2.gz SSZYQCXXLLYBFN-ROUUACIJSA-N 1 0 277.367 3.489 50 0 CGAARO Cc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)nc1 ZINC000096486357 230381805 /nfs/dbraw/zinc/38/18/05/230381805.db2.gz TUMXEBGZBRJFBG-GUYCJALGSA-N 1 0 288.366 3.131 50 0 CGAARO Cc1cc(C[N@H+](C)CCCn2ccnc2)c2ccccc2n1 ZINC000096490552 230382480 /nfs/dbraw/zinc/38/24/80/230382480.db2.gz AVBBBFGWWKOMCB-UHFFFAOYSA-N 1 0 294.402 3.262 50 0 CGAARO Cc1nnc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000096491397 230382778 /nfs/dbraw/zinc/38/27/78/230382778.db2.gz QAWFFNGTQLUEIG-NSHDSACASA-N 1 0 275.421 3.302 50 0 CGAARO C[C@@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)[NH+](C)C ZINC000426712286 230427322 /nfs/dbraw/zinc/42/73/22/230427322.db2.gz YZKDBVHSLHGNBZ-JTQLQIEISA-N 1 0 274.389 3.137 50 0 CGAARO CC(C)CCc1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000095965077 185045677 /nfs/dbraw/zinc/04/56/77/185045677.db2.gz GLSBQBZAOSLGMN-ZIAGYGMSSA-N 1 0 280.437 3.267 50 0 CGAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccco1 ZINC000095968324 185046484 /nfs/dbraw/zinc/04/64/84/185046484.db2.gz HXKKLJSLPCJYGV-HIFRSBDPSA-N 1 0 259.349 3.096 50 0 CGAARO Cc1nccn1CCC[N@@H+]1CCCc2sccc2C1 ZINC000095975858 185051329 /nfs/dbraw/zinc/05/13/29/185051329.db2.gz BMZCZMKAGAVICL-UHFFFAOYSA-N 1 0 275.421 3.092 50 0 CGAARO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000095995963 185060769 /nfs/dbraw/zinc/06/07/69/185060769.db2.gz CRWLTUUPDJMNGS-BZUAXINKSA-N 1 0 288.435 3.027 50 0 CGAARO Clc1ccccc1Cc1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000096032181 185067638 /nfs/dbraw/zinc/06/76/38/185067638.db2.gz HGZUKNZHCSZNBV-LBPRGKRZSA-N 1 0 276.767 3.386 50 0 CGAARO C[NH+](C)Cc1ccccc1-c1ccc2c[nH]nc2c1 ZINC000096139609 185105890 /nfs/dbraw/zinc/10/58/90/185105890.db2.gz VZYINNDUBQMMKY-UHFFFAOYSA-N 1 0 251.333 3.292 50 0 CGAARO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1)c1ccncc1 ZINC000097032667 185156033 /nfs/dbraw/zinc/15/60/33/185156033.db2.gz GPXJGQCQQHVPIO-QWHCGFSZSA-N 1 0 274.339 3.339 50 0 CGAARO CC[N@@H+]1C[C@@H](O)Cn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000001321635 344856456 /nfs/dbraw/zinc/85/64/56/344856456.db2.gz MUYNQVXAZFNNQL-CXAGYDPISA-N 1 0 284.403 3.024 50 0 biogenic CGAARO C[C@H](C(c1ccccc1)c1ccccc1)[C@H](C)[NH2+]CCO ZINC000002496803 344857419 /nfs/dbraw/zinc/85/74/19/344857419.db2.gz OHQOVQBFELGAJG-HOTGVXAUSA-N 1 0 283.415 3.425 50 0 CGAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000072274484 345407977 /nfs/dbraw/zinc/40/79/77/345407977.db2.gz CYMFWTIYFNNGRB-YJBOKZPZSA-N 1 0 281.403 3.007 50 0 CGAARO NC(=O)C1([NH2+]CCCc2cccc3ccccc32)CCCC1 ZINC000072308580 345409065 /nfs/dbraw/zinc/40/90/65/345409065.db2.gz LFPPSXJPKHCPME-UHFFFAOYSA-N 1 0 296.414 3.160 50 0 CGAARO COc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000074992222 345490100 /nfs/dbraw/zinc/49/01/00/345490100.db2.gz AAOWJQCGWXDMSM-UHFFFAOYSA-N 1 0 297.402 3.167 50 0 CGAARO CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000076042612 345531812 /nfs/dbraw/zinc/53/18/12/345531812.db2.gz AFJUGXMTMIBMCE-HOCLYGCPSA-N 1 0 293.455 3.140 50 0 CGAARO CC[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CC ZINC000076066853 345532339 /nfs/dbraw/zinc/53/23/39/345532339.db2.gz WGKLLQXRKXICDK-DOTOQJQBSA-N 1 0 288.435 3.156 50 0 CGAARO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000097146574 185549655 /nfs/dbraw/zinc/54/96/55/185549655.db2.gz LXGRXKJJWQACSE-MISXGVKJSA-N 1 0 250.386 3.248 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)cc1O ZINC000078988905 345627453 /nfs/dbraw/zinc/62/74/53/345627453.db2.gz REFXMWMGXXEMON-MAUKXSAKSA-N 1 0 299.370 3.021 50 0 CGAARO Cc1cc([C@@H]2CCC[N@H+](CCc3cccs3)C2)[nH]n1 ZINC000095961709 345901069 /nfs/dbraw/zinc/90/10/69/345901069.db2.gz KYJFAZCLEUJIKV-CYBMUJFWSA-N 1 0 275.421 3.202 50 0 CGAARO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)cc1C ZINC000195558117 346273956 /nfs/dbraw/zinc/27/39/56/346273956.db2.gz MBLBOWYKHTVRJV-HOCLYGCPSA-N 1 0 299.418 3.174 50 0 CGAARO Cc1cnc(-c2ccncc2)n1[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000409421146 346605413 /nfs/dbraw/zinc/60/54/13/346605413.db2.gz PDOGVMSJWCXQFU-INIZCTEOSA-N 1 0 284.407 3.156 50 0 CGAARO Cc1nocc1[C@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000585134612 346724194 /nfs/dbraw/zinc/72/41/94/346724194.db2.gz BVZVQLBBEINCOC-WFASDCNBSA-N 1 0 289.379 3.064 50 0 CGAARO Cc1cnccc1CC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000585141055 346725344 /nfs/dbraw/zinc/72/53/44/346725344.db2.gz OJXJZDPCDYMMDH-UHFFFAOYSA-N 1 0 285.322 3.003 50 0 CGAARO CCOC(=O)[C@H]1CCC[C@@H]1[N@H+](CC)Cc1ccccc1 ZINC000601013372 347851883 /nfs/dbraw/zinc/85/18/83/347851883.db2.gz JNHSEKJNCOZQBT-HOTGVXAUSA-N 1 0 275.392 3.240 50 0 CGAARO O=C(OCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000090624501 180015070 /nfs/dbraw/zinc/01/50/70/180015070.db2.gz LUEPOWKKYXJBSY-SFHVURJKSA-N 1 0 295.382 3.252 50 0 CGAARO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c[nH]nc31)CCO2 ZINC000225439458 283006687 /nfs/dbraw/zinc/00/66/87/283006687.db2.gz JEJSGEZCLKELBD-OAHLLOKOSA-N 1 0 297.333 3.315 50 0 CGAARO O[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000179522601 189199474 /nfs/dbraw/zinc/19/94/74/189199474.db2.gz GQNXDFRYOIBXLY-AWEZNQCLSA-N 1 0 273.401 3.372 50 0 CGAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218909933 376191380 /nfs/dbraw/zinc/19/13/80/376191380.db2.gz UZWUCKIEAYEOGT-FRRDWIJNSA-N 1 0 294.826 3.377 50 0 CGAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCC2 ZINC000121402751 370857930 /nfs/dbraw/zinc/85/79/30/370857930.db2.gz HEUBKDMFMFQCHJ-FRRDWIJNSA-N 1 0 294.464 3.224 50 0 CGAARO CC1CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC000000182373 368310127 /nfs/dbraw/zinc/31/01/27/368310127.db2.gz WYGHVCPXAVMMIQ-UHFFFAOYSA-N 1 0 286.463 3.425 50 0 CGAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccco1 ZINC000000177665 368310616 /nfs/dbraw/zinc/31/06/16/368310616.db2.gz HKXAITHKWSZGRG-HNNXBMFYSA-N 1 0 269.344 3.342 50 0 CGAARO C[C@H]([NH3+])Cc1ccccc1Sc1ccccc1O ZINC000000347793 368346035 /nfs/dbraw/zinc/34/60/35/368346035.db2.gz PHQGPZDJBURYLG-NSHDSACASA-N 1 0 259.374 3.433 50 0 CGAARO CC1[N+](=O)[C@H](c2ccc(Cl)cc2Cl)N(O)C1(C)C ZINC000000510293 368381168 /nfs/dbraw/zinc/38/11/68/368381168.db2.gz OFZLAPBDAMLYFU-NSHDSACASA-N 1 0 289.162 3.447 50 0 CGAARO CN1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000000757056 368393398 /nfs/dbraw/zinc/39/33/98/368393398.db2.gz AHISZTGILZDGCJ-UHFFFAOYSA-N 1 0 287.234 3.220 50 0 CGAARO c1ccc(-c2cc3c(c4[n+]2CCC4)CCCC3)cc1 ZINC000001239349 368404700 /nfs/dbraw/zinc/40/47/00/368404700.db2.gz HNZMOOQEPDNROC-UHFFFAOYSA-N 1 0 250.365 3.466 50 0 CGAARO C[NH+](C)CCOCCOc1ccc(Cl)c2ccccc12 ZINC000002824063 368480186 /nfs/dbraw/zinc/48/01/86/368480186.db2.gz FSQNAXGZOIOEFD-UHFFFAOYSA-N 1 0 293.794 3.450 50 0 CGAARO CC[n+]1ccc(/C=C\c2ccc(OC)c(OC)c2)cc1 ZINC000004582360 368552086 /nfs/dbraw/zinc/55/20/86/368552086.db2.gz VSODYXSTXPSSIK-WAYWQWQTSA-N 1 0 270.352 3.182 50 0 CGAARO CCCCN(C)C(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004689789 368557063 /nfs/dbraw/zinc/55/70/63/368557063.db2.gz WRZMMCJNMCSLIW-INIZCTEOSA-N 1 0 292.467 3.313 50 0 CGAARO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004305152 368541974 /nfs/dbraw/zinc/54/19/74/368541974.db2.gz VWTPLFUVVFAARL-RDJZCZTQSA-N 1 0 291.435 3.226 50 0 CGAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC000005611391 368563227 /nfs/dbraw/zinc/56/32/27/368563227.db2.gz QEQPVXMSEFTRIW-WFASDCNBSA-N 1 0 275.392 3.251 50 0 CGAARO Fc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000004334103 368543574 /nfs/dbraw/zinc/54/35/74/368543574.db2.gz LXOFDRFYSDHQTI-UHFFFAOYSA-N 1 0 281.334 3.412 50 0 CGAARO Cc1ccccc1C(=O)O[C@@H](C)C[NH+]1CCCCC1 ZINC000004552905 368550214 /nfs/dbraw/zinc/55/02/14/368550214.db2.gz YQJJKSJSNOGUJF-AWEZNQCLSA-N 1 0 261.365 3.026 50 0 CGAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000007787564 368572320 /nfs/dbraw/zinc/57/23/20/368572320.db2.gz MTGKEHLTCATJLW-LLVKDONJSA-N 1 0 280.799 3.319 50 0 CGAARO Fc1cccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000010218352 368578713 /nfs/dbraw/zinc/57/87/13/368578713.db2.gz KWNJIWSABKOTCB-BETUJISGSA-N 1 0 264.369 3.329 50 0 CGAARO c1ccc(N[C@H]2CCC[N@H+](C3CCSCC3)C2)cc1 ZINC000011937805 368600625 /nfs/dbraw/zinc/60/06/25/368600625.db2.gz JHEKEGNHETZHKK-HNNXBMFYSA-N 1 0 276.449 3.459 50 0 CGAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1c[nH]c2ccccc12 ZINC000012437292 368613267 /nfs/dbraw/zinc/61/32/67/368613267.db2.gz MJCBKKPOEAMEOT-BLLLJJGKSA-N 1 0 258.365 3.076 50 0 CGAARO OCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000016579049 368716424 /nfs/dbraw/zinc/71/64/24/368716424.db2.gz RSRGPOJBYAWBKA-UHFFFAOYSA-N 1 0 285.265 3.047 50 0 CGAARO CCCc1ccc(C(=O)NC2CC[NH+](CCC)CC2)cc1 ZINC000016580555 368716443 /nfs/dbraw/zinc/71/64/43/368716443.db2.gz NEDBBXJINWSKFZ-UHFFFAOYSA-N 1 0 288.435 3.243 50 0 CGAARO COc1ccccc1OC/C=C/C[NH+]1CCC(C)CC1 ZINC000016624130 368718087 /nfs/dbraw/zinc/71/80/87/368718087.db2.gz HFCWBTHOUQLWLB-AATRIKPKSA-N 1 0 275.392 3.362 50 0 CGAARO COc1ccc(CC[NH2+]C2Cc3ccccc3C2)cc1OC ZINC000016663156 368720004 /nfs/dbraw/zinc/72/00/04/368720004.db2.gz GGWXXQSCRNWJBE-UHFFFAOYSA-N 1 0 297.398 3.003 50 0 CGAARO CC(C)[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000014076211 368673776 /nfs/dbraw/zinc/67/37/76/368673776.db2.gz MZCZYLCUVVETPB-IRXDYDNUSA-N 1 0 282.387 3.200 50 0 CGAARO Cc1cccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1C ZINC000017135689 368728550 /nfs/dbraw/zinc/72/85/50/368728550.db2.gz OGZIHNLLDVLFQT-BFYDXBDKSA-N 1 0 291.435 3.306 50 0 CGAARO CC(=O)Nc1ccc(C[NH2+]CCOc2ccc(C)cc2)cc1 ZINC000017311987 368731297 /nfs/dbraw/zinc/73/12/97/368731297.db2.gz VBDGNIVGFDPRCX-UHFFFAOYSA-N 1 0 298.386 3.122 50 0 CGAARO CC[NH+](CC)CCN(C)CC[C@H](C)c1ccccc1 ZINC000019634228 368758846 /nfs/dbraw/zinc/75/88/46/368758846.db2.gz KFAIMIHEEPEODQ-INIZCTEOSA-N 1 0 262.441 3.454 50 0 CGAARO CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019156872 368744227 /nfs/dbraw/zinc/74/42/27/368744227.db2.gz UVKZSORBKUEBAZ-UHFFFAOYSA-N 1 0 266.388 3.023 50 0 fda CGAARO c1ccc(CCC[C@H]2C[N@@H+](C3CCC3)CCO2)cc1 ZINC000019299909 368748656 /nfs/dbraw/zinc/74/86/56/368748656.db2.gz AZEVCRCQPVFSTR-KRWDZBQOSA-N 1 0 259.393 3.263 50 0 CGAARO Cc1ccccc1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019360146 368750476 /nfs/dbraw/zinc/75/04/76/368750476.db2.gz INLHJNNMWIKBSI-UHFFFAOYSA-N 1 0 298.405 3.452 50 0 CGAARO CCOc1ccc(CN2CC[NH+]([C@H](C)CC)CC2)cc1 ZINC000019499938 368755676 /nfs/dbraw/zinc/75/56/76/368755676.db2.gz WFGJOMJMGKTLPT-OAHLLOKOSA-N 1 0 276.424 3.001 50 0 CGAARO COc1cccc(C[NH2+]CCc2ccccc2)c1OC ZINC000019568138 368757066 /nfs/dbraw/zinc/75/70/66/368757066.db2.gz YRDXSDXMPHOCBI-UHFFFAOYSA-N 1 0 271.360 3.036 50 0 CGAARO CC[NH+](CC)CCN(C)Cc1cccc(Cl)c1 ZINC000019636295 368758130 /nfs/dbraw/zinc/75/81/30/368758130.db2.gz JXNMPYRUHWPICC-UHFFFAOYSA-N 1 0 254.805 3.114 50 0 CGAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000023283471 368819921 /nfs/dbraw/zinc/81/99/21/368819921.db2.gz YIFUOJKBAHCCEK-CQSZACIVSA-N 1 0 270.376 3.201 50 0 CGAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccco1 ZINC000023650142 368822887 /nfs/dbraw/zinc/82/28/87/368822887.db2.gz KBPMVWSNFFKQGZ-UHFFFAOYSA-N 1 0 254.333 3.402 50 0 CGAARO OC1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000019918829 368785480 /nfs/dbraw/zinc/78/54/80/368785480.db2.gz IKEZGOHSKNXYJM-ORHYLEIMSA-N 1 0 263.406 3.117 50 0 CGAARO CC[NH+](CC)CCNc1nc2ccc(OC)cc2s1 ZINC000026423983 368858577 /nfs/dbraw/zinc/85/85/77/368858577.db2.gz FQAIQFILYBVHRH-UHFFFAOYSA-N 1 0 279.409 3.059 50 0 CGAARO Brc1cccc(COCC[C@@H]2CCCC[NH2+]2)c1 ZINC000028522185 368886405 /nfs/dbraw/zinc/88/64/05/368886405.db2.gz XRSZJQWRCOELFP-AWEZNQCLSA-N 1 0 298.224 3.498 50 0 CGAARO CC(C)[N@H+](C)CCCNC(=O)Nc1cccc(Cl)c1 ZINC000031087292 368911342 /nfs/dbraw/zinc/91/13/42/368911342.db2.gz HHDMRUQQUWDWPR-UHFFFAOYSA-N 1 0 283.803 3.192 50 0 CGAARO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000033026580 368957050 /nfs/dbraw/zinc/95/70/50/368957050.db2.gz YKPUJGQNMYNGOH-AWEZNQCLSA-N 1 0 288.416 3.089 50 0 CGAARO CCOCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000036229057 369014623 /nfs/dbraw/zinc/01/46/23/369014623.db2.gz KGXLFXASDXNSPF-JTQLQIEISA-N 1 0 272.186 3.136 50 0 CGAARO CC(C)([NH2+]C[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000037129047 369065620 /nfs/dbraw/zinc/06/56/20/369065620.db2.gz HCKHOOBIPWGPKJ-LLVKDONJSA-N 1 0 298.224 3.310 50 0 CGAARO O[C@@H](C[NH2+]C1CCCCCC1)c1ccc(F)c(F)c1 ZINC000037885815 369122560 /nfs/dbraw/zinc/12/25/60/369122560.db2.gz QYBKLWYCQXZKDS-HNNXBMFYSA-N 1 0 269.335 3.311 50 0 CGAARO Brc1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772654 369230836 /nfs/dbraw/zinc/23/08/36/369230836.db2.gz NSXJUOCUUQBLAM-NSHDSACASA-N 1 0 284.197 3.218 50 0 CGAARO CCc1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774795 369231989 /nfs/dbraw/zinc/23/19/89/369231989.db2.gz NERUQNHBHAGMHZ-LLVKDONJSA-N 1 0 284.197 3.142 50 0 CGAARO COc1ccccc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC000047409578 369315143 /nfs/dbraw/zinc/31/51/43/369315143.db2.gz ZSCZJVVPIRSFIK-UHFFFAOYSA-N 1 0 290.407 3.002 50 0 CGAARO O[C@H](C[NH2+]C1CCCCCCC1)COc1ccccc1F ZINC000002638954 169817128 /nfs/dbraw/zinc/81/71/28/169817128.db2.gz RCJDGFYKBIFNTN-OAHLLOKOSA-N 1 0 295.398 3.268 50 0 CGAARO c1ccc(-c2noc(C[NH+]3CCCCCC3)n2)cc1 ZINC000048418160 369349207 /nfs/dbraw/zinc/34/92/07/369349207.db2.gz HUFYLBGKUKJVOO-UHFFFAOYSA-N 1 0 257.337 3.113 50 0 CGAARO COC1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000053897318 369489635 /nfs/dbraw/zinc/48/96/35/369489635.db2.gz DTCLWHAQPYHYEO-UHFFFAOYSA-N 1 0 255.361 3.451 50 0 CGAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000057323029 369534523 /nfs/dbraw/zinc/53/45/23/369534523.db2.gz CFAGYCFMTKELHN-LLVKDONJSA-N 1 0 290.313 3.254 50 0 CGAARO CCn1nc(C)c(C[N@H+](CC)Cc2cccc(O)c2)c1C ZINC000055401723 369516243 /nfs/dbraw/zinc/51/62/43/369516243.db2.gz RTMUWWHIGUQHSH-UHFFFAOYSA-N 1 0 287.407 3.248 50 0 CGAARO CCc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000057999855 369551922 /nfs/dbraw/zinc/55/19/22/369551922.db2.gz MVIDMPLZGBYBCL-AWEZNQCLSA-N 1 0 282.387 3.366 50 0 CGAARO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC(C)C)cc1 ZINC000058162252 369556426 /nfs/dbraw/zinc/55/64/26/369556426.db2.gz AQSOJNGQJYYTIQ-MRXNPFEDSA-N 1 0 290.407 3.144 50 0 CGAARO COc1ccc(C)cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000058292614 369561502 /nfs/dbraw/zinc/56/15/02/369561502.db2.gz QWDCYKQJCYOUKT-UHFFFAOYSA-N 1 0 299.418 3.117 50 0 CGAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccs1)c1ccco1 ZINC000058290779 369561915 /nfs/dbraw/zinc/56/19/15/369561915.db2.gz YMJRRGMHJIALFS-LBPRGKRZSA-N 1 0 292.404 3.154 50 0 CGAARO C[C@@H](Cn1cccn1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680692 369603826 /nfs/dbraw/zinc/60/38/26/369603826.db2.gz YJWPXZCGSADZOF-ZDUSSCGKSA-N 1 0 298.415 3.185 50 0 CGAARO C[C@H](Cn1cccn1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061680693 369604352 /nfs/dbraw/zinc/60/43/52/369604352.db2.gz YJWPXZCGSADZOF-CYBMUJFWSA-N 1 0 298.415 3.185 50 0 CGAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000065371111 369669518 /nfs/dbraw/zinc/66/95/18/369669518.db2.gz WFRCRBBSIJYFTC-OAHLLOKOSA-N 1 0 292.386 3.460 50 0 CGAARO CCn1cc(C[N@H+](CC)Cc2cccc3cnccc32)cn1 ZINC000063857044 369649287 /nfs/dbraw/zinc/64/92/87/369649287.db2.gz BUJOFJHIDRSWOJ-UHFFFAOYSA-N 1 0 294.402 3.473 50 0 CGAARO C(=C/c1ccco1)\C[NH+]1CCC(CCn2cccn2)CC1 ZINC000065383448 369670692 /nfs/dbraw/zinc/67/06/92/369670692.db2.gz OCHJYLWOZOLAFK-DAFODLJHSA-N 1 0 285.391 3.292 50 0 CGAARO C[C@H](Cn1ccnc1)[NH2+]Cc1csc2c1CCCC2 ZINC000067472636 369717456 /nfs/dbraw/zinc/71/74/56/369717456.db2.gz LQKDXHHYFXFWKN-GFCCVEGCSA-N 1 0 275.421 3.002 50 0 CGAARO CC(C)C[C@]1(CO)CCC[N@H+](Cc2cccs2)C1 ZINC000065435320 369676241 /nfs/dbraw/zinc/67/62/41/369676241.db2.gz MBDWENRCFBGIJR-OAHLLOKOSA-N 1 0 267.438 3.369 50 0 CGAARO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cn2ccccc2n1 ZINC000065455898 369677411 /nfs/dbraw/zinc/67/74/11/369677411.db2.gz JJZBWPMPNSVXCH-ZDUSSCGKSA-N 1 0 283.350 3.194 50 0 CGAARO CCC[C@@H]1C=CCN1C(=O)CC1CC[NH+](CCC)CC1 ZINC000065470196 369677425 /nfs/dbraw/zinc/67/74/25/369677425.db2.gz LLMVYDOCBYKKCI-MRXNPFEDSA-N 1 0 278.440 3.066 50 0 CGAARO C=Cc1cccc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1 ZINC000067541931 369720831 /nfs/dbraw/zinc/72/08/31/369720831.db2.gz SFKSDMLXVFOLPO-QGZVFWFLSA-N 1 0 286.419 3.068 50 0 CGAARO C[C@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000069376336 369757951 /nfs/dbraw/zinc/75/79/51/369757951.db2.gz IPGKPLPNCOKNJW-CYBMUJFWSA-N 1 0 298.415 3.185 50 0 CGAARO Cc1noc(C)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069383550 369758213 /nfs/dbraw/zinc/75/82/13/369758213.db2.gz MFXJJHRZTYSHMJ-AWEZNQCLSA-N 1 0 274.339 3.420 50 0 CGAARO CSCc1ccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)o1 ZINC000069521573 369763305 /nfs/dbraw/zinc/76/33/05/369763305.db2.gz GEZVVEXILAHPCS-NEPJUHHUSA-N 1 0 279.409 3.078 50 0 CGAARO COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)n1cc(C)cn1 ZINC000069616208 369765129 /nfs/dbraw/zinc/76/51/29/369765129.db2.gz POEPROUTEOXNGF-STQMWFEESA-N 1 0 291.370 3.079 50 0 CGAARO COc1ccc(CC[NH3+])cc1-c1cccc2cnccc21 ZINC000067850183 369732080 /nfs/dbraw/zinc/73/20/80/369732080.db2.gz PBBDVGBIUCQQAU-UHFFFAOYSA-N 1 0 278.355 3.412 50 0 CGAARO CC(=O)N[C@H](C)c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000071761487 369808236 /nfs/dbraw/zinc/80/82/36/369808236.db2.gz ONPWSZWSQJVCIW-CYBMUJFWSA-N 1 0 294.398 3.196 50 0 CGAARO Cn1nc(-c2cccc3c2CC[NH2+]C3)c2cc(F)ccc21 ZINC000071661372 369809181 /nfs/dbraw/zinc/80/91/81/369809181.db2.gz UOHTZLFLXADFQP-UHFFFAOYSA-N 1 0 281.334 3.025 50 0 CGAARO COC[C@@H]1CCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072463652 369820625 /nfs/dbraw/zinc/82/06/25/369820625.db2.gz DZSKGJDERMLQHX-KRWDZBQOSA-N 1 0 291.435 3.001 50 0 CGAARO CC[C@](C)(O)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000069900995 369774595 /nfs/dbraw/zinc/77/45/95/369774595.db2.gz CTASASIWZGUNGO-HNNXBMFYSA-N 1 0 276.405 3.061 50 0 CGAARO NC(=[NH+]Nc1ccc(Br)cc1)c1ccccc1 ZINC000073667309 369864271 /nfs/dbraw/zinc/86/42/71/369864271.db2.gz AJGFYFYKOLNVQZ-UHFFFAOYSA-N 1 0 290.164 3.391 50 0 CGAARO O[C@@H]1CCC12C[NH+](C(c1ccccc1)c1ccccc1)C2 ZINC000074938393 369891454 /nfs/dbraw/zinc/89/14/54/369891454.db2.gz JMBMIGJCORKXEN-QGZVFWFLSA-N 1 0 279.383 3.233 50 0 CGAARO COc1ccc(C)cc1[C@H](C)[NH2+]CC1=CCCOC1 ZINC000078998879 369958195 /nfs/dbraw/zinc/95/81/95/369958195.db2.gz AHSGFDSWGWNSKH-ZDUSSCGKSA-N 1 0 261.365 3.001 50 0 CGAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCc1cccs1 ZINC000075572969 369914506 /nfs/dbraw/zinc/91/45/06/369914506.db2.gz WLERMCPYJVORCQ-QEJZJMRPSA-N 1 0 293.432 3.097 50 0 CGAARO COCc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075768609 369917718 /nfs/dbraw/zinc/91/77/18/369917718.db2.gz ZSWKWKRREDMPJR-AAEUAGOBSA-N 1 0 266.410 3.054 50 0 CGAARO Cc1nnc(C[N@@H+]2CCCC3(C2)CCCCCC3)o1 ZINC000075968238 369923845 /nfs/dbraw/zinc/92/38/45/369923845.db2.gz YMKCJVGSNDDWMW-UHFFFAOYSA-N 1 0 263.385 3.314 50 0 CGAARO Cc1cn2cc(C(=O)N[C@H](C)C3=CCCCC3)ccc2n1 ZINC000082083872 369998418 /nfs/dbraw/zinc/99/84/18/369998418.db2.gz QHCQFNFSARUCFB-CYBMUJFWSA-N 1 0 283.375 3.261 50 0 CGAARO COc1cccc(C[NH2+]Cc2cccc(C)c2F)c1 ZINC000083432574 370005731 /nfs/dbraw/zinc/00/57/31/370005731.db2.gz LQRIIHJJKVZEBN-UHFFFAOYSA-N 1 0 259.324 3.433 50 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O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1 ZINC000222090173 376230074 /nfs/dbraw/zinc/23/00/74/376230074.db2.gz KQNKONMOCCQGRV-ROUUACIJSA-N 1 0 294.398 3.196 50 0 CGAARO CC[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1C[C@@H](O)C1 ZINC000222662364 376240571 /nfs/dbraw/zinc/24/05/71/376240571.db2.gz FXCCEKPJTXIRRN-YRGRVCCFSA-N 1 0 256.349 3.196 50 0 CGAARO COCc1cc(C[N@H+](C)Cc2ccco2)ccc1OC ZINC000223848832 376263894 /nfs/dbraw/zinc/26/38/94/376263894.db2.gz DIYLEEVRLCKXID-UHFFFAOYSA-N 1 0 275.348 3.067 50 0 CGAARO CC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000229884640 376475359 /nfs/dbraw/zinc/47/53/59/376475359.db2.gz KWGGNBRHXYXOSS-CVEARBPZSA-N 1 0 299.418 3.027 50 0 CGAARO CC(C)N1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000239386684 376773614 /nfs/dbraw/zinc/77/36/14/376773614.db2.gz PZEZSOQEPIUOAT-HZPDHXFCSA-N 1 0 250.430 3.124 50 0 CGAARO CC[C@@H]1CCC[C@H](C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)C1 ZINC000242191321 376780061 /nfs/dbraw/zinc/78/00/61/376780061.db2.gz 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MOVZXPUXPSNKOA-CYBMUJFWSA-N 1 0 263.410 3.011 50 0 CGAARO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)[C@H](c2ccco2)C1 ZINC000252587575 377641147 /nfs/dbraw/zinc/64/11/47/377641147.db2.gz ZHFBAGLAWAQLLB-KMFMINBZSA-N 1 0 298.386 3.279 50 0 CGAARO CN1CCC(C(=O)C(F)(F)F)=C1[NH2+]Nc1ccccc1 ZINC000254555168 377709353 /nfs/dbraw/zinc/70/93/53/377709353.db2.gz BRPDOZUNYASJIW-PPTIEKKGSA-N 1 0 285.269 3.122 50 0 CGAARO C[N@H+](CCCOc1ccc(F)cc1)CC[C@H]1CCCCO1 ZINC000347390927 218217998 /nfs/dbraw/zinc/21/79/98/218217998.db2.gz ISCCSGQHVJCHKP-MRXNPFEDSA-N 1 0 295.398 3.486 50 0 CGAARO CC1=C(CC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)CCC1 ZINC000000216184 169577896 /nfs/dbraw/zinc/57/78/96/169577896.db2.gz APSRUWBCIUFNMP-CQSZACIVSA-N 1 0 278.440 3.100 50 0 CGAARO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1OC ZINC000096467623 533110085 /nfs/dbraw/zinc/11/00/85/533110085.db2.gz BOVOPSGMBBPSKS-DGCLKSJQSA-N 1 0 281.421 3.250 50 0 CGAARO Nc1cccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c1 ZINC000315866617 542437562 /nfs/dbraw/zinc/43/75/62/542437562.db2.gz MXIZVFYEXZMQMA-UHFFFAOYSA-N 1 0 295.386 3.117 50 0 CGAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000039793192 285313587 /nfs/dbraw/zinc/31/35/87/285313587.db2.gz YEOTVDKNJMSNQA-CHWSQXEVSA-N 1 0 273.298 3.099 50 0 CGAARO O[C@H](C[NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003897338 285355330 /nfs/dbraw/zinc/35/53/30/285355330.db2.gz HZJORPGYZRVQJZ-GSBYPIHSSA-N 1 0 285.431 3.354 50 0 CGAARO Cc1nc(C)c(C[NH2+][C@@H](CCO)C2CCCCC2)s1 ZINC000095448791 184989271 /nfs/dbraw/zinc/98/92/71/184989271.db2.gz RUOGBGAWNXDSDC-AWEZNQCLSA-N 1 0 282.453 3.181 50 0 CGAARO COc1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(Cl)c1 ZINC000096455487 533559421 /nfs/dbraw/zinc/55/94/21/533559421.db2.gz UYVSXGWUDJWUJX-ZDUSSCGKSA-N 1 0 283.799 3.086 50 0 CGAARO Cc1cc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)ccc1F ZINC000426739001 533649414 /nfs/dbraw/zinc/64/94/14/533649414.db2.gz GBAAUCITWNZAEJ-CQSZACIVSA-N 1 0 292.398 3.015 50 0 CGAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000000245843 391907794 /nfs/dbraw/zinc/90/77/94/391907794.db2.gz MFSKQYNVSZNUGB-INIZCTEOSA-N 1 0 291.435 3.344 50 0 CGAARO Cc1ccc(O[C@H](C)CC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000022064976 391944737 /nfs/dbraw/zinc/94/47/37/391944737.db2.gz GJFRILIBKQXQBC-JKSUJKDBSA-N 1 0 277.408 3.263 50 0 CGAARO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc3cnccn23)s1 ZINC000093102685 392235977 /nfs/dbraw/zinc/23/59/77/392235977.db2.gz VRJBFJUDSAELDK-AWEZNQCLSA-N 1 0 298.415 3.436 50 0 CGAARO CN(c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000089365459 392227238 /nfs/dbraw/zinc/22/72/38/392227238.db2.gz YDYVTNNDJUFGKD-UHFFFAOYSA-N 1 0 281.403 3.182 50 0 CGAARO COc1cccc(CC[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282011608 392271659 /nfs/dbraw/zinc/27/16/59/392271659.db2.gz DNSDGQBDUXQPFB-KRWDZBQOSA-N 1 0 289.419 3.177 50 0 CGAARO C[NH2+]Cc1ccc(NC(=O)NCC2=CCCCC2)cc1 ZINC000415984860 393216801 /nfs/dbraw/zinc/21/68/01/393216801.db2.gz RBADVEZOIUZXPB-UHFFFAOYSA-N 1 0 273.380 3.028 50 0 CGAARO Cc1ccccc1C1([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000670454828 543155747 /nfs/dbraw/zinc/15/57/47/543155747.db2.gz XNBQRRMNOMZDEP-HNNXBMFYSA-N 1 0 269.392 3.249 50 0 CGAARO Cn1ccc2cc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)ccc21 ZINC000670457979 543156421 /nfs/dbraw/zinc/15/64/21/543156421.db2.gz VMQICJJLIQHKBC-MRXNPFEDSA-N 1 0 294.402 3.281 50 0 CGAARO Cc1c2ccccc2oc1C[N@@H+](C)CC1(C)COC1 ZINC000670447966 543155261 /nfs/dbraw/zinc/15/52/61/543155261.db2.gz HEVKUSWCXBEQBI-UHFFFAOYSA-N 1 0 259.349 3.210 50 0 CGAARO Cc1ccc(C(F)(F)F)cc1C[N@@H+](C)CC(C)(C)CO ZINC000670447567 543155298 /nfs/dbraw/zinc/15/52/98/543155298.db2.gz BVLUYBGRZKKPIU-UHFFFAOYSA-N 1 0 289.341 3.464 50 0 CGAARO CC[N@H+](CCN(C)C)C1CCC(C(C)(C)C)CC1 ZINC000019636087 397604582 /nfs/dbraw/zinc/60/45/82/397604582.db2.gz HIHMKTRJJCAZJH-UHFFFAOYSA-N 1 0 254.462 3.475 50 0 CGAARO [NH3+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000084191668 397641034 /nfs/dbraw/zinc/64/10/34/397641034.db2.gz FHPSYBNVOWYHSZ-NSHDSACASA-N 1 0 258.134 3.388 50 0 CGAARO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000090773057 287104846 /nfs/dbraw/zinc/10/48/46/287104846.db2.gz ATXBVXQSSZUBIE-NSHDSACASA-N 1 0 259.349 3.256 50 0 CGAARO COc1ccc(CC[NH2+]Cc2ccccc2C)cc1OC ZINC000002063830 169773417 /nfs/dbraw/zinc/77/34/17/169773417.db2.gz SCBOPESLHFKADW-UHFFFAOYSA-N 1 0 285.387 3.345 50 0 biogenic CGAARO Cc1cccc(NC(=O)CC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004743729 170009566 /nfs/dbraw/zinc/00/95/66/170009566.db2.gz XOHVACMUFUTTHG-GJZGRUSLSA-N 1 0 274.408 3.302 50 0 CGAARO O[C@]1(c2ccccc2)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000004828144 170025045 /nfs/dbraw/zinc/02/50/45/170025045.db2.gz NYYZELOAEDIUSR-DLBZAZTESA-N 1 0 259.393 3.303 50 0 CGAARO CC[NH+](CC)CCOc1cccc(C(F)(F)F)c1 ZINC000004869903 170034862 /nfs/dbraw/zinc/03/48/62/170034862.db2.gz SOVZMEZPEHRJCR-UHFFFAOYSA-N 1 0 261.287 3.426 50 0 CGAARO COc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000004891860 170036926 /nfs/dbraw/zinc/03/69/26/170036926.db2.gz YLGOBJDHNDHSPF-UHFFFAOYSA-N 1 0 293.313 3.272 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942879 170043237 /nfs/dbraw/zinc/04/32/37/170043237.db2.gz RUYYDWPPSUJXDV-CYBMUJFWSA-N 1 0 279.767 3.461 50 0 CGAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1)CC2 ZINC000004990243 170050397 /nfs/dbraw/zinc/05/03/97/170050397.db2.gz CAWSVFVFDPTCOZ-UHFFFAOYSA-N 1 0 283.371 3.262 50 0 CGAARO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000005013605 170055372 /nfs/dbraw/zinc/05/53/72/170055372.db2.gz MPRONTYUTNVFNX-JJRVBVJISA-N 1 0 277.408 3.488 50 0 CGAARO Cc1ccc2c(C[NH+]3CCCCCC3)cc(=O)oc2c1 ZINC000005179869 170073970 /nfs/dbraw/zinc/07/39/70/170073970.db2.gz MQHDJNYJZPAOFF-UHFFFAOYSA-N 1 0 271.360 3.477 50 0 biogenic CGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c3ccccc3[nH]c21 ZINC000005190791 170075384 /nfs/dbraw/zinc/07/53/84/170075384.db2.gz CQCSAENWSXPMMH-LBPRGKRZSA-N 1 0 295.390 3.007 50 0 CGAARO Cc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)c(C)c1 ZINC000005538454 170110221 /nfs/dbraw/zinc/11/02/21/170110221.db2.gz AMUBBYYRCYXCFM-UHFFFAOYSA-N 1 0 283.371 3.364 50 0 CGAARO CC[NH2+]CCOc1ccc(Cc2ccccc2)cc1 ZINC000006728724 170234284 /nfs/dbraw/zinc/23/42/84/170234284.db2.gz ZBEBZVNIQQPHDP-UHFFFAOYSA-N 1 0 255.361 3.266 50 0 CGAARO CC[NH+](CC)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008717263 170349237 /nfs/dbraw/zinc/34/92/37/170349237.db2.gz GPCPCBHBWUXSOM-UHFFFAOYSA-N 1 0 286.375 3.293 50 0 CGAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+](C)C)cc1 ZINC000010017922 170395250 /nfs/dbraw/zinc/39/52/50/170395250.db2.gz LZTWAPUISDAYKV-GOSISDBHSA-N 1 0 296.414 3.336 50 0 CGAARO CC[NH+]1CCC(NC(=O)c2csc(C(C)C)c2)CC1 ZINC000016580305 170702896 /nfs/dbraw/zinc/70/28/96/170702896.db2.gz YFZQGGNGNQTRMX-UHFFFAOYSA-N 1 0 280.437 3.086 50 0 CGAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020149665 171037951 /nfs/dbraw/zinc/03/79/51/171037951.db2.gz JQBICXMYJLPVHO-AEFFLSMTSA-N 1 0 272.436 3.383 50 0 CGAARO CCCOc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000020593623 171263036 /nfs/dbraw/zinc/26/30/36/171263036.db2.gz YSFGRQMJBUZMMN-CQSZACIVSA-N 1 0 263.381 3.386 50 0 CGAARO C[NH+](C)CCCNc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000020718782 171270429 /nfs/dbraw/zinc/27/04/29/171270429.db2.gz SHFCNOLTUQKQIQ-UHFFFAOYSA-N 1 0 290.798 3.161 50 0 CGAARO Fc1cccc(CN2c3ccccc3N3CC[NH+]=C23)c1 ZINC000020890246 171278082 /nfs/dbraw/zinc/27/80/82/171278082.db2.gz YNIUPNXPIOBQPI-UHFFFAOYSA-N 1 0 267.307 3.022 50 0 CGAARO Cc1ccsc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000021938336 171337938 /nfs/dbraw/zinc/33/79/38/171337938.db2.gz PDNNZVXZZKFFHC-UHFFFAOYSA-N 1 0 288.416 3.048 50 0 CGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccco1)c1ccsc1 ZINC000031992885 171680409 /nfs/dbraw/zinc/68/04/09/171680409.db2.gz BUJSOJLVCBARGE-CYBMUJFWSA-N 1 0 292.404 3.154 50 0 CGAARO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)Oc1ccccn1 ZINC000035287317 172104941 /nfs/dbraw/zinc/10/49/41/172104941.db2.gz WULZYZSAPLKOKK-LBPRGKRZSA-N 1 0 276.767 3.292 50 0 CGAARO CCC(CC)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000035361894 172152861 /nfs/dbraw/zinc/15/28/61/172152861.db2.gz IILFGFGHMFLZQH-UHFFFAOYSA-N 1 0 260.425 3.429 50 0 CGAARO C[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255504 173066317 /nfs/dbraw/zinc/06/63/17/173066317.db2.gz SEFXUGDSQDTBHK-SMDDNHRTSA-N 1 0 280.799 3.447 50 0 CGAARO Cc1ccc(NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000037372834 173162777 /nfs/dbraw/zinc/16/27/77/173162777.db2.gz DRRWKLLCWPYUPT-UHFFFAOYSA-N 1 0 281.359 3.285 50 0 CGAARO CC(C)[NH+](CCNc1ncnc2ccsc21)C(C)C ZINC000037375105 173164487 /nfs/dbraw/zinc/16/44/87/173164487.db2.gz BTRUEZYTYDGOLH-UHFFFAOYSA-N 1 0 278.425 3.222 50 0 CGAARO CCN(CC)C(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038832598 174156916 /nfs/dbraw/zinc/15/69/16/174156916.db2.gz YBWGSDZQXYJODP-UHFFFAOYSA-N 1 0 288.435 3.401 50 0 CGAARO c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000039209898 174165889 /nfs/dbraw/zinc/16/58/89/174165889.db2.gz XKECCEPWUCILIL-KRWDZBQOSA-N 1 0 253.345 3.260 50 0 CGAARO CC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3s2)C1 ZINC000040503234 174299980 /nfs/dbraw/zinc/29/99/80/174299980.db2.gz FMHOVBNOQUQOEE-LLVKDONJSA-N 1 0 261.394 3.193 50 0 CGAARO CCN(CC)c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042771276 174871212 /nfs/dbraw/zinc/87/12/12/174871212.db2.gz IVCDJSHWRARVMT-HNNXBMFYSA-N 1 0 276.424 3.301 50 0 CGAARO CCc1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042775148 174873933 /nfs/dbraw/zinc/87/39/33/174873933.db2.gz GFBFMDAJZXJIFN-LBPRGKRZSA-N 1 0 253.773 3.281 50 0 CGAARO Fc1ccc(CNCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000045796066 175384097 /nfs/dbraw/zinc/38/40/97/175384097.db2.gz DHXFCJWRLHINQS-UHFFFAOYSA-N 1 0 292.785 3.359 50 0 CGAARO C[C@H]1CCCC[C@]12NCC[NH+]=C2NC1CCCCCC1 ZINC000046153231 175393659 /nfs/dbraw/zinc/39/36/59/175393659.db2.gz LNHWJMWIWYDAME-YOEHRIQHSA-N 1 0 277.456 3.249 50 0 biogenic CGAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCC(=O)N1CCCCC1 ZINC000046503655 175397301 /nfs/dbraw/zinc/39/73/01/175397301.db2.gz WBJJXBVZIBFNHG-AWEZNQCLSA-N 1 0 292.398 3.221 50 0 CGAARO COC[C@@H](C)NC(=[NH2+])SCc1cccc2cccnc21 ZINC000054359704 175558550 /nfs/dbraw/zinc/55/85/50/175558550.db2.gz ZDNHQKIQEKPGOI-LLVKDONJSA-N 1 0 289.404 3.027 50 0 CGAARO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797263 176265260 /nfs/dbraw/zinc/26/52/60/176265260.db2.gz APQYDUBFVRHIGB-MRXNPFEDSA-N 1 0 255.365 3.066 50 0 CGAARO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000071878788 176287326 /nfs/dbraw/zinc/28/73/26/176287326.db2.gz FIAAUUXCBAIBIJ-QGZVFWFLSA-N 1 0 299.418 3.383 50 0 CGAARO Cc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)o1 ZINC000072126693 176320382 /nfs/dbraw/zinc/32/03/82/176320382.db2.gz YMXWISBEGDGCGE-UHFFFAOYSA-N 1 0 270.376 3.300 50 0 CGAARO Fc1cccc(OC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000072166726 176331661 /nfs/dbraw/zinc/33/16/61/176331661.db2.gz AARPNVZDUIZVIK-UHFFFAOYSA-N 1 0 286.350 3.264 50 0 CGAARO CC(C)c1nc2c(n1C)CCN(c1nc3ccccc3o1)C2 ZINC000069491499 270040960 /nfs/dbraw/zinc/04/09/60/270040960.db2.gz JXDZHOLQYQEZFM-UHFFFAOYSA-N 1 0 296.374 3.247 50 0 CGAARO CCC[C@@H]1C=CC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000252483624 276027732 /nfs/dbraw/zinc/02/77/32/276027732.db2.gz FGCVFRQASCOAJT-CYBMUJFWSA-N 1 0 290.407 3.217 50 0 CGAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000195575927 276181291 /nfs/dbraw/zinc/18/12/91/276181291.db2.gz DHEFTPGBHHMEGM-KKUMJFAQSA-N 1 0 288.439 3.257 50 0 CGAARO CNc1cc(C)[nH+]c2ccc(Br)cc12 ZINC000041474727 277301882 /nfs/dbraw/zinc/30/18/82/277301882.db2.gz CMHRMBUUPANIFB-UHFFFAOYSA-N 1 0 251.127 3.347 50 0 CGAARO COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3[N@H+](C)CC2 ZINC000000320698 277395312 /nfs/dbraw/zinc/39/53/12/277395312.db2.gz ORJVQPIHKOARKV-OAHLLOKOSA-N 1 0 295.382 3.456 50 0 biogenic,in-vitro CGAARO COc1ccc([C@H](C[NH+](C)C)C2(O)CCCCC2)cc1 ZINC000000896698 277428941 /nfs/dbraw/zinc/42/89/41/277428941.db2.gz PNVNVHUZROJLTJ-INIZCTEOSA-N 1 0 277.408 3.036 50 0 fda CGAARO COc1cccc(-c2c[n+]3cc(Cl)ccc3n2C)c1 ZINC000020031135 278005697 /nfs/dbraw/zinc/00/56/97/278005697.db2.gz UVKNKOUZPRDZMH-UHFFFAOYSA-N 1 0 273.743 3.093 50 0 CGAARO C[C@@H]1[C@H](O)CC[C@]2(C)C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000106350023 289065787 /nfs/dbraw/zinc/06/57/87/289065787.db2.gz WOBWPNVQJOHAFG-DZOHQFGASA-N 1 0 273.420 3.306 50 0 CGAARO Cc1cc(OC[C@@H](O)C[NH+]2CCCCC2)ccc1C(C)C ZINC000005023393 301377699 /nfs/dbraw/zinc/37/76/99/301377699.db2.gz XFSZKPZVUSMQQK-INIZCTEOSA-N 1 0 291.435 3.344 50 0 CGAARO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761335 327721604 /nfs/dbraw/zinc/72/16/04/327721604.db2.gz LHSYRVKUPAYFFV-KGLIPLIRSA-N 1 0 280.437 3.190 50 0 CGAARO c1cnc2c(c1)cccc2OCC[NH2+][C@@H]1CCCSC1 ZINC000534579735 328311324 /nfs/dbraw/zinc/31/13/24/328311324.db2.gz CJTFKCYOIYQOOR-CQSZACIVSA-N 1 0 288.416 3.099 50 0 CGAARO C(C[NH2+]C1CSCCSC1)COC1CCCCC1 ZINC000534591381 328318439 /nfs/dbraw/zinc/31/84/39/328318439.db2.gz HOULVVLIKNOMPV-UHFFFAOYSA-N 1 0 289.510 3.164 50 0 CGAARO Oc1cccc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000058203389 327010422 /nfs/dbraw/zinc/01/04/22/327010422.db2.gz ULXMFQVWBLJWAL-UHFFFAOYSA-N 1 0 297.333 3.007 50 0 CGAARO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)s1 ZINC000096477829 329526865 /nfs/dbraw/zinc/52/68/65/329526865.db2.gz GVMNVSAEBYULPY-DIFFPNOSSA-N 1 0 273.467 3.254 50 0 CGAARO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257788 330245188 /nfs/dbraw/zinc/24/51/88/330245188.db2.gz ZSECNMBCGSHNHK-NWDGAFQWSA-N 1 0 289.345 3.248 50 0 CGAARO CCc1nn(C)cc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000426541183 330511501 /nfs/dbraw/zinc/51/15/01/330511501.db2.gz APKDAKTYEJWDAC-GFCCVEGCSA-N 1 0 257.381 3.272 50 0 CGAARO C[C@@H]([NH2+]C(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000014134541 525387093 /nfs/dbraw/zinc/38/70/93/525387093.db2.gz NUOHCZRMUBMBQP-SECBINFHSA-N 1 0 288.313 3.421 50 0 CGAARO CSc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000019871885 526004720 /nfs/dbraw/zinc/00/47/20/526004720.db2.gz IOVUYLUZHRMPJR-INIZCTEOSA-N 1 0 273.401 3.232 50 0 CGAARO CCOCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424259555 528780415 /nfs/dbraw/zinc/78/04/15/528780415.db2.gz CTMNIQYZIKIQSG-AWEZNQCLSA-N 1 0 276.405 3.053 50 0 CGAARO CC(C)C[N@@H+]1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C ZINC000299872872 567888948 /nfs/dbraw/zinc/88/89/48/567888948.db2.gz XQQQNSXVHJHKJP-ZOBUZTSGSA-N 1 0 261.409 3.261 50 0 CGAARO CCC[N@@H+]1CCC[C@H](NCc2cccc(O)c2Cl)C1 ZINC000952990970 614676873 /nfs/dbraw/zinc/67/68/73/614676873.db2.gz NQBBCKVHHGDGJH-ZDUSSCGKSA-N 1 0 282.815 3.010 50 0 CGAARO C[C@H](O)[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092972235 619161441 /nfs/dbraw/zinc/16/14/41/619161441.db2.gz QEWJAAFRQLWWKR-KJJZUGDZSA-N 1 0 263.356 3.074 50 0 CGAARO C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CC12CC2 ZINC000888095925 619259755 /nfs/dbraw/zinc/25/97/55/619259755.db2.gz FJKGOEOVPPVXSO-AAEUAGOBSA-N 1 0 269.348 3.015 50 0 CGAARO CC(C)=CC[NH2+][C@H](C)c1cnc(-c2ccncc2)nc1C ZINC000012072529 625982259 /nfs/dbraw/zinc/98/22/59/625982259.db2.gz KNLODURZDJZZEK-CYBMUJFWSA-N 1 0 282.391 3.464 50 0 CGAARO C[C@H](Cc1ccccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000863982431 629721205 /nfs/dbraw/zinc/72/12/05/629721205.db2.gz KEUNNBAZTSBHPZ-NVXWUHKLSA-N 1 0 299.418 3.032 50 0 CGAARO C[C@H]([NH2+][C@@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982495 629722058 /nfs/dbraw/zinc/72/20/58/629722058.db2.gz PDSUKOBMJJSWLS-BBRMVZONSA-N 1 0 284.407 3.397 50 0 CGAARO c1coc(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000864091193 629766711 /nfs/dbraw/zinc/76/67/11/629766711.db2.gz PEUVZGWILZBGJL-HNNXBMFYSA-N 1 0 290.407 3.346 50 0 CGAARO COc1cnc(F)c(C[NH2+]CCCOC2CCCCC2)c1 ZINC000864095902 629770872 /nfs/dbraw/zinc/77/08/72/629770872.db2.gz LWMGLFRTUYOUIQ-UHFFFAOYSA-N 1 0 296.386 3.058 50 0 CGAARO CCOc1ccc([C@H](CC)[NH2+]Cc2cnc(C)nc2)cc1 ZINC000952978328 636776851 /nfs/dbraw/zinc/77/68/51/636776851.db2.gz YOIMCNHKIFDTFH-KRWDZBQOSA-N 1 0 285.391 3.425 50 0 CGAARO Cc1cc(F)ccc1N1CCC([NH+]2CCSCC2)CC1 ZINC000952980752 636777087 /nfs/dbraw/zinc/77/70/87/636777087.db2.gz IFHFFDDXCXZDFI-UHFFFAOYSA-N 1 0 294.439 3.152 50 0 CGAARO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccco1 ZINC000131485652 638258861 /nfs/dbraw/zinc/25/88/61/638258861.db2.gz ZCQWYIDEKIGQJO-CYBMUJFWSA-N 1 0 271.364 3.126 50 0 CGAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000000756991 640927557 /nfs/dbraw/zinc/92/75/57/640927557.db2.gz VMFDHRPIECHQIL-HNNXBMFYSA-N 1 0 280.456 3.290 50 0 CGAARO Clc1ccc(C[NH2+]CCO[C@H]2CCCCO2)s1 ZINC000585117376 799677355 /nfs/dbraw/zinc/67/73/55/799677355.db2.gz ZTUFJNBJLLPOOV-LBPRGKRZSA-N 1 0 275.801 3.034 50 0 CGAARO Clc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)s1 ZINC000585117375 799678039 /nfs/dbraw/zinc/67/80/39/799678039.db2.gz ZTUFJNBJLLPOOV-GFCCVEGCSA-N 1 0 275.801 3.034 50 0 CGAARO CCCn1nc(C2CC2)nc1-c1ccc(C[NH+](C)C)cc1 ZINC000823033149 800465514 /nfs/dbraw/zinc/46/55/14/800465514.db2.gz VVALZZVHISIABT-UHFFFAOYSA-N 1 0 284.407 3.294 50 0 CGAARO Cc1cc(C)nc(C[N@H+](C)CC[C@@H]2CC2(F)F)c1 ZINC000823702953 800468576 /nfs/dbraw/zinc/46/85/76/800468576.db2.gz OFHQDOPOCMPWGD-GFCCVEGCSA-N 1 0 254.324 3.176 50 0 CGAARO Cc1cc2cc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)ccc2o1 ZINC000823770332 800468753 /nfs/dbraw/zinc/46/87/53/800468753.db2.gz YRQDRWCMCBAESV-GFCCVEGCSA-N 1 0 272.348 3.022 50 0 CGAARO COc1ncc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000824852111 800473121 /nfs/dbraw/zinc/47/31/21/800473121.db2.gz VEHXLMSEXHDSHV-QGZVFWFLSA-N 1 0 297.402 3.255 50 0 CGAARO CC(C)c1nccn1CCC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000952869262 800684676 /nfs/dbraw/zinc/68/46/76/800684676.db2.gz GSFLUDQKRRVSGD-HNNXBMFYSA-N 1 0 293.455 3.191 50 0 CGAARO O=C(NC/C=C/c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000952873193 800685655 /nfs/dbraw/zinc/68/56/55/800685655.db2.gz IGPVETOQFKATGO-DHZHZOJOSA-N 1 0 298.430 3.225 50 0 CGAARO C[NH+]1CCC(CNc2ncccc2F)(c2ccccc2)CC1 ZINC000952869350 800686392 /nfs/dbraw/zinc/68/63/92/800686392.db2.gz QQWQRLXUHLYJDN-UHFFFAOYSA-N 1 0 299.393 3.296 50 0 CGAARO CC1(C)C[C@H](C[NH2+]Cc2ccccc2-n2ccnc2)CCO1 ZINC000952872486 800686435 /nfs/dbraw/zinc/68/64/35/800686435.db2.gz OKMSVPUURWOEIJ-OAHLLOKOSA-N 1 0 299.418 3.167 50 0 CGAARO C[C@H](CCCC(C)(C)O)CC[NH2+]CCC1(O)CCCC1 ZINC000032537172 927575257 /nfs/dbraw/zinc/57/52/57/927575257.db2.gz KAXMMCRETQUDJS-OAHLLOKOSA-N 1 0 285.472 3.239 50 0 CGAARO CC[N@@H+]1CC[C@@H](Nc2ccc3cccc(Cl)c3n2)C1 ZINC001506422060 937990004 /nfs/dbraw/zinc/99/00/04/937990004.db2.gz ZTFAVTMWIYJKKD-GFCCVEGCSA-N 1 0 275.783 3.394 50 0 CGAARO Cc1ccc(C[N@H+](Cc2cc(=O)[nH]c(C)n2)C2CC2)s1 ZINC001506427529 937990156 /nfs/dbraw/zinc/99/01/56/937990156.db2.gz NJENYFYMHUAMPR-UHFFFAOYSA-N 1 0 289.404 3.025 50 0 CGAARO Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCC3(CCCC3)C2)n1 ZINC001529110028 938070950 /nfs/dbraw/zinc/07/09/50/938070950.db2.gz IYKUZAFUYMMTKQ-OAHLLOKOSA-N 1 0 261.413 3.155 50 0 CGAARO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000035103048 957844375 /nfs/dbraw/zinc/84/43/75/957844375.db2.gz SSZYQCXXLLYBFN-MSOLQXFVSA-N 1 0 277.367 3.489 50 0 CGAARO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000096478209 230380095 /nfs/dbraw/zinc/38/00/95/230380095.db2.gz VZVPIPPCENKFEO-WCQYABFASA-N 1 0 279.405 3.197 50 0 CGAARO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ncc[nH]1 ZINC000096500145 230384360 /nfs/dbraw/zinc/38/43/60/230384360.db2.gz PUAQDWKTMQOMSK-SNVBAGLBSA-N 1 0 283.297 3.149 50 0 CGAARO Cc1ccc2ccccc2c1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000095518871 185002331 /nfs/dbraw/zinc/00/23/31/185002331.db2.gz AHNBOCAIKASENW-HNNXBMFYSA-N 1 0 297.402 3.316 50 0 CGAARO CCc1ccc([C@@H]([NH2+]CC(=O)NC(C)(C)C)C(C)C)cc1 ZINC000096955930 185140591 /nfs/dbraw/zinc/14/05/91/185140591.db2.gz OEYZIFPQARHAQD-KRWDZBQOSA-N 1 0 290.451 3.450 50 0 CGAARO Cc1ccc([C@@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000005101561 344860963 /nfs/dbraw/zinc/86/09/63/344860963.db2.gz WCXIOQLYGANTRZ-KDOFPFPSSA-N 1 0 296.370 3.261 50 0 CGAARO Cc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000015767552 344885579 /nfs/dbraw/zinc/88/55/79/344885579.db2.gz WCXIOQLYGANTRZ-KBXCAEBGSA-N 1 0 296.370 3.261 50 0 CGAARO O[C@H]1CCC[N@@H+](C2(c3ccccc3)CCCCC2)C1 ZINC000032162346 344930410 /nfs/dbraw/zinc/93/04/10/344930410.db2.gz REOJDWNPCWABRJ-INIZCTEOSA-N 1 0 259.393 3.303 50 0 CGAARO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221855870 282383114 /nfs/dbraw/zinc/38/31/14/282383114.db2.gz LXGRXKJJWQACSE-UHIISALHSA-N 1 0 250.386 3.248 50 0 CGAARO CCCn1cnnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065287588 345271057 /nfs/dbraw/zinc/27/10/57/345271057.db2.gz XBSLIXZZOZSTED-UHFFFAOYSA-N 1 0 298.434 3.110 50 0 CGAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC000072234473 345407067 /nfs/dbraw/zinc/40/70/67/345407067.db2.gz XKEAKWFAOUVJFU-CVEARBPZSA-N 1 0 278.440 3.042 50 0 CGAARO COC[C@H](C)[NH+]1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000072308085 345408733 /nfs/dbraw/zinc/40/87/33/345408733.db2.gz KSANMPVGAGVIFR-KBPBESRZSA-N 1 0 296.842 3.054 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2C)[C@H](C)C1 ZINC000078897445 345623735 /nfs/dbraw/zinc/62/37/35/345623735.db2.gz WYIBHVWCGRCGRB-PBHICJAKSA-N 1 0 288.435 3.040 50 0 CGAARO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCOC(C)C ZINC000079074043 345629779 /nfs/dbraw/zinc/62/97/79/345629779.db2.gz IVLCYOHLTWIHNN-MRXNPFEDSA-N 1 0 276.424 3.142 50 0 CGAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000089725149 345773627 /nfs/dbraw/zinc/77/36/27/345773627.db2.gz JZWZTZAIRSISJZ-HNNXBMFYSA-N 1 0 298.434 3.243 50 0 CGAARO C[NH+](C)C[C@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000096027103 345901691 /nfs/dbraw/zinc/90/16/91/345901691.db2.gz GWKUOJPCBVXLJQ-KRWDZBQOSA-N 1 0 267.372 3.290 50 0 CGAARO FC(F)(F)c1cccc(CN2CC([NH+]3CCCCC3)C2)c1 ZINC000097436772 185603688 /nfs/dbraw/zinc/60/36/88/185603688.db2.gz WPSMJYNETQPGOA-UHFFFAOYSA-N 1 0 298.352 3.376 50 0 CGAARO CC(=O)NC1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187081854 346260287 /nfs/dbraw/zinc/26/02/87/346260287.db2.gz XMIPUDDXMAUXGV-GFCCVEGCSA-N 1 0 294.826 3.044 50 0 CGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000215553431 346288633 /nfs/dbraw/zinc/28/86/33/346288633.db2.gz PSKGIZNSTKUMHS-KWCYVHTRSA-N 1 0 277.412 3.497 50 0 CGAARO CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000217892395 346291754 /nfs/dbraw/zinc/29/17/54/346291754.db2.gz USNILLZDFJEBTP-QWHCGFSZSA-N 1 0 284.444 3.458 50 0 CGAARO Cc1nccn1CC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000584892166 346722032 /nfs/dbraw/zinc/72/20/32/346722032.db2.gz DAUZCRIYIWBXNH-CQSZACIVSA-N 1 0 296.418 3.284 50 0 CGAARO Clc1ccc2[nH]c(C[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000584892207 346722238 /nfs/dbraw/zinc/72/22/38/346722238.db2.gz MYODGGXHFAAXIY-SNVBAGLBSA-N 1 0 281.812 3.202 50 0 CGAARO COc1ccc(C2(C[NH2+]C3CCOCC3)CCCC2)cc1 ZINC000584900736 346723879 /nfs/dbraw/zinc/72/38/79/346723879.db2.gz VJRRJLJMKHQLMB-UHFFFAOYSA-N 1 0 289.419 3.276 50 0 CGAARO CC[N@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CCOC(C)(C)C1 ZINC000351949518 219261396 /nfs/dbraw/zinc/26/13/96/219261396.db2.gz QAJOULUTHCNKRO-LBPRGKRZSA-N 1 0 295.427 3.147 50 0 CGAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](CC)C1 ZINC000089948966 179890476 /nfs/dbraw/zinc/89/04/76/179890476.db2.gz GZWUECIEPHICFO-AAEUAGOBSA-N 1 0 298.814 3.060 50 0 CGAARO COC[C@@H]([NH2+][C@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717007 180030893 /nfs/dbraw/zinc/03/08/93/180030893.db2.gz ZDZSMFLFMAWAPC-QMTHXVAHSA-N 1 0 276.405 3.372 50 0 CGAARO CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2[NH3+] ZINC000091645908 180214571 /nfs/dbraw/zinc/21/45/71/180214571.db2.gz SNRSDTUMXCZSRR-OAHLLOKOSA-N 1 0 296.418 3.085 50 0 CGAARO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cncnc2)C1 ZINC000091876559 180278857 /nfs/dbraw/zinc/27/88/57/180278857.db2.gz XGTDZQKTVOCKIQ-KRWDZBQOSA-N 1 0 267.376 3.030 50 0 CGAARO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C1 ZINC000110641643 186308462 /nfs/dbraw/zinc/30/84/62/186308462.db2.gz RZHVIKWGYOJOCS-JKSUJKDBSA-N 1 0 292.448 3.361 50 0 CGAARO CC(C)c1ccc(CCC[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000634962402 351610253 /nfs/dbraw/zinc/61/02/53/351610253.db2.gz SGCNGWKESAMYNG-QGZVFWFLSA-N 1 0 288.435 3.001 50 0 CGAARO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCNc3ccccc3)C[C@H]2C1 ZINC000424311951 236145469 /nfs/dbraw/zinc/14/54/69/236145469.db2.gz LOMGCNWQEZROCL-LVYXFOGZSA-N 1 0 288.435 3.282 50 0 CGAARO CC(C)c1nc(C[N@@H+]2CCCCC[C@H]2CCO)cs1 ZINC000342022960 216190118 /nfs/dbraw/zinc/19/01/18/216190118.db2.gz QQFHNBMGMQJUCB-AWEZNQCLSA-N 1 0 282.453 3.394 50 0 CGAARO Cc1ccc(F)cc1CN1CCC([NH2+]C(C)C)CC1 ZINC000180029853 189233029 /nfs/dbraw/zinc/23/30/29/189233029.db2.gz PAKODKXVPYMPBT-UHFFFAOYSA-N 1 0 264.388 3.097 50 0 CGAARO Cc1ccc(NC(=O)NCC23CCC[NH+]2CCC3)cc1C ZINC000299794829 200876785 /nfs/dbraw/zinc/87/67/85/200876785.db2.gz JZYUNGGYRRXNEF-UHFFFAOYSA-N 1 0 287.407 3.053 50 0 CGAARO Cn1c(C[NH2+][C@@H]2CCCC2(C)C)nnc1-c1ccccc1 ZINC000191300882 189590966 /nfs/dbraw/zinc/59/09/66/189590966.db2.gz SYHMFCRHQWCVSO-CQSZACIVSA-N 1 0 284.407 3.150 50 0 CGAARO Cc1nc(C)c(C)c(-c2ccc(C[NH+](C)C)cc2)n1 ZINC000215419082 189694529 /nfs/dbraw/zinc/69/45/29/189694529.db2.gz OETCAKGJCFVPDY-UHFFFAOYSA-N 1 0 255.365 3.130 50 0 CGAARO Fc1ccc([C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)cc1 ZINC000459337442 242078902 /nfs/dbraw/zinc/07/89/02/242078902.db2.gz DTSPIUSBVRTVTJ-ZDUSSCGKSA-N 1 0 293.773 3.165 50 0 CGAARO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1COc2ccccc21 ZINC000097084655 299376998 /nfs/dbraw/zinc/37/69/98/299376998.db2.gz OYAVTYDDOOTBEU-OUCADQQQSA-N 1 0 263.406 3.036 50 0 CGAARO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000239527 368321776 /nfs/dbraw/zinc/32/17/76/368321776.db2.gz FAVAVROQEIRQGE-UHFFFAOYSA-N 1 0 253.345 3.254 50 0 CGAARO C[N@H+](CCc1ccccn1)Cc1c[nH]c2ccccc12 ZINC000000088068 368285368 /nfs/dbraw/zinc/28/53/68/368285368.db2.gz AJVOISXRLJWVLH-UHFFFAOYSA-N 1 0 265.360 3.237 50 0 CGAARO C[C@@H](OC(=O)c1cccc(Cl)c1)c1ccc[n+](C)c1 ZINC000000136719 368299555 /nfs/dbraw/zinc/29/95/55/368299555.db2.gz LOHVXYBNTCZGRG-LLVKDONJSA-N 1 0 276.743 3.083 50 0 CGAARO Cc1c(Cl)cccc1NC(=O)CC[NH+]1CCCCC1 ZINC000000176190 368309808 /nfs/dbraw/zinc/30/98/08/368309808.db2.gz BLDCCBDMQYRXLO-UHFFFAOYSA-N 1 0 280.799 3.463 50 0 CGAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(C)CC2)c1 ZINC000000255187 368325966 /nfs/dbraw/zinc/32/59/66/368325966.db2.gz REGDNQJSRFAGRJ-UHFFFAOYSA-N 1 0 274.408 3.364 50 0 CGAARO CCC[NH+]1CCC(NCc2cccc(Cl)c2)CC1 ZINC000000280062 368332077 /nfs/dbraw/zinc/33/20/77/368332077.db2.gz QENLOIJODZQRJF-UHFFFAOYSA-N 1 0 266.816 3.304 50 0 CGAARO C/C=C(\C)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000000278658 368332258 /nfs/dbraw/zinc/33/22/58/368332258.db2.gz CAHYBXRVISPHFZ-LHHJGKSTSA-N 1 0 258.409 3.392 50 0 CGAARO c1ccc(C2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000000810241 368396102 /nfs/dbraw/zinc/39/61/02/368396102.db2.gz CCNQDJBFEWKMBD-OFLPRAFFSA-N 1 0 259.393 3.481 50 0 CGAARO COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000000758883 368395002 /nfs/dbraw/zinc/39/50/02/368395002.db2.gz AXESQELEMGFISS-UHFFFAOYSA-N 1 0 263.287 3.263 50 0 CGAARO CCOC(=O)N1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000000757872 368395294 /nfs/dbraw/zinc/39/52/94/368395294.db2.gz XBGKIULXRSXZJJ-AWEZNQCLSA-N 1 0 290.407 3.001 50 0 CGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000002019970 368443659 /nfs/dbraw/zinc/44/36/59/368443659.db2.gz DBHPVKNFKBKJCE-INIZCTEOSA-N 1 0 299.414 3.481 50 0 in-man CGAARO Clc1cccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000002214363 368450126 /nfs/dbraw/zinc/45/01/26/368450126.db2.gz DACYRJAMGBYLIQ-LLVKDONJSA-N 1 0 295.795 3.440 50 0 CGAARO CN1CCC(c2ccccc2)(c2ccccc2)OC1 ZINC000001728944 368435527 /nfs/dbraw/zinc/43/55/27/368435527.db2.gz SQXLIGKICFPDMS-UHFFFAOYSA-N 1 0 253.345 3.240 50 0 CGAARO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccccc1 ZINC000002822661 368480418 /nfs/dbraw/zinc/48/04/18/368480418.db2.gz YKYJALSJLXEINP-MRXNPFEDSA-N 1 0 285.387 3.433 50 0 CGAARO c1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002839423 368481455 /nfs/dbraw/zinc/48/14/55/368481455.db2.gz MRAUNCIHZMAABJ-UHFFFAOYSA-N 1 0 297.398 3.140 50 0 CGAARO O=C(Nc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000003622400 368516308 /nfs/dbraw/zinc/51/63/08/368516308.db2.gz RKROQEVUVQKKGT-KRWDZBQOSA-N 1 0 295.386 3.083 50 0 CGAARO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H](O)c1ccc(O)cc1 ZINC000003831238 368519901 /nfs/dbraw/zinc/51/99/01/368519901.db2.gz PTGXAUBQBSGPKF-CLCXKQKWSA-N 1 0 299.414 3.425 50 0 world CGAARO COc1ccc2[nH+]c(C)cc(-n3nc(C)cc3C)c2c1 ZINC000004384703 368544589 /nfs/dbraw/zinc/54/45/89/368544589.db2.gz AIERMXHUNVFKSH-UHFFFAOYSA-N 1 0 267.332 3.354 50 0 CGAARO COc1ccc(CC[NH2+]Cc2sccc2C)cc1OC ZINC000004475597 368547098 /nfs/dbraw/zinc/54/70/98/368547098.db2.gz VNDVEQOLRGBBMM-UHFFFAOYSA-N 1 0 291.416 3.406 50 0 CGAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccccc2)N1O ZINC000005423866 368563579 /nfs/dbraw/zinc/56/35/79/368563579.db2.gz KNQMRGILCFUAMB-MRXNPFEDSA-N 1 0 282.343 3.168 50 0 CGAARO Fc1cccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000010218358 368577913 /nfs/dbraw/zinc/57/79/13/368577913.db2.gz KWNJIWSABKOTCB-CHWSQXEVSA-N 1 0 264.369 3.329 50 0 CGAARO Fc1cccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000010218355 368578682 /nfs/dbraw/zinc/57/86/82/368578682.db2.gz KWNJIWSABKOTCB-STQMWFEESA-N 1 0 264.369 3.329 50 0 CGAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccoc1 ZINC000010283010 368579687 /nfs/dbraw/zinc/57/96/87/368579687.db2.gz VYDJFNPNJYQLRJ-UHFFFAOYSA-N 1 0 298.386 3.196 50 0 CGAARO CCC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338444 368579913 /nfs/dbraw/zinc/57/99/13/368579913.db2.gz INHIEMRZCFJTGY-AWEZNQCLSA-N 1 0 274.408 3.201 50 0 CGAARO C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013468173 368653541 /nfs/dbraw/zinc/65/35/41/368653541.db2.gz RUYRAUWKVSWJFK-RNJTYBCJSA-N 1 0 267.372 3.459 50 0 CGAARO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000016293965 368711133 /nfs/dbraw/zinc/71/11/33/368711133.db2.gz MPRONTYUTNVFNX-JKIFEVAISA-N 1 0 277.408 3.488 50 0 CGAARO CCC[N@@H+](Cc1ccc(NC(C)=O)cc1)CC1CC1 ZINC000016662874 368720059 /nfs/dbraw/zinc/72/00/59/368720059.db2.gz FQSFWBBHBJYTEX-UHFFFAOYSA-N 1 0 260.381 3.267 50 0 CGAARO CC(C)[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1 ZINC000014076209 368674138 /nfs/dbraw/zinc/67/41/38/368674138.db2.gz MZCZYLCUVVETPB-DLBZAZTESA-N 1 0 282.387 3.200 50 0 CGAARO Clc1ccc(OCC2CC[NH2+]CC2)cc1Cl ZINC000014631439 368683068 /nfs/dbraw/zinc/68/30/68/368683068.db2.gz OQISLCLADOWXPN-UHFFFAOYSA-N 1 0 260.164 3.372 50 0 CGAARO COC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019609111 368758722 /nfs/dbraw/zinc/75/87/22/368758722.db2.gz FYBKWMRUNPEAMQ-UHFFFAOYSA-N 1 0 281.355 3.032 50 0 CGAARO FC(F)(F)c1cccc(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000019841404 368771384 /nfs/dbraw/zinc/77/13/84/368771384.db2.gz WMPHKVGGCCEZHM-NSHDSACASA-N 1 0 259.271 3.226 50 0 CGAARO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000019410905 368752168 /nfs/dbraw/zinc/75/21/68/368752168.db2.gz JTMHLXDCGFPGFI-JTQLQIEISA-N 1 0 273.163 3.074 50 0 CGAARO [NH3+]CCN[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000022917467 368814273 /nfs/dbraw/zinc/81/42/73/368814273.db2.gz FTVSEGQKCYXAEW-OAHLLOKOSA-N 1 0 278.758 3.117 50 0 CGAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000023053315 368815348 /nfs/dbraw/zinc/81/53/48/368815348.db2.gz OUDJBROPSMNHHC-UHFFFAOYSA-N 1 0 286.419 3.089 50 0 CGAARO C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000023652879 368823798 /nfs/dbraw/zinc/82/37/98/368823798.db2.gz KBICXAMYRQJAHA-OAHLLOKOSA-N 1 0 282.387 3.275 50 0 CGAARO C[NH+](C)CCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020000190 368793012 /nfs/dbraw/zinc/79/30/12/368793012.db2.gz CYYYFAGLDSAFSY-UHFFFAOYSA-N 1 0 281.709 3.117 50 0 CGAARO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000029173046 368893302 /nfs/dbraw/zinc/89/33/02/368893302.db2.gz LMNGOQHMFAPWAB-LLVKDONJSA-N 1 0 288.778 3.290 50 0 CGAARO Cc1[nH]c2ccc(F)cc2c1CC[NH2+]Cc1cccnc1 ZINC000036657730 369024220 /nfs/dbraw/zinc/02/42/20/369024220.db2.gz WBBBBQOMIRIYHH-UHFFFAOYSA-N 1 0 283.350 3.343 50 0 CGAARO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037157028 369073165 /nfs/dbraw/zinc/07/31/65/369073165.db2.gz GBXPNBYOJDOGAV-GHMZBOCLSA-N 1 0 281.762 3.415 50 0 CGAARO c1sc(CC[NH2+]C2CCCC2)nc1-c1ccccn1 ZINC000041622974 369193300 /nfs/dbraw/zinc/19/33/00/369193300.db2.gz NVGOJHXEPXVOMK-UHFFFAOYSA-N 1 0 273.405 3.280 50 0 CGAARO Brc1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042772153 369231302 /nfs/dbraw/zinc/23/13/02/369231302.db2.gz FVTOXVDXDYWZDL-LLVKDONJSA-N 1 0 284.197 3.218 50 0 CGAARO CC(C)(C)c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000042775376 369231806 /nfs/dbraw/zinc/23/18/06/369231806.db2.gz YVUYKWJXCMUXKE-NSHDSACASA-N 1 0 253.773 3.378 50 0 CGAARO CCCc1ccc(OC[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000042782938 369231880 /nfs/dbraw/zinc/23/18/80/369231880.db2.gz ORUGNIDWYIVFGI-AWEZNQCLSA-N 1 0 263.381 3.026 50 0 CGAARO Clc1ccc(OC[C@H]2CC[NH2+]C2)c2ccccc12 ZINC000042773362 369231968 /nfs/dbraw/zinc/23/19/68/369231968.db2.gz KCVAPLAIPAZZEA-NSHDSACASA-N 1 0 261.752 3.482 50 0 CGAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000042774844 369232119 /nfs/dbraw/zinc/23/21/19/369232119.db2.gz BJJYDBLMNZNVFW-NSHDSACASA-N 1 0 284.197 3.136 50 0 CGAARO O=C1CCc2c1cccc2OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055326631 369514322 /nfs/dbraw/zinc/51/43/22/369514322.db2.gz YOYDVGKDJXTVPL-WMLDXEAASA-N 1 0 299.414 3.459 50 0 CGAARO c1cc(C[N@H+](Cc2cccnc2)C[C@@H]2CCOC2)cs1 ZINC000055343101 369514465 /nfs/dbraw/zinc/51/44/65/369514465.db2.gz HAUNYQXLOZOHHF-HNNXBMFYSA-N 1 0 288.416 3.182 50 0 CGAARO CCCC[N@@H+]1Cc2ccc(NC(=O)C(C)C)cc2C1 ZINC000058168286 369556880 /nfs/dbraw/zinc/55/68/80/369556880.db2.gz VMQKSEJBBFFPTG-UHFFFAOYSA-N 1 0 260.381 3.397 50 0 CGAARO CSC(C)(C)C[C@H](C)[NH2+]Cc1csc(C)n1 ZINC000065384236 369671263 /nfs/dbraw/zinc/67/12/63/369671263.db2.gz HSXMUFVZUTWRHM-VIFPVBQESA-N 1 0 258.456 3.461 50 0 CGAARO C[N@H+](Cn1nccc1-c1ccncc1)C(C1CC1)C1CC1 ZINC000067094793 369711640 /nfs/dbraw/zinc/71/16/40/369711640.db2.gz OGPQQXITVURMED-UHFFFAOYSA-N 1 0 282.391 3.023 50 0 CGAARO Cc1ccsc1C[N@H+](C)CCC[C@H]1CCCO1 ZINC000065396620 369672430 /nfs/dbraw/zinc/67/24/30/369672430.db2.gz OKAVGJWWVPCSOQ-ZDUSSCGKSA-N 1 0 253.411 3.448 50 0 CGAARO OCc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)o1 ZINC000065432580 369676037 /nfs/dbraw/zinc/67/60/37/369676037.db2.gz TUVZBSKEAWOUFR-GFCCVEGCSA-N 1 0 291.778 3.415 50 0 CGAARO C[NH+](C)Cc1ccc(-c2cccc3cnccc32)nc1 ZINC000065534689 369682266 /nfs/dbraw/zinc/68/22/66/369682266.db2.gz ILBZGRZVMJKJJL-UHFFFAOYSA-N 1 0 263.344 3.358 50 0 CGAARO Cc1cnn(C[C@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)c1 ZINC000069511363 369761766 /nfs/dbraw/zinc/76/17/66/369761766.db2.gz DHTCOPQPZLLFHJ-AWEZNQCLSA-N 1 0 296.374 3.025 50 0 CGAARO CSCc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cc(C)cn2)o1 ZINC000069538514 369763393 /nfs/dbraw/zinc/76/33/93/369763393.db2.gz PPQJFDAZMCWTDH-QWHCGFSZSA-N 1 0 293.436 3.387 50 0 CGAARO Fc1c(Cl)cccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067789460 369729233 /nfs/dbraw/zinc/72/92/33/369729233.db2.gz PRNSEIHSSWBGBF-HNNXBMFYSA-N 1 0 282.790 3.055 50 0 CGAARO CSCC[C@H](C)[NH2+]CCc1nc2c(cccc2C)[nH]1 ZINC000067786532 369729291 /nfs/dbraw/zinc/72/92/91/369729291.db2.gz QHKZTUQLCAEFCL-LBPRGKRZSA-N 1 0 277.437 3.145 50 0 CGAARO c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000067843402 369731920 /nfs/dbraw/zinc/73/19/20/369731920.db2.gz RGGLDJMARVAQGW-MRXNPFEDSA-N 1 0 281.403 3.283 50 0 CGAARO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000075568113 369913616 /nfs/dbraw/zinc/91/36/16/369913616.db2.gz IDCJEKMHGSNAPM-SFHVURJKSA-N 1 0 296.414 3.059 50 0 CGAARO CSCc1ccc(N2CCC([C@@H](C)[NH+](C)C)CC2)nc1 ZINC000082139044 369999860 /nfs/dbraw/zinc/99/98/60/369999860.db2.gz HFVMDLLGICYBBV-CYBMUJFWSA-N 1 0 293.480 3.111 50 0 CGAARO COc1ccccc1CN(CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000083877898 370009741 /nfs/dbraw/zinc/00/97/41/370009741.db2.gz ABDCZYLRRPPCCH-INIZCTEOSA-N 1 0 288.435 3.144 50 0 CGAARO CCN(C)C(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000084760732 370014894 /nfs/dbraw/zinc/01/48/94/370014894.db2.gz CHQVGUJHHKLHSZ-INIZCTEOSA-N 1 0 274.408 3.000 50 0 CGAARO Cc1csc(CC[NH2+]Cc2cccc(F)c2F)n1 ZINC000089705556 370046569 /nfs/dbraw/zinc/04/65/69/370046569.db2.gz VQAYZTWYIBSSIQ-UHFFFAOYSA-N 1 0 268.332 3.062 50 0 CGAARO COc1ccccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812828 370103382 /nfs/dbraw/zinc/10/33/82/370103382.db2.gz UENOCMMTXXMQKC-HNNXBMFYSA-N 1 0 297.402 3.024 50 0 CGAARO Cc1ccnc(NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000095391258 370180938 /nfs/dbraw/zinc/18/09/38/370180938.db2.gz PMOYWJDKTISUAP-UHFFFAOYSA-N 1 0 296.418 3.109 50 0 CGAARO CC[NH+]1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000095393402 370182880 /nfs/dbraw/zinc/18/28/80/370182880.db2.gz BEYNCDVAFDRBPQ-UHFFFAOYSA-N 1 0 297.402 3.011 50 0 CGAARO COc1ccccc1[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC000093593724 370145451 /nfs/dbraw/zinc/14/54/51/370145451.db2.gz ZZWKKVUXIDAYIT-MRXNPFEDSA-N 1 0 282.387 3.388 50 0 CGAARO C[N@@H+](Cc1cccn1Cc1cccs1)C[C@H]1CCOC1 ZINC000093839661 370162822 /nfs/dbraw/zinc/16/28/22/370162822.db2.gz VOBNCQDAARQFFN-CQSZACIVSA-N 1 0 290.432 3.066 50 0 CGAARO COc1cc[nH+]c(N[C@@H](Cc2ccncc2)C(F)(F)F)c1 ZINC000097038802 370216060 /nfs/dbraw/zinc/21/60/60/370216060.db2.gz NUBPLGFQEWREAQ-LBPRGKRZSA-N 1 0 297.280 3.071 50 0 CGAARO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2)C2CCCC2)n1C ZINC000097034226 370216369 /nfs/dbraw/zinc/21/63/69/370216369.db2.gz PIFPFYHZRPQQTK-KRWDZBQOSA-N 1 0 298.434 3.015 50 0 CGAARO COc1cc[nH+]c(N[C@H](Cc2ccncc2)C(F)(F)F)c1 ZINC000097038804 370216576 /nfs/dbraw/zinc/21/65/76/370216576.db2.gz NUBPLGFQEWREAQ-GFCCVEGCSA-N 1 0 297.280 3.071 50 0 CGAARO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cncs2)CCO1 ZINC000097047088 370218960 /nfs/dbraw/zinc/21/89/60/370218960.db2.gz QRNWORPWYXGXIJ-OCCSQVGLSA-N 1 0 268.426 3.217 50 0 CGAARO c1c[nH]c(C[NH2+]C2(Cc3ccccc3)CCCC2)n1 ZINC000097112690 370227140 /nfs/dbraw/zinc/22/71/40/370227140.db2.gz FBQKVPAGGLTHSC-UHFFFAOYSA-N 1 0 255.365 3.055 50 0 CGAARO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000097146578 370230900 /nfs/dbraw/zinc/23/09/00/370230900.db2.gz LXGRXKJJWQACSE-JTNHKYCSSA-N 1 0 250.386 3.248 50 0 CGAARO CC(C)OC[C@@H](O)C[N@H+](C)Cc1csc2ccccc12 ZINC000097325273 370238104 /nfs/dbraw/zinc/23/81/04/370238104.db2.gz CGTVJLVGWFIHFV-AWEZNQCLSA-N 1 0 293.432 3.119 50 0 CGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)[nH]1 ZINC000097553372 370245580 /nfs/dbraw/zinc/24/55/80/370245580.db2.gz QKWWQGQPBFUCCH-OAHLLOKOSA-N 1 0 255.365 3.098 50 0 CGAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3ncon3)CC2)o1 ZINC000097638060 370249654 /nfs/dbraw/zinc/24/96/54/370249654.db2.gz ZRWOSRUDIKXHDS-GFCCVEGCSA-N 1 0 289.379 3.344 50 0 CGAARO COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000095419233 370186489 /nfs/dbraw/zinc/18/64/89/370186489.db2.gz VYXAZWVASSJMNA-QWRGUYRKSA-N 1 0 299.798 3.187 50 0 CGAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000095421670 370188103 /nfs/dbraw/zinc/18/81/03/370188103.db2.gz CKDMEGNXZXNFIY-CQSZACIVSA-N 1 0 287.407 3.021 50 0 CGAARO CSCC[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095422700 370189582 /nfs/dbraw/zinc/18/95/82/370189582.db2.gz LAQSAGJMWRVONV-NWDGAFQWSA-N 1 0 280.437 3.437 50 0 CGAARO Cc1ccc([C@H](C)[NH2+]CCOc2cccnc2)s1 ZINC000095422448 370190122 /nfs/dbraw/zinc/19/01/22/370190122.db2.gz GFLGVPNMSQEKKL-LBPRGKRZSA-N 1 0 262.378 3.181 50 0 CGAARO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccsc1 ZINC000095448812 370195320 /nfs/dbraw/zinc/19/53/20/370195320.db2.gz RJDXASNDAZAPBJ-IUODEOHRSA-N 1 0 261.390 3.350 50 0 CGAARO CCC[C@H](C)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000095450147 370197380 /nfs/dbraw/zinc/19/73/80/370197380.db2.gz USIHUBCJHGWPLL-DOTOQJQBSA-N 1 0 288.435 3.376 50 0 CGAARO c1ccc(-c2nc3c([nH]2)CN(c2cc[nH+]cc2)CC3)cc1 ZINC000095530401 370201038 /nfs/dbraw/zinc/20/10/38/370201038.db2.gz RNUAKENVMBSXCA-UHFFFAOYSA-N 1 0 276.343 3.034 50 0 CGAARO c1ccc(-c2nnc(SCC[C@H]3CCCC[NH2+]3)o2)cc1 ZINC000095908626 370201691 /nfs/dbraw/zinc/20/16/91/370201691.db2.gz BXQRBMIVTQUQLM-CYBMUJFWSA-N 1 0 289.404 3.361 50 0 CGAARO CCOc1ccc(C[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000098078548 370264254 /nfs/dbraw/zinc/26/42/54/370264254.db2.gz ZOAJCMSBOKLQKI-UHFFFAOYSA-N 1 0 287.407 3.079 50 0 CGAARO Cc1ccc(C[NH2+]C2CCN(c3ccccn3)CC2)cc1F ZINC000106409891 370351717 /nfs/dbraw/zinc/35/17/17/370351717.db2.gz NWQYBXQQZGRXQW-UHFFFAOYSA-N 1 0 299.393 3.288 50 0 CGAARO CCn1ncnc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426412671 372158143 /nfs/dbraw/zinc/15/81/43/372158143.db2.gz FTBNOQUBBLYAAP-CYBMUJFWSA-N 1 0 270.380 3.122 50 0 CGAARO CSc1n[nH]c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426496786 372161951 /nfs/dbraw/zinc/16/19/51/372161951.db2.gz DYUDVTTYJWVOSX-NSHDSACASA-N 1 0 288.420 3.350 50 0 CGAARO CC(C)(C)c1ccc(C[NH+]2CCC(O)CC2)s1 ZINC000162260066 372383808 /nfs/dbraw/zinc/38/38/08/372383808.db2.gz LXXDNSRBIXXXQX-UHFFFAOYSA-N 1 0 253.411 3.002 50 0 CGAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000170591539 372639140 /nfs/dbraw/zinc/63/91/40/372639140.db2.gz UBOHZYTYTUDPCK-HNNXBMFYSA-N 1 0 271.364 3.030 50 0 CGAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)no1 ZINC000170607269 372641631 /nfs/dbraw/zinc/64/16/31/372641631.db2.gz NATBUALIHZVSNV-KGLIPLIRSA-N 1 0 293.411 3.116 50 0 CGAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000170619327 372643099 /nfs/dbraw/zinc/64/30/99/372643099.db2.gz VQIUEDZQJZSQRT-UHFFFAOYSA-N 1 0 298.333 3.101 50 0 CGAARO C[C@H](C1CC1)[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000170621626 372643291 /nfs/dbraw/zinc/64/32/91/372643291.db2.gz HAMUDUVFCGIMRM-BFUOFWGJSA-N 1 0 277.433 3.057 50 0 CGAARO O=C(c1ccc(Cl)o1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421885 372960701 /nfs/dbraw/zinc/96/07/01/372960701.db2.gz NABVQIYKKLQNMS-UHFFFAOYSA-N 1 0 296.798 3.024 50 0 CGAARO Cc1n[nH]c(C)c1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000299764880 373609846 /nfs/dbraw/zinc/60/98/46/373609846.db2.gz VEJNYXFZUKIKPU-OAHLLOKOSA-N 1 0 287.382 3.198 50 0 CGAARO CCCCN(CCCC)C(=S)SCC[NH+](C)C ZINC000071772563 541896453 /nfs/dbraw/zinc/89/64/53/541896453.db2.gz SYIKMCKGMNZBNX-UHFFFAOYSA-N 1 0 276.515 3.468 50 0 CGAARO CC[N@H+](C)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000077242003 541911602 /nfs/dbraw/zinc/91/16/02/541911602.db2.gz GZCPUUGJTYEJJJ-UHFFFAOYSA-N 1 0 265.740 3.207 50 0 CGAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C2 ZINC000091315045 541966754 /nfs/dbraw/zinc/96/67/54/541966754.db2.gz JPGICUGNYWXNDE-WMZOPIPTSA-N 1 0 281.403 3.247 50 0 CGAARO c1cc2c3c(c1)CCC[C@@H]3C[C@H]2[NH2+]C1CCOCC1 ZINC000090974675 541965129 /nfs/dbraw/zinc/96/51/29/541965129.db2.gz WVOUDZHOURGBPI-CZUORRHYSA-N 1 0 257.377 3.320 50 0 CGAARO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000252493398 189977302 /nfs/dbraw/zinc/97/73/02/189977302.db2.gz NBIWATMHAMNBDH-SFHVURJKSA-N 1 0 298.434 3.111 50 0 CGAARO C[C@H]1CSc2ccccc2[C@H]1[NH2+]C1CCC(O)CC1 ZINC000095427043 541991668 /nfs/dbraw/zinc/99/16/68/541991668.db2.gz HTLOSJVIHACDEG-ITDKRANNSA-N 1 0 277.433 3.363 50 0 CGAARO CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000188113143 375160647 /nfs/dbraw/zinc/16/06/47/375160647.db2.gz CASNSBZZAYVVOM-IUODEOHRSA-N 1 0 294.826 3.044 50 0 CGAARO [NH3+][C@@H](CC(=O)N1CC2(CC2)c2ccccc21)c1ccccc1 ZINC000195544226 376112192 /nfs/dbraw/zinc/11/21/92/376112192.db2.gz UNFWTIAQVACRKQ-INIZCTEOSA-N 1 0 292.382 3.155 50 0 CGAARO C[C@@H](c1ccncn1)[N@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215067060 376144004 /nfs/dbraw/zinc/14/40/04/376144004.db2.gz FSGBPEMJHZKMGB-ZDUSSCGKSA-N 1 0 297.402 3.383 50 0 CGAARO Cc1ccc(Sc2ccc(CN3CC[C@@H]([NH3+])C3)o2)cc1 ZINC000215503597 376148427 /nfs/dbraw/zinc/14/84/27/376148427.db2.gz SSWCHZGNNNVNII-CYBMUJFWSA-N 1 0 288.416 3.272 50 0 CGAARO C[C@H](c1ccncn1)N(C)Cc1cc2ccccc2o1 ZINC000215989675 376155141 /nfs/dbraw/zinc/15/51/41/376155141.db2.gz BHYZQOZYOQJVKH-GFCCVEGCSA-N 1 0 267.332 3.416 50 0 CGAARO CCOc1cccc(C[N@H+](C)CC[C@@H]2CCCCO2)c1 ZINC000216327392 376160534 /nfs/dbraw/zinc/16/05/34/376160534.db2.gz WSZMIXQAOXDFKC-INIZCTEOSA-N 1 0 277.408 3.476 50 0 CGAARO CC[NH2+]Cc1ccccc1NC(=O)/C=C\c1ccc(C)o1 ZINC000221929321 376225446 /nfs/dbraw/zinc/22/54/46/376225446.db2.gz MJBGEFGRDOKAAZ-KHPPLWFESA-N 1 0 284.359 3.349 50 0 CGAARO C/C=C\CC[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000222110342 376229212 /nfs/dbraw/zinc/22/92/12/376229212.db2.gz NNYRXSYLIRZPLQ-MJSXRHKHSA-N 1 0 265.372 3.329 50 0 CGAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000227794340 376409584 /nfs/dbraw/zinc/40/95/84/376409584.db2.gz PCDWLXFOBVIDMN-LALPHHSUSA-N 1 0 292.810 3.131 50 0 CGAARO O=C(c1ccco1)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000237901831 376765830 /nfs/dbraw/zinc/76/58/30/376765830.db2.gz MOVSYQJTOLWRQC-UHFFFAOYSA-N 1 0 290.407 3.054 50 0 CGAARO Clc1ccc(CC[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000241316952 376779061 /nfs/dbraw/zinc/77/90/61/376779061.db2.gz LWJQCZZRRJJSKL-INIZCTEOSA-N 1 0 289.810 3.244 50 0 CGAARO CCc1cc(C[N@H+](C)[C@@H](C)Cc2ncccc2C)on1 ZINC000244691885 376793523 /nfs/dbraw/zinc/79/35/23/376793523.db2.gz JKUHMXVUVXKUOZ-ZDUSSCGKSA-N 1 0 273.380 3.003 50 0 CGAARO CSCC1CC[NH+](Cc2ccnc(C(C)C)n2)CC1 ZINC000244626839 376793595 /nfs/dbraw/zinc/79/35/95/376793595.db2.gz FTPVEKCXNIFCER-UHFFFAOYSA-N 1 0 279.453 3.175 50 0 CGAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2)[C@@H](C)C1 ZINC000245497915 376832245 /nfs/dbraw/zinc/83/22/45/376832245.db2.gz VABHHMYFXPQMHN-GOEBONIOSA-N 1 0 289.423 3.189 50 0 CGAARO Fc1ccc(/C=C/C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000245731520 376895613 /nfs/dbraw/zinc/89/56/13/376895613.db2.gz FFCZFXVVVCFKIB-PKUCDIRRSA-N 1 0 293.407 3.045 50 0 CGAARO CCNC(=O)CC[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000252509460 377636001 /nfs/dbraw/zinc/63/60/01/377636001.db2.gz YOFBNEHHDHRDMU-MRXNPFEDSA-N 1 0 292.398 3.269 50 0 CGAARO FC(F)Oc1ccc([C@@H]2C[N@H+](CC3CC3)CCO2)cc1 ZINC000253420928 377691714 /nfs/dbraw/zinc/69/17/14/377691714.db2.gz MOVJSWMDHVFQAE-AWEZNQCLSA-N 1 0 283.318 3.071 50 0 CGAARO COCC[C@@H]1CCCC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000253432217 377693881 /nfs/dbraw/zinc/69/38/81/377693881.db2.gz XDGQXGMXYAEHSB-INIZCTEOSA-N 1 0 293.455 3.411 50 0 CGAARO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC000253432314 377694305 /nfs/dbraw/zinc/69/43/05/377694305.db2.gz JQHAQKHCFMNSDN-CYBMUJFWSA-N 1 0 266.429 3.114 50 0 CGAARO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]c1)CCO2 ZINC000187545005 542245810 /nfs/dbraw/zinc/24/58/10/542245810.db2.gz LDJYFQZAWQFSQK-HNNXBMFYSA-N 1 0 272.348 3.027 50 0 CGAARO COc1ccc([C@H]([NH2+]Cc2ncccc2O)C(C)C)cc1 ZINC000408516872 380015037 /nfs/dbraw/zinc/01/50/37/380015037.db2.gz IFFYSLBKRCIDFL-QGZVFWFLSA-N 1 0 286.375 3.283 50 0 CGAARO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccsc2)cc1 ZINC000284139425 380129621 /nfs/dbraw/zinc/12/96/21/380129621.db2.gz UYBXUQVKGYLNOL-MRXNPFEDSA-N 1 0 290.432 3.149 50 0 CGAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCO1 ZINC000000214006 169577357 /nfs/dbraw/zinc/57/73/57/169577357.db2.gz QOCWURXZTFVSCH-FZMZJTMJSA-N 1 0 287.325 3.405 50 0 CGAARO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000000214803 169577700 /nfs/dbraw/zinc/57/77/00/169577700.db2.gz WCXJLSXVHUAADO-LBPRGKRZSA-N 1 0 294.370 3.097 50 0 CGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000004320488 184531878 /nfs/dbraw/zinc/53/18/78/184531878.db2.gz NNSJFMSDVCESAL-VDHUWJSZSA-N 1 0 297.483 3.357 50 0 CGAARO O=C(CC1=CCCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000096426731 256757459 /nfs/dbraw/zinc/75/74/59/256757459.db2.gz KACZVJLKAYFEDL-QGZVFWFLSA-N 1 0 290.451 3.211 50 0 CGAARO Cc1cc(C[NH+]2CCCC2)cc(-c2cncnc2)c1 ZINC000096179850 256887456 /nfs/dbraw/zinc/88/74/56/256887456.db2.gz JEUFEAZIWDICJE-UHFFFAOYSA-N 1 0 253.349 3.048 50 0 CGAARO C[C@H](CSC(C)(C)C)[NH2+]CCc1ccccn1 ZINC000095419143 184974721 /nfs/dbraw/zinc/97/47/21/184974721.db2.gz ICJIRGGHSUHUTL-GFCCVEGCSA-N 1 0 252.427 3.134 50 0 CGAARO Cc1cc(C)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(C)c1 ZINC000095457759 184992153 /nfs/dbraw/zinc/99/21/53/184992153.db2.gz UCAHIJDFWKZRNG-SJLPKXTDSA-N 1 0 289.419 3.040 50 0 CGAARO COc1ccc(CC[NH2+][C@H](C)Cc2ccc(OC)cc2)cc1 ZINC000000757563 533500535 /nfs/dbraw/zinc/50/05/35/533500535.db2.gz CSCVPHQCJHHRLK-OAHLLOKOSA-N 1 0 299.414 3.467 50 0 CGAARO C[C@@](O)(CC[NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000189834917 130028276 /nfs/dbraw/zinc/02/82/76/130028276.db2.gz GZRCXLHJCHIBEQ-MRXNPFEDSA-N 1 0 290.794 3.122 50 0 CGAARO CC(C)[N@@H+]1CCC[C@H](c2cccc(Br)n2)C1 ZINC000072343837 392205907 /nfs/dbraw/zinc/20/59/07/392205907.db2.gz BSQBPZQNXYQCLS-NSHDSACASA-N 1 0 283.213 3.432 50 0 CGAARO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000390833384 392927630 /nfs/dbraw/zinc/92/76/30/392927630.db2.gz GTTKPWOTVYUTGG-XUJVJEKNSA-N 1 0 283.799 3.042 50 0 CGAARO CCc1ccc(C[N@H+](C)CC[C@H]2CCCCO2)o1 ZINC000215240672 392987928 /nfs/dbraw/zinc/98/79/28/392987928.db2.gz HNGQCACYSCHIDV-CQSZACIVSA-N 1 0 251.370 3.233 50 0 CGAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CCOCC1 ZINC000037108013 292017697 /nfs/dbraw/zinc/01/76/97/292017697.db2.gz RASSGKQVVQAFOY-CQSZACIVSA-N 1 0 263.381 3.370 50 0 CGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000670444617 543154090 /nfs/dbraw/zinc/15/40/90/543154090.db2.gz RSYCJSRGROKRHK-OAHLLOKOSA-N 1 0 293.455 3.096 50 0 CGAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000670435735 543154320 /nfs/dbraw/zinc/15/43/20/543154320.db2.gz KFGXZNBECYPRDJ-WPTTZPOMSA-N 1 0 297.402 3.311 50 0 CGAARO CCc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3C)C2)o1 ZINC000670448393 543155805 /nfs/dbraw/zinc/15/58/05/543155805.db2.gz CBCFKJBBAUCHBT-OAHLLOKOSA-N 1 0 287.407 3.259 50 0 CGAARO OC1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000090800667 165242921 /nfs/dbraw/zinc/24/29/21/165242921.db2.gz SLQVVKZSKSSBKE-ORHYLEIMSA-N 1 0 281.396 3.256 50 0 CGAARO COCC[NH2+][C@H](C)CC[C@@H](C)Oc1ccccc1C ZINC000002931034 169844827 /nfs/dbraw/zinc/84/48/27/169844827.db2.gz ANTMRAXUVFNIQR-HUUCEWRRSA-N 1 0 265.397 3.167 50 0 CGAARO CC(=O)CCc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000004843139 170028752 /nfs/dbraw/zinc/02/87/52/170028752.db2.gz HPAQPMKPALJCNV-UHFFFAOYSA-N 1 0 289.419 3.319 50 0 CGAARO O=C(C[NH+]1CCCCC1)Nc1cccc2ccccc21 ZINC000004903211 170038889 /nfs/dbraw/zinc/03/88/89/170038889.db2.gz VYBDOYYRBRDOGR-UHFFFAOYSA-N 1 0 268.360 3.264 50 0 CGAARO COCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942959 170043554 /nfs/dbraw/zinc/04/35/54/170043554.db2.gz NOYNIBLEZDVZSN-UHFFFAOYSA-N 1 0 295.766 3.345 50 0 CGAARO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000005013604 170055084 /nfs/dbraw/zinc/05/50/84/170055084.db2.gz MPRONTYUTNVFNX-CKEIUWERSA-N 1 0 277.408 3.488 50 0 CGAARO Cc1ccc(C)c(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000005556993 170112967 /nfs/dbraw/zinc/11/29/67/170112967.db2.gz GWYXDJLFDMQROZ-ZDUSSCGKSA-N 1 0 289.404 3.403 50 0 CGAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005907680 170153653 /nfs/dbraw/zinc/15/36/53/170153653.db2.gz RBIDXKYFWJTIMW-KRWDZBQOSA-N 1 0 285.387 3.126 50 0 CGAARO CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000005908903 170153829 /nfs/dbraw/zinc/15/38/29/170153829.db2.gz YPZWNJUKRILYCT-CRAIPNDOSA-N 1 0 299.414 3.340 50 0 CGAARO Clc1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)cc1 ZINC000005974200 170164784 /nfs/dbraw/zinc/16/47/84/170164784.db2.gz GELALLNTKKLQLM-UHFFFAOYSA-N 1 0 261.756 3.197 50 0 in-vivo CGAARO CCC[NH+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000006698951 170227604 /nfs/dbraw/zinc/22/76/04/170227604.db2.gz DDOWYPPCJGFNHQ-UHFFFAOYSA-N 1 0 299.777 3.039 50 0 CGAARO CCC[NH+]1CCC(NC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000006700384 170229094 /nfs/dbraw/zinc/22/90/94/170229094.db2.gz IZXHARSXNLSLIM-UHFFFAOYSA-N 1 0 289.423 3.299 50 0 CGAARO COc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000006704085 170230710 /nfs/dbraw/zinc/23/07/10/170230710.db2.gz QTEPPUOVUCXBTM-KGLIPLIRSA-N 1 0 263.381 3.052 50 0 CGAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006747607 170239902 /nfs/dbraw/zinc/23/99/02/170239902.db2.gz MGQZRRSVIOLXOP-GOSISDBHSA-N 1 0 299.414 3.435 50 0 CGAARO C[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000008550120 170339502 /nfs/dbraw/zinc/33/95/02/170339502.db2.gz XHEDHTOSVORFJQ-UHFFFAOYSA-N 1 0 271.360 3.302 50 0 CGAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2)no1 ZINC000010090822 170397302 /nfs/dbraw/zinc/39/73/02/170397302.db2.gz YLFRQXDBIKDVDY-OAHLLOKOSA-N 1 0 299.374 3.149 50 0 CGAARO Cc1cc(OCC2CC[NH2+]CC2)cc(C)c1Cl ZINC000014631460 170640433 /nfs/dbraw/zinc/64/04/33/170640433.db2.gz FGYIDMDEHRMJKW-UHFFFAOYSA-N 1 0 253.773 3.335 50 0 CGAARO C[NH+](C)CCN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000019637103 170833071 /nfs/dbraw/zinc/83/30/71/170833071.db2.gz OXRUILAZGLWVNT-UHFFFAOYSA-N 1 0 286.394 3.390 50 0 CGAARO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000019878685 170907130 /nfs/dbraw/zinc/90/71/30/170907130.db2.gz RLDOTEXAQXQZQL-CYBMUJFWSA-N 1 0 261.365 3.023 50 0 CGAARO CC1(C)CC(NCc2ccc(F)c(F)c2)CC(C)(C)[NH2+]1 ZINC000020143097 171029246 /nfs/dbraw/zinc/02/92/46/171029246.db2.gz USFOYUUBGABTAI-UHFFFAOYSA-N 1 0 282.378 3.364 50 0 CGAARO CC[NH+]1CCN(CCCSc2ccc(C)cc2)CC1 ZINC000020389911 171179098 /nfs/dbraw/zinc/17/90/98/171179098.db2.gz YYHGBOOPUUAKJE-UHFFFAOYSA-N 1 0 278.465 3.115 50 0 CGAARO [NH3+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000020391215 171179426 /nfs/dbraw/zinc/17/94/26/171179426.db2.gz SPJBOTWJLJIHLV-CYBMUJFWSA-N 1 0 262.150 3.497 50 0 CGAARO Cc1ccc(CN(C)C(=O)CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020599118 171266151 /nfs/dbraw/zinc/26/61/51/171266151.db2.gz MRPZOOWJOJOOBX-MRXNPFEDSA-N 1 0 288.435 3.075 50 0 CGAARO CCc1noc([C@H](C)[NH2+][C@H](C)Cc2ccc(C)cc2)n1 ZINC000020908712 171279086 /nfs/dbraw/zinc/27/90/86/171279086.db2.gz CROOVDAOKHVUTH-OLZOCXBDSA-N 1 0 273.380 3.222 50 0 CGAARO Cc1n[nH]c(CCC[N@@H+]2CCC[C@@H](c3cccc(C)c3)C2)n1 ZINC000020913401 171279267 /nfs/dbraw/zinc/27/92/67/171279267.db2.gz FOEMUJFQYCGYNO-QGZVFWFLSA-N 1 0 298.434 3.234 50 0 CGAARO O=C(c1cccs1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021170671 171298812 /nfs/dbraw/zinc/29/88/12/171298812.db2.gz OFCHVIPHNOUWJA-CQSZACIVSA-N 1 0 292.448 3.229 50 0 CGAARO COc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1OC ZINC000023282837 171418397 /nfs/dbraw/zinc/41/83/97/171418397.db2.gz VXWGYHRFWPYUID-KRWDZBQOSA-N 1 0 297.398 3.351 50 0 CGAARO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000024643520 171438669 /nfs/dbraw/zinc/43/86/69/171438669.db2.gz PLMJLAVQRISHDV-CYBMUJFWSA-N 1 0 258.365 3.043 50 0 CGAARO Clc1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580895 174148730 /nfs/dbraw/zinc/14/87/30/174148730.db2.gz CDGTWHSGYHVEGS-MRVPVSSYSA-N 1 0 290.588 3.091 50 0 CGAARO C[NH+](C)Cc1cccc(CNc2ncnc3sccc32)c1 ZINC000043997869 175136831 /nfs/dbraw/zinc/13/68/31/175136831.db2.gz WVCIUBCQLSGFBE-UHFFFAOYSA-N 1 0 298.415 3.365 50 0 CGAARO C[C@H](CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000046408540 175396116 /nfs/dbraw/zinc/39/61/16/175396116.db2.gz VYINIZWZBHTIDT-CQSZACIVSA-N 1 0 282.387 3.054 50 0 CGAARO O=C(c1cc2ccccc2o1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071821540 176270857 /nfs/dbraw/zinc/27/08/57/176270857.db2.gz UGXSPJFBLBJSPU-OAHLLOKOSA-N 1 0 298.386 3.133 50 0 CGAARO CCC[NH2+]Cc1ccc(-c2cc(N)nc3[nH]ccc32)cc1 ZINC000072169494 176332549 /nfs/dbraw/zinc/33/25/49/176332549.db2.gz XSFGMEFQEBPIHU-UHFFFAOYSA-N 1 0 280.375 3.312 50 0 CGAARO Fc1ccc(OC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000072286222 176360165 /nfs/dbraw/zinc/36/01/65/176360165.db2.gz ASVMRQXXNCCNTO-UHFFFAOYSA-N 1 0 286.350 3.264 50 0 CGAARO CC(=O)Nc1cccc(C[N@@H+](C(C)C)C2CCOCC2)c1 ZINC000077322687 177252584 /nfs/dbraw/zinc/25/25/84/177252584.db2.gz AJCNXZHANHPADE-UHFFFAOYSA-N 1 0 290.407 3.034 50 0 CGAARO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC000078947931 177408865 /nfs/dbraw/zinc/40/88/65/177408865.db2.gz FZUWAYQASXMSGK-MSOLQXFVSA-N 1 0 282.387 3.170 50 0 CGAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000001475830 416444382 /nfs/dbraw/zinc/44/43/82/416444382.db2.gz PVKIUROLYYTRPP-OAHLLOKOSA-N 1 0 277.408 3.036 50 0 CGAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000001475831 416444431 /nfs/dbraw/zinc/44/44/31/416444431.db2.gz PVKIUROLYYTRPP-HNNXBMFYSA-N 1 0 277.408 3.036 50 0 CGAARO Cc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000112716539 416497769 /nfs/dbraw/zinc/49/77/69/416497769.db2.gz HGBQRXODPKZVMA-QWRGUYRKSA-N 1 0 288.313 3.306 50 0 CGAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000685939661 544110380 /nfs/dbraw/zinc/11/03/80/544110380.db2.gz BASBTHJSDCVHTO-BPNCWPANSA-N 1 0 281.396 3.113 50 0 CGAARO COc1ccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc1O ZINC000657864701 419393463 /nfs/dbraw/zinc/39/34/63/419393463.db2.gz PBHXCOXLJOAXNZ-VIFPVBQESA-N 1 0 273.323 3.170 50 0 CGAARO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000012648262 260063448 /nfs/dbraw/zinc/06/34/48/260063448.db2.gz IJLXSEZUQISPRL-HNNXBMFYSA-N 1 0 290.407 3.176 50 0 CGAARO CCCOc1ccc(OCC[NH+](CC)CC)cc1 ZINC000016489045 260099322 /nfs/dbraw/zinc/09/93/22/260099322.db2.gz FJLHBBQXSZSYPJ-UHFFFAOYSA-N 1 0 251.370 3.196 50 0 CGAARO C[NH2+][C@H](CO)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248235 270197574 /nfs/dbraw/zinc/19/75/74/270197574.db2.gz JWEHDSXUALCIAY-GOSISDBHSA-N 1 0 283.371 3.148 50 0 CGAARO CC(C)(C)c1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774677 273502695 /nfs/dbraw/zinc/50/26/95/273502695.db2.gz LIALYUKMYRMKKF-LLVKDONJSA-N 1 0 298.224 3.487 50 0 CGAARO COc1ccccc1N1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC000000277011 274158803 /nfs/dbraw/zinc/15/88/03/274158803.db2.gz UIXAGJDENQATEF-LSDHHAIUSA-N 1 0 274.408 3.006 50 0 CGAARO COC(=O)CCCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000240757007 277054764 /nfs/dbraw/zinc/05/47/64/277054764.db2.gz HVVNUEFMSPDTDN-UHFFFAOYSA-N 1 0 285.453 3.081 50 0 CGAARO C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971839 277601849 /nfs/dbraw/zinc/60/18/49/277601849.db2.gz IPLZHOOBPJFPAC-RXMQYKEDSA-N 1 0 268.076 3.488 50 0 CGAARO C[C@@H]1[C@H](O)CC[C@@]2(C)C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000013401205 278105142 /nfs/dbraw/zinc/10/51/42/278105142.db2.gz WOBWPNVQJOHAFG-OWLYRPNTSA-N 1 0 273.420 3.306 50 0 CGAARO CSc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCOC1)C2 ZINC000244724276 278174988 /nfs/dbraw/zinc/17/49/88/278174988.db2.gz MRAREYAXZDHHDH-CYBMUJFWSA-N 1 0 277.433 3.193 50 0 CGAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1 ZINC000075568122 278222285 /nfs/dbraw/zinc/22/22/85/278222285.db2.gz HIZBBGKTPFWAAG-AWEZNQCLSA-N 1 0 268.360 3.194 50 0 CGAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cccs1 ZINC000000808169 278242631 /nfs/dbraw/zinc/24/26/31/278242631.db2.gz KGHVRLNTUNWPCB-ZDUSSCGKSA-N 1 0 289.400 3.425 50 0 CGAARO C[C@@H]1[C@@H](O)CC[C@@]2(C)C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000004110401 279094623 /nfs/dbraw/zinc/09/46/23/279094623.db2.gz WOBWPNVQJOHAFG-DKIMLUQUSA-N 1 0 273.420 3.306 50 0 CGAARO C[C@H](CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000252585449 279267517 /nfs/dbraw/zinc/26/75/17/279267517.db2.gz IPECYTQNNIXORO-WRXMGDCGSA-N 1 0 293.476 3.315 50 0 CGAARO Cc1cc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000003583662 280391700 /nfs/dbraw/zinc/39/17/00/280391700.db2.gz RULJZDLXKRZLJI-OAHLLOKOSA-N 1 0 274.408 3.425 50 0 CGAARO C[C@H](C[NH+](C)C)N(C(=O)c1ccccc1)c1ccccc1 ZINC000002021074 289513776 /nfs/dbraw/zinc/51/37/76/289513776.db2.gz DIZFACPPEWMLEL-OAHLLOKOSA-N 1 0 282.387 3.284 50 0 CGAARO C[N@@H+]1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000001280092 290188678 /nfs/dbraw/zinc/18/86/78/290188678.db2.gz JAQUASYNZVUNQP-PVAVHDDUSA-N 1 0 257.377 3.080 50 0 world CGAARO c1ccc(N2CC[C@H]([NH2+]CCCOC3CCCC3)C2)cc1 ZINC000534653897 328338543 /nfs/dbraw/zinc/33/85/43/328338543.db2.gz WKGKKPKKWVNKCY-INIZCTEOSA-N 1 0 288.435 3.204 50 0 CGAARO Fc1cccc(-c2cc(C[NH2+][C@H]3CCCSC3)on2)c1 ZINC000534669252 328346718 /nfs/dbraw/zinc/34/67/18/328346718.db2.gz IWUKXDWXHKNVHS-ZDUSSCGKSA-N 1 0 292.379 3.466 50 0 CGAARO CC[C@@H]([NH2+]C1CSCCSC1)c1nccs1 ZINC000534662723 328350698 /nfs/dbraw/zinc/35/06/98/328350698.db2.gz DJCOXCZHUQVOGI-SNVBAGLBSA-N 1 0 274.480 3.032 50 0 CGAARO Cc1nc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)no1 ZINC000092787957 327195369 /nfs/dbraw/zinc/19/53/69/327195369.db2.gz XXLVIEFHCABPMR-UHFFFAOYSA-N 1 0 296.374 3.239 50 0 CGAARO C[C@@H](O)[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573437 336056446 /nfs/dbraw/zinc/05/64/46/336056446.db2.gz QMAFHXULSZVICC-UMVBOHGHSA-N 1 0 265.372 3.022 50 0 CGAARO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000195568501 336056536 /nfs/dbraw/zinc/05/65/36/336056536.db2.gz MEKGLWAGQJWWNX-CFVMTHIKSA-N 1 0 274.412 3.003 50 0 CGAARO Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H]3CCOC3)ccc2n1 ZINC000097862072 534468735 /nfs/dbraw/zinc/46/87/35/534468735.db2.gz FLGYDXSIIOHHKA-XJKSGUPXSA-N 1 0 270.376 3.058 50 0 CGAARO Fc1cccc2[nH]c(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)cc21 ZINC000436281265 534527454 /nfs/dbraw/zinc/52/74/54/534527454.db2.gz GMMSNTUVVKDUMM-XGWLTEMNSA-N 1 0 288.366 3.354 50 0 CGAARO CC(=O)N1CCC[N@@H+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000098016209 526561354 /nfs/dbraw/zinc/56/13/54/526561354.db2.gz ZEYNMXAIPOHIOV-GOSISDBHSA-N 1 0 286.419 3.008 50 0 CGAARO O[C@@H]1C[N@H+](CC2CC2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067982198 527677978 /nfs/dbraw/zinc/67/79/78/527677978.db2.gz CGZJCXKAURYNIJ-RBUKOAKNSA-N 1 0 281.399 3.400 50 0 CGAARO COc1ccc([C@@H]([NH2+]C2CCCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000243892855 536890560 /nfs/dbraw/zinc/89/05/60/536890560.db2.gz ALZWRKZNJMTXQP-HACGYAERSA-N 1 0 293.382 3.179 50 0 CGAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000000472751 567832057 /nfs/dbraw/zinc/83/20/57/567832057.db2.gz HODHHLNKRDRPNY-OAHLLOKOSA-N 1 0 275.392 3.235 50 0 CGAARO CC(C)(C)NC1=[NH+][C@@H]2CCCC[C@H]2NC12CCCCC2 ZINC000075567130 572416322 /nfs/dbraw/zinc/41/63/22/572416322.db2.gz RZTJQMMSLXAODI-ZIAGYGMSSA-N 1 0 277.456 3.390 50 0 CGAARO C[N@H+](Cc1cccnc1N)C[C@]1(c2ccccc2)CC1(C)C ZINC000952964527 616082533 /nfs/dbraw/zinc/08/25/33/616082533.db2.gz NZDZKANTWQXMBE-IBGZPJMESA-N 1 0 295.430 3.464 50 0 CGAARO c1ccc2c(c1)cccc2OCCCC[NH+]1CCOCC1 ZINC000023115421 618677633 /nfs/dbraw/zinc/67/76/33/618677633.db2.gz TUCOMTINBNBALG-UHFFFAOYSA-N 1 0 285.387 3.331 50 0 CGAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092972233 619161268 /nfs/dbraw/zinc/16/12/68/619161268.db2.gz QEWJAAFRQLWWKR-UXGDDLMTSA-N 1 0 263.356 3.074 50 0 CGAARO C[C@H](C[C@H](C)[NH2+]CCn1ccnc1)SC1CCCC1 ZINC000888098165 619259937 /nfs/dbraw/zinc/25/99/37/619259937.db2.gz CBSLIQLVFRXLFQ-UONOGXRCSA-N 1 0 281.469 3.316 50 0 CGAARO COc1ccccc1[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850425647 624195581 /nfs/dbraw/zinc/19/55/81/624195581.db2.gz OITIMJGAQLYTPD-DUFGSWQCSA-N 1 0 289.419 3.143 50 0 CGAARO COCCCC1(C[NH2+]Cc2noc3c2CCCC3)CCC1 ZINC000864088594 629765262 /nfs/dbraw/zinc/76/52/62/629765262.db2.gz FMHAGCJGAPNIAU-UHFFFAOYSA-N 1 0 292.423 3.240 50 0 CGAARO C[C@H]([NH2+]Cc1ccccc1OCCO)C1=CCCCC1 ZINC000952967521 636775770 /nfs/dbraw/zinc/77/57/70/636775770.db2.gz ARMBUPUVWHBNIL-AWEZNQCLSA-N 1 0 275.392 3.036 50 0 CGAARO Cc1nnc([C@H](C)[NH2+]C2CCC3(CC3(F)F)CC2)s1 ZINC000952993178 636776727 /nfs/dbraw/zinc/77/67/27/636776727.db2.gz QCFVFIDPMLBEPW-JNHNWMDNSA-N 1 0 287.379 3.465 50 0 CGAARO Cc1cc2ccccc2n1CC[NH2+]Cc1nc(C)c(C)n1C ZINC000952988447 636777445 /nfs/dbraw/zinc/77/74/45/636777445.db2.gz PUQMMENTSGTUEG-UHFFFAOYSA-N 1 0 296.418 3.090 50 0 CGAARO C[C@H]([NH2+]CCn1c2ccccc2oc1=O)C1=CCCCC1 ZINC000952978186 636777535 /nfs/dbraw/zinc/77/75/35/636777535.db2.gz XQPQCQDSSVNZIC-ZDUSSCGKSA-N 1 0 286.375 3.073 50 0 CGAARO [NH3+][C@H](c1ccc(F)cc1)C1(O)CCCCCCC1 ZINC000958528203 640826950 /nfs/dbraw/zinc/82/69/50/640826950.db2.gz NXJVBTQXUCLXSU-CQSZACIVSA-N 1 0 251.345 3.301 50 0 CGAARO Cc1sc2ncnc(Nc3cc[nH+]cc3)c2c1C ZINC000000245257 640920305 /nfs/dbraw/zinc/92/03/05/640920305.db2.gz QEVLOJYSMJAEOD-UHFFFAOYSA-N 1 0 256.334 3.447 50 0 CGAARO C[C@H](CCCC(C)(C)O)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000032553444 798849261 /nfs/dbraw/zinc/84/92/61/798849261.db2.gz SYCRHRPRHUVTFA-HZPDHXFCSA-N 1 0 290.451 3.185 50 0 CGAARO C[C@@H](CCCC(C)(C)O)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000032553442 798849774 /nfs/dbraw/zinc/84/97/74/798849774.db2.gz SYCRHRPRHUVTFA-JKSUJKDBSA-N 1 0 290.451 3.185 50 0 CGAARO O=C(CC1CCCC1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581788270 799674511 /nfs/dbraw/zinc/67/45/11/799674511.db2.gz ZBLZKYYRPGBDDE-QGZVFWFLSA-N 1 0 292.467 3.291 50 0 CGAARO CCOC1(c2nc(-c3ccc4c[nH+]cn4c3)no2)CCCC1 ZINC000585120375 799677284 /nfs/dbraw/zinc/67/72/84/799677284.db2.gz KFMDFTKQJVCLHC-UHFFFAOYSA-N 1 0 298.346 3.190 50 0 CGAARO CC(C)Oc1cncc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000708008250 799982144 /nfs/dbraw/zinc/98/21/44/799982144.db2.gz BZFDIAWOPGNNEU-UHFFFAOYSA-N 1 0 254.333 3.139 50 0 CGAARO c1csc(CC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000711913658 800081541 /nfs/dbraw/zinc/08/15/41/800081541.db2.gz UTCFCZNFEWNYBW-HIFRSBDPSA-N 1 0 265.422 3.085 50 0 CGAARO Cc1c(C[N@H+](C)C[C@H]2CCOC2)[nH]c2ccc(F)cc12 ZINC000823701062 800469000 /nfs/dbraw/zinc/46/90/00/800469000.db2.gz CWPHPTHXSHQLHP-GFCCVEGCSA-N 1 0 276.355 3.084 50 0 CGAARO