smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)cccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000161004423 540029414 /nfs/dbraw/zinc/02/94/14/540029414.db2.gz SLLJKXGYMAPKLQ-UHFFFAOYSA-N 1 2 327.384 1.470 20 70 EDIDLO Cc1ccc(CNC(=O)CSCC[NH+]2CCOCC2)cc1F ZINC000159875386 206269216 /nfs/dbraw/zinc/26/92/16/206269216.db2.gz RBYIFPXUXWWUGB-UHFFFAOYSA-N 1 2 326.437 1.816 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000160489645 206299912 /nfs/dbraw/zinc/29/99/12/206299912.db2.gz PMHJVNGLMQLLAI-UHFFFAOYSA-N 1 2 325.372 1.072 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000160702081 206310548 /nfs/dbraw/zinc/31/05/48/206310548.db2.gz VMLJLTJSXXTAOD-UHFFFAOYSA-N 1 2 334.401 1.158 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000160702081 206310554 /nfs/dbraw/zinc/31/05/54/206310554.db2.gz VMLJLTJSXXTAOD-UHFFFAOYSA-N 1 2 334.401 1.158 20 70 EDIDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161264147 206338039 /nfs/dbraw/zinc/33/80/39/206338039.db2.gz WIIMLSREDVJBPR-UHFFFAOYSA-N 1 2 348.447 1.641 20 70 EDIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159374002 441808762 /nfs/dbraw/zinc/80/87/62/441808762.db2.gz DTVAEXVIQSPZDS-OAHLLOKOSA-N 1 2 340.431 1.762 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159725132 441831634 /nfs/dbraw/zinc/83/16/34/441831634.db2.gz SYZUVBSCFVADTM-KBPBESRZSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159725132 441831640 /nfs/dbraw/zinc/83/16/40/441831640.db2.gz SYZUVBSCFVADTM-KBPBESRZSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000159784049 441838159 /nfs/dbraw/zinc/83/81/59/441838159.db2.gz JVENJDWXZHLCMW-HNAYVOBHSA-N 1 2 329.444 1.726 20 70 EDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000160454077 441884760 /nfs/dbraw/zinc/88/47/60/441884760.db2.gz GROJYPDDFUJFFX-RDJZCZTQSA-N 1 2 347.390 1.298 20 70 EDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000160454077 441884769 /nfs/dbraw/zinc/88/47/69/441884769.db2.gz GROJYPDDFUJFFX-RDJZCZTQSA-N 1 2 347.390 1.298 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000160901949 441933393 /nfs/dbraw/zinc/93/33/93/441933393.db2.gz KWVCYYUPISYBRR-MRXNPFEDSA-N 1 2 330.432 1.934 20 70 EDIDLO CC(=O)Nc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161407090 441996312 /nfs/dbraw/zinc/99/63/12/441996312.db2.gz JOMHEMKWYIJYTD-OAHLLOKOSA-N 1 2 326.400 1.763 20 70 EDIDLO CCc1ccccc1NC(=O)C[N@H+](C)CCCCS(C)(=O)=O ZINC000161188117 540030883 /nfs/dbraw/zinc/03/08/83/540030883.db2.gz OHGQSQWWDSVTTH-UHFFFAOYSA-N 1 2 326.462 1.944 20 70 EDIDLO CCc1ccccc1NC(=O)C[N@@H+](C)CCCCS(C)(=O)=O ZINC000161188117 540030885 /nfs/dbraw/zinc/03/08/85/540030885.db2.gz OHGQSQWWDSVTTH-UHFFFAOYSA-N 1 2 326.462 1.944 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000160000749 206274888 /nfs/dbraw/zinc/27/48/88/206274888.db2.gz VXPZZTFZKBBDBF-FMKPAKJESA-N 1 2 348.447 1.186 20 70 EDIDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000160395329 206294302 /nfs/dbraw/zinc/29/43/02/206294302.db2.gz JCSUBSPECNXYGF-LBPRGKRZSA-N 1 2 346.424 1.081 20 70 EDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](CC(N)=O)CC(C)C)c2c1 ZINC000160544530 206303152 /nfs/dbraw/zinc/30/31/52/206303152.db2.gz VXUMGXCMXHRKHH-UHFFFAOYSA-N 1 2 345.399 1.581 20 70 EDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](CC(N)=O)CC(C)C)c2c1 ZINC000160544530 206303157 /nfs/dbraw/zinc/30/31/57/206303157.db2.gz VXUMGXCMXHRKHH-UHFFFAOYSA-N 1 2 345.399 1.581 20 70 EDIDLO Cc1nc(CC(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(C)s1 ZINC000160845016 206315647 /nfs/dbraw/zinc/31/56/47/206315647.db2.gz QSHQKAQBHVFXDN-JTQLQIEISA-N 1 2 338.502 1.938 20 70 EDIDLO Cn1cnnc1CN1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000160860895 206316209 /nfs/dbraw/zinc/31/62/09/206316209.db2.gz YQZJUMZKSBXBSL-UHFFFAOYSA-N 1 2 345.838 1.434 20 70 EDIDLO COC[C@@H](O)CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000161394363 206347004 /nfs/dbraw/zinc/34/70/04/206347004.db2.gz PXRZGECQDKPUNS-JKSUJKDBSA-N 1 2 338.473 1.290 20 70 EDIDLO Cn1cc(N2CC[C@@H]([NH+]3CCC([C@H](O)C(F)(F)F)CC3)C2=O)cn1 ZINC000161399890 302926514 /nfs/dbraw/zinc/92/65/14/302926514.db2.gz PWBQJXIRFNZPSI-OLZOCXBDSA-N 1 2 346.353 1.161 20 70 EDIDLO CCOc1cc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1OC ZINC000159720707 441832482 /nfs/dbraw/zinc/83/24/82/441832482.db2.gz DJBBCOIJZCXELX-OUEBKFTGSA-N 1 2 346.427 1.649 20 70 EDIDLO CCOc1cc(/C=C/C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1OC ZINC000159720707 441832487 /nfs/dbraw/zinc/83/24/87/441832487.db2.gz DJBBCOIJZCXELX-OUEBKFTGSA-N 1 2 346.427 1.649 20 70 EDIDLO Cc1c(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cnn1C ZINC000160334058 441873389 /nfs/dbraw/zinc/87/33/89/441873389.db2.gz GCCFFLQSIUAHGQ-UHFFFAOYSA-N 1 2 328.420 1.592 20 70 EDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC3(CCOC)CC3)C2)CC1 ZINC000160966833 441941321 /nfs/dbraw/zinc/94/13/21/441941321.db2.gz AVRRWWMDNWTNMC-INIZCTEOSA-N 1 2 338.496 1.225 20 70 EDIDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cnn(C)c1 ZINC000161090959 441955434 /nfs/dbraw/zinc/95/54/34/441955434.db2.gz GBVFOEYZULEVRU-UHFFFAOYSA-N 1 2 330.432 1.909 20 70 EDIDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1cnn(C)c1 ZINC000161090959 441955439 /nfs/dbraw/zinc/95/54/39/441955439.db2.gz GBVFOEYZULEVRU-UHFFFAOYSA-N 1 2 330.432 1.909 20 70 EDIDLO O=C(NCCn1cc[nH+]c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159867359 206266245 /nfs/dbraw/zinc/26/62/45/206266245.db2.gz LPUYCMWGUKRJRF-SECBINFHSA-N 1 2 327.310 1.546 20 70 EDIDLO C[C@@]1(O)CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000159919514 206269669 /nfs/dbraw/zinc/26/96/69/206269669.db2.gz HBYXZTLVLQLIMM-LJQANCHMSA-N 1 2 347.459 1.575 20 70 EDIDLO COC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160131273 206280281 /nfs/dbraw/zinc/28/02/81/206280281.db2.gz SWASLYHTMDYDIP-OAHLLOKOSA-N 1 2 348.443 1.724 20 70 EDIDLO COC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160131273 206280285 /nfs/dbraw/zinc/28/02/85/206280285.db2.gz SWASLYHTMDYDIP-OAHLLOKOSA-N 1 2 348.443 1.724 20 70 EDIDLO CCS(=O)(=O)CCN(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160520151 206301588 /nfs/dbraw/zinc/30/15/88/206301588.db2.gz LIHPZQBARUDREE-UHFFFAOYSA-N 1 2 341.477 1.195 20 70 EDIDLO CCS(=O)(=O)CCN(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160520151 206301590 /nfs/dbraw/zinc/30/15/90/206301590.db2.gz LIHPZQBARUDREE-UHFFFAOYSA-N 1 2 341.477 1.195 20 70 EDIDLO CCCC[N@H+](CC(N)=O)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12 ZINC000160598447 206306169 /nfs/dbraw/zinc/30/61/69/206306169.db2.gz SUGOBWSJYQQVNR-UHFFFAOYSA-N 1 2 345.399 1.725 20 70 EDIDLO CCCC[N@@H+](CC(N)=O)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12 ZINC000160598447 206306172 /nfs/dbraw/zinc/30/61/72/206306172.db2.gz SUGOBWSJYQQVNR-UHFFFAOYSA-N 1 2 345.399 1.725 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1sccc1-n1cnnn1 ZINC000161275042 206338445 /nfs/dbraw/zinc/33/84/45/206338445.db2.gz YPFIPPNNNQYQSZ-LLVKDONJSA-N 1 2 341.400 1.128 20 70 EDIDLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCO1 ZINC000161474892 206351243 /nfs/dbraw/zinc/35/12/43/206351243.db2.gz SXAQRDPFYIAFKK-QGZVFWFLSA-N 1 2 335.423 1.633 20 70 EDIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC1CCOCC1 ZINC000159508037 441817885 /nfs/dbraw/zinc/81/78/85/441817885.db2.gz KLHOWUKZNLAKJS-IBGZPJMESA-N 1 2 330.428 1.456 20 70 EDIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC1CCOCC1 ZINC000159508037 441817891 /nfs/dbraw/zinc/81/78/91/441817891.db2.gz KLHOWUKZNLAKJS-IBGZPJMESA-N 1 2 330.428 1.456 20 70 EDIDLO C[C@H]1CCC[C@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000159526517 441818862 /nfs/dbraw/zinc/81/88/62/441818862.db2.gz DDUASYDRZRUYNZ-KBPBESRZSA-N 1 2 342.447 1.838 20 70 EDIDLO CC[C@H](O)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000160842604 441927989 /nfs/dbraw/zinc/92/79/89/441927989.db2.gz ADUMTBKYVYQDBQ-BBRMVZONSA-N 1 2 346.431 1.978 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000160939271 441937963 /nfs/dbraw/zinc/93/79/63/441937963.db2.gz YAFSJBKFFCRSCT-UHFFFAOYSA-N 1 2 331.376 1.544 20 70 EDIDLO Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1F ZINC000161180386 441966824 /nfs/dbraw/zinc/96/68/24/441966824.db2.gz OORARFMPGZPRKC-LLVKDONJSA-N 1 2 339.392 1.810 20 70 EDIDLO C[NH+]1CCN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000217662535 443057327 /nfs/dbraw/zinc/05/73/27/443057327.db2.gz YFRYVKMSXHFQHQ-UHFFFAOYSA-N 1 2 326.422 1.878 20 70 EDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000160825671 540026998 /nfs/dbraw/zinc/02/69/98/540026998.db2.gz NFIKHMPCYJIAPO-UHFFFAOYSA-N 1 2 338.429 1.510 20 70 EDIDLO O=C(c1cccc(-n2ccnn2)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160267237 206288175 /nfs/dbraw/zinc/28/81/75/206288175.db2.gz FOCNVRBOELKYFC-UHFFFAOYSA-N 1 2 348.410 1.620 20 70 EDIDLO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160592386 206304403 /nfs/dbraw/zinc/30/44/03/206304403.db2.gz WAVTXERQXJUKMU-WMZOPIPTSA-N 1 2 346.475 1.970 20 70 EDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C[C@@H]21 ZINC000159696404 441829923 /nfs/dbraw/zinc/82/99/23/441829923.db2.gz DWTKQCWTSDVCSE-HOTGVXAUSA-N 1 2 330.363 1.371 20 70 EDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C[C@@H]21 ZINC000159696404 441829929 /nfs/dbraw/zinc/82/99/29/441829929.db2.gz DWTKQCWTSDVCSE-HOTGVXAUSA-N 1 2 330.363 1.371 20 70 EDIDLO Cc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161172462 441966414 /nfs/dbraw/zinc/96/64/14/441966414.db2.gz RKEQUJJETKOYDP-ZDUSSCGKSA-N 1 2 335.429 1.348 20 70 EDIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000161346149 441989051 /nfs/dbraw/zinc/98/90/51/441989051.db2.gz PKLOKIIZSPVURD-CYBMUJFWSA-N 1 2 335.452 1.260 20 70 EDIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000161346149 441989056 /nfs/dbraw/zinc/98/90/56/441989056.db2.gz PKLOKIIZSPVURD-CYBMUJFWSA-N 1 2 335.452 1.260 20 70 EDIDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1OC ZINC000159404835 205440728 /nfs/dbraw/zinc/44/07/28/205440728.db2.gz MQVYCGPNMHQSIF-GFCCVEGCSA-N 1 2 345.399 1.788 20 70 EDIDLO CC(C)n1nccc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159797321 206264067 /nfs/dbraw/zinc/26/40/67/206264067.db2.gz RAKWJFMWBBVNCE-ZDUSSCGKSA-N 1 2 326.466 1.856 20 70 EDIDLO CC(C)CC(=O)NCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159954472 206272283 /nfs/dbraw/zinc/27/22/83/206272283.db2.gz MIKHKUAQETVJPQ-UHFFFAOYSA-N 1 2 329.404 1.436 20 70 EDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccccc1F ZINC000159980231 206272770 /nfs/dbraw/zinc/27/27/70/206272770.db2.gz GJJKCAZQBOCERL-CYBMUJFWSA-N 1 2 326.437 1.896 20 70 EDIDLO Cn1c(=O)cccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160065711 206277819 /nfs/dbraw/zinc/27/78/19/206277819.db2.gz YLNIDYWXXXGLDL-UHFFFAOYSA-N 1 2 326.400 1.701 20 70 EDIDLO CC(C)OC(=O)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160141243 206282430 /nfs/dbraw/zinc/28/24/30/206282430.db2.gz KBJDQWITGMZHTR-UHFFFAOYSA-N 1 2 334.420 1.645 20 70 EDIDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)c[nH+]2)CCO1 ZINC000160224889 206285416 /nfs/dbraw/zinc/28/54/16/206285416.db2.gz AUEYCTORAYFDHW-RDTXWAMCSA-N 1 2 348.447 1.363 20 70 EDIDLO CC(C)OC[C@H](O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000160269478 206287432 /nfs/dbraw/zinc/28/74/32/206287432.db2.gz LHIQKDNXFLOSKW-QGZVFWFLSA-N 1 2 336.432 1.727 20 70 EDIDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160536226 206302480 /nfs/dbraw/zinc/30/24/80/206302480.db2.gz ZOARBWIYFYCOIY-OAHLLOKOSA-N 1 2 348.428 1.026 20 70 EDIDLO O=C(NCCOc1ncccc1C(F)(F)F)NCCn1cc[nH+]c1 ZINC000160927244 206320040 /nfs/dbraw/zinc/32/00/40/206320040.db2.gz HCCKVCNKMDLDBU-UHFFFAOYSA-N 1 2 343.309 1.675 20 70 EDIDLO COCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155036 206330892 /nfs/dbraw/zinc/33/08/92/206330892.db2.gz IALSGDAXFIEACK-MRXNPFEDSA-N 1 2 339.457 1.703 20 70 EDIDLO COCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155036 206330895 /nfs/dbraw/zinc/33/08/95/206330895.db2.gz IALSGDAXFIEACK-MRXNPFEDSA-N 1 2 339.457 1.703 20 70 EDIDLO C[C@@H](c1cccs1)[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161417783 206348623 /nfs/dbraw/zinc/34/86/23/206348623.db2.gz LTQKQRXZWLQIOE-VIFPVBQESA-N 1 2 333.417 1.215 20 70 EDIDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161417783 206348626 /nfs/dbraw/zinc/34/86/26/206348626.db2.gz LTQKQRXZWLQIOE-VIFPVBQESA-N 1 2 333.417 1.215 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000159702641 301019088 /nfs/dbraw/zinc/01/90/88/301019088.db2.gz VEGVJWHXAGQUAE-CABCVRRESA-N 1 2 327.384 1.404 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000159702641 301019091 /nfs/dbraw/zinc/01/90/91/301019091.db2.gz VEGVJWHXAGQUAE-CABCVRRESA-N 1 2 327.384 1.404 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)N1CCCCC1 ZINC000159485014 441816372 /nfs/dbraw/zinc/81/63/72/441816372.db2.gz VYLHLEVJGISPMO-UHFFFAOYSA-N 1 2 333.498 1.007 20 70 EDIDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000160170991 441864055 /nfs/dbraw/zinc/86/40/55/441864055.db2.gz JPVXDBSKTGQDOO-LLVKDONJSA-N 1 2 339.442 1.401 20 70 EDIDLO CCCCN(Cc1[nH+]ccn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000160741511 441915581 /nfs/dbraw/zinc/91/55/81/441915581.db2.gz XTCGXTNBHWTGMH-UHFFFAOYSA-N 1 2 348.451 1.315 20 70 EDIDLO O=C(C1CCCCC1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160753717 441917195 /nfs/dbraw/zinc/91/71/95/441917195.db2.gz NLHMGNHZUBQYKL-INIZCTEOSA-N 1 2 344.459 1.697 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1sccc1OC(F)F ZINC000160438881 441883631 /nfs/dbraw/zinc/88/36/31/441883631.db2.gz BHPJHQIAEYAOGV-SNVBAGLBSA-N 1 2 332.372 1.943 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1sccc1OC(F)F ZINC000160438881 441883636 /nfs/dbraw/zinc/88/36/36/441883636.db2.gz BHPJHQIAEYAOGV-SNVBAGLBSA-N 1 2 332.372 1.943 20 70 EDIDLO COc1ccccc1OCCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160458227 441885923 /nfs/dbraw/zinc/88/59/23/441885923.db2.gz ITSYUNPIPDZKGE-OAHLLOKOSA-N 1 2 334.416 1.444 20 70 EDIDLO COc1ccccc1OCCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160458227 441885929 /nfs/dbraw/zinc/88/59/29/441885929.db2.gz ITSYUNPIPDZKGE-OAHLLOKOSA-N 1 2 334.416 1.444 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160503018 441889760 /nfs/dbraw/zinc/88/97/60/441889760.db2.gz ZGNYAAFSWZTAGG-AWEZNQCLSA-N 1 2 343.427 1.298 20 70 EDIDLO Cc1cccc([C@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000160601275 441900279 /nfs/dbraw/zinc/90/02/79/441900279.db2.gz HRYMXAXXRHODOG-NVXWUHKLSA-N 1 2 332.448 1.957 20 70 EDIDLO C[C@@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161195842 441969302 /nfs/dbraw/zinc/96/93/02/441969302.db2.gz BBDOBMCJJHCCLV-ZDUSSCGKSA-N 1 2 335.429 1.555 20 70 EDIDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161192301 441970199 /nfs/dbraw/zinc/97/01/99/441970199.db2.gz LXXIICYQAUIASN-OLZOCXBDSA-N 1 2 327.450 1.515 20 70 EDIDLO COc1cccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000161362470 441990951 /nfs/dbraw/zinc/99/09/51/441990951.db2.gz JIFRAPMNLWCVBO-HNNXBMFYSA-N 1 2 341.415 1.953 20 70 EDIDLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161361457 441991036 /nfs/dbraw/zinc/99/10/36/441991036.db2.gz FWPTUEMURBXPET-HUUCEWRRSA-N 1 2 327.384 1.346 20 70 EDIDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161298536 441982021 /nfs/dbraw/zinc/98/20/21/441982021.db2.gz MEUVEHQYCWJSBB-NSHDSACASA-N 1 2 327.388 1.153 20 70 EDIDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161298536 441982025 /nfs/dbraw/zinc/98/20/25/441982025.db2.gz MEUVEHQYCWJSBB-NSHDSACASA-N 1 2 327.388 1.153 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCCOC1CCCCC1 ZINC000159856983 318421221 /nfs/dbraw/zinc/42/12/21/318421221.db2.gz UAWODDQGNWPZTP-UHFFFAOYSA-N 1 2 344.521 1.907 20 70 EDIDLO CC[N@H+](CCCCS(C)(=O)=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161120011 540030898 /nfs/dbraw/zinc/03/08/98/540030898.db2.gz CLKITXHMCHNJNZ-UHFFFAOYSA-N 1 2 337.445 1.570 20 70 EDIDLO CC[N@@H+](CCCCS(C)(=O)=O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161120011 540030899 /nfs/dbraw/zinc/03/08/99/540030899.db2.gz CLKITXHMCHNJNZ-UHFFFAOYSA-N 1 2 337.445 1.570 20 70 EDIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)n2)CC1 ZINC000159749483 206260256 /nfs/dbraw/zinc/26/02/56/206260256.db2.gz SNZLAGXGSYHFPF-UHFFFAOYSA-N 1 2 336.411 1.237 20 70 EDIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)n2)CC1 ZINC000159749483 206260260 /nfs/dbraw/zinc/26/02/60/206260260.db2.gz SNZLAGXGSYHFPF-UHFFFAOYSA-N 1 2 336.411 1.237 20 70 EDIDLO C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)CC(C)(CO)CO ZINC000159575867 206252705 /nfs/dbraw/zinc/25/27/05/206252705.db2.gz KEOGSUHQHPGFLL-UHFFFAOYSA-N 1 2 341.408 1.297 20 70 EDIDLO C[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)CC(C)(CO)CO ZINC000159575867 206252710 /nfs/dbraw/zinc/25/27/10/206252710.db2.gz KEOGSUHQHPGFLL-UHFFFAOYSA-N 1 2 341.408 1.297 20 70 EDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccc(F)cc1 ZINC000159872768 206268966 /nfs/dbraw/zinc/26/89/66/206268966.db2.gz KCDINTQAZFACHO-CYBMUJFWSA-N 1 2 326.437 1.896 20 70 EDIDLO CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160417997 206296450 /nfs/dbraw/zinc/29/64/50/206296450.db2.gz DBPDNRVDECEWND-IAGOWNOFSA-N 1 2 332.448 1.866 20 70 EDIDLO CCc1nnc(C[NH2+][C@@H](CO)c2cccc(Br)c2)[nH]1 ZINC000160746242 206311324 /nfs/dbraw/zinc/31/13/24/206311324.db2.gz UPVSUFCUVRHLSF-NSHDSACASA-N 1 2 325.210 1.953 20 70 EDIDLO Cn1cc[nH+]c1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000160840406 206315057 /nfs/dbraw/zinc/31/50/57/206315057.db2.gz KHRRNHJVHSHXGJ-UHFFFAOYSA-N 1 2 334.445 1.317 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160824879 206315397 /nfs/dbraw/zinc/31/53/97/206315397.db2.gz IOSYMQWNXKMSDH-ZWKOTPCHSA-N 1 2 347.459 1.880 20 70 EDIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000160922611 206318867 /nfs/dbraw/zinc/31/88/67/206318867.db2.gz GMKZBZYSRIXVIV-CYBMUJFWSA-N 1 2 342.465 1.038 20 70 EDIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)n1 ZINC000160922611 206318870 /nfs/dbraw/zinc/31/88/70/206318870.db2.gz GMKZBZYSRIXVIV-CYBMUJFWSA-N 1 2 342.465 1.038 20 70 EDIDLO Cc1nn(C)c(C)c1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160976533 206320805 /nfs/dbraw/zinc/32/08/05/206320805.db2.gz BTTSGQCBFLUOFM-UHFFFAOYSA-N 1 2 339.399 1.918 20 70 EDIDLO COCCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161020562 206323927 /nfs/dbraw/zinc/32/39/27/206323927.db2.gz CYEQLZAPWPZNHS-SFHVURJKSA-N 1 2 348.443 1.535 20 70 EDIDLO COCC(C)(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000161429450 206347791 /nfs/dbraw/zinc/34/77/91/206347791.db2.gz HWDFMCIRYKGFPZ-UHFFFAOYSA-N 1 2 347.459 1.878 20 70 EDIDLO CC(C)(C)OC(=O)N[C@H](CNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000160760511 302923817 /nfs/dbraw/zinc/92/38/17/302923817.db2.gz YLCLKTJELNNFLL-CYBMUJFWSA-N 1 2 337.424 1.486 20 70 EDIDLO O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160290806 441871017 /nfs/dbraw/zinc/87/10/17/441871017.db2.gz IHSABNJMERLCOU-JTQLQIEISA-N 1 2 326.385 1.998 20 70 EDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCCOC)CC2)s1 ZINC000159581886 441822384 /nfs/dbraw/zinc/82/23/84/441822384.db2.gz IDENIYGDQQGACL-UHFFFAOYSA-N 1 2 346.518 1.794 20 70 EDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C[C@@H]21 ZINC000159654716 441827431 /nfs/dbraw/zinc/82/74/31/441827431.db2.gz QSPCLBHPEYOGNW-HOTGVXAUSA-N 1 2 346.818 1.885 20 70 EDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(-c4ccc(Cl)cc4)n[nH]3)C[C@@H]21 ZINC000159654716 441827440 /nfs/dbraw/zinc/82/74/40/441827440.db2.gz QSPCLBHPEYOGNW-HOTGVXAUSA-N 1 2 346.818 1.885 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159702744 441831067 /nfs/dbraw/zinc/83/10/67/441831067.db2.gz VEGVJWHXAGQUAE-GJZGRUSLSA-N 1 2 327.384 1.404 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159702744 441831072 /nfs/dbraw/zinc/83/10/72/441831072.db2.gz VEGVJWHXAGQUAE-GJZGRUSLSA-N 1 2 327.384 1.404 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1c(F)cccc1F ZINC000159814313 441840400 /nfs/dbraw/zinc/84/04/00/441840400.db2.gz GCTMSUQZVPDKKU-UHFFFAOYSA-N 1 2 344.427 1.689 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000159932004 441847995 /nfs/dbraw/zinc/84/79/95/441847995.db2.gz KGURTHMVQLVERU-UHFFFAOYSA-N 1 2 343.774 1.946 20 70 EDIDLO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCOCC1 ZINC000159970948 441850646 /nfs/dbraw/zinc/85/06/46/441850646.db2.gz UFGOZJFFQOVAQB-ZDUSSCGKSA-N 1 2 348.447 1.292 20 70 EDIDLO O=C(c1ccccc1O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160530236 441892613 /nfs/dbraw/zinc/89/26/13/441892613.db2.gz AOJSKLLHUCEOPN-UHFFFAOYSA-N 1 2 336.395 1.998 20 70 EDIDLO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161184002 441968520 /nfs/dbraw/zinc/96/85/20/441968520.db2.gz YCBPIYGQAYSLSQ-XQQFMLRXSA-N 1 2 327.450 1.276 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000161053007 441951180 /nfs/dbraw/zinc/95/11/80/441951180.db2.gz GOGVHWJAXFOPOT-CYBMUJFWSA-N 1 2 344.371 1.559 20 70 EDIDLO CC[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1cnn(C)c1 ZINC000161092951 441956421 /nfs/dbraw/zinc/95/64/21/441956421.db2.gz CETWOSMYGQMEBJ-UHFFFAOYSA-N 1 2 325.416 1.879 20 70 EDIDLO CC[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1cnn(C)c1 ZINC000161092951 441956425 /nfs/dbraw/zinc/95/64/25/441956425.db2.gz CETWOSMYGQMEBJ-UHFFFAOYSA-N 1 2 325.416 1.879 20 70 EDIDLO COCCC1(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCC1 ZINC000161112607 441958700 /nfs/dbraw/zinc/95/87/00/441958700.db2.gz DKKGYSSSVHYBNL-CABCVRRESA-N 1 2 327.469 1.602 20 70 EDIDLO CC[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1cnn(C)c1 ZINC000161128503 441961230 /nfs/dbraw/zinc/96/12/30/441961230.db2.gz FVFHJAWZJJFQNQ-INIZCTEOSA-N 1 2 328.416 1.362 20 70 EDIDLO CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)Cc1cnn(C)c1 ZINC000161128503 441961233 /nfs/dbraw/zinc/96/12/33/441961233.db2.gz FVFHJAWZJJFQNQ-INIZCTEOSA-N 1 2 328.416 1.362 20 70 EDIDLO Cc1nc2cc(NC(=O)N(CCO)CC[NH+]3CCOCC3)ccc2o1 ZINC000159481695 540009880 /nfs/dbraw/zinc/00/98/80/540009880.db2.gz SIKHRCRGCUPFFE-UHFFFAOYSA-N 1 2 348.403 1.295 20 70 EDIDLO CC(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n(C)c1 ZINC000160226533 206285569 /nfs/dbraw/zinc/28/55/69/206285569.db2.gz KQGWATBROOQGHU-UHFFFAOYSA-N 1 2 335.448 1.658 20 70 EDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc(F)cc1 ZINC000161141653 206331068 /nfs/dbraw/zinc/33/10/68/206331068.db2.gz LMRJYVZTJFXCMX-UHFFFAOYSA-N 1 2 328.391 1.977 20 70 EDIDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161231720 206335533 /nfs/dbraw/zinc/33/55/33/206335533.db2.gz FAYVCUAMSQVTDE-AWEZNQCLSA-N 1 2 347.463 1.212 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC(c2ccccc2)=NO1 ZINC000161345213 206343327 /nfs/dbraw/zinc/34/33/27/206343327.db2.gz MOCWAXMKCBVXFI-NVXWUHKLSA-N 1 2 336.395 1.970 20 70 EDIDLO CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160136817 441861578 /nfs/dbraw/zinc/86/15/78/441861578.db2.gz ZTOUKJKGAGPNNN-OAHLLOKOSA-N 1 2 326.400 1.220 20 70 EDIDLO C[C@@H](CCO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000159619561 441824746 /nfs/dbraw/zinc/82/47/46/441824746.db2.gz WFFRQKRDCVOUJB-STQMWFEESA-N 1 2 341.402 1.999 20 70 EDIDLO C[C@@H](CCO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000159619561 441824752 /nfs/dbraw/zinc/82/47/52/441824752.db2.gz WFFRQKRDCVOUJB-STQMWFEESA-N 1 2 341.402 1.999 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 ZINC000161218951 441973759 /nfs/dbraw/zinc/97/37/59/441973759.db2.gz XOFXRUCWXVCRJK-GFCCVEGCSA-N 1 2 327.450 1.826 20 70 EDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1ccccc1F ZINC000161233227 441976102 /nfs/dbraw/zinc/97/61/02/441976102.db2.gz LCVJZVYLDBBKJW-UHFFFAOYSA-N 1 2 342.418 1.655 20 70 EDIDLO CCCn1c(C)nnc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000161012598 441946389 /nfs/dbraw/zinc/94/63/89/441946389.db2.gz DTJPGWOOZPZEHO-HNNXBMFYSA-N 1 2 348.495 1.125 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1F ZINC000161175199 441967726 /nfs/dbraw/zinc/96/77/26/441967726.db2.gz AMFODLWOQCKFHS-UHFFFAOYSA-N 1 2 345.783 1.766 20 70 EDIDLO CC(=O)Nc1cccc(OCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161419855 441998149 /nfs/dbraw/zinc/99/81/49/441998149.db2.gz MHNNVPWLDUBEKJ-CQSZACIVSA-N 1 2 342.399 1.599 20 70 EDIDLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000160543074 206303138 /nfs/dbraw/zinc/30/31/38/206303138.db2.gz CWOVAWPYUCYOGG-INIZCTEOSA-N 1 2 344.415 1.890 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160602111 206306637 /nfs/dbraw/zinc/30/66/37/206306637.db2.gz VRXCQGSYDOWRJT-NSHDSACASA-N 1 2 347.337 1.473 20 70 EDIDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)S1 ZINC000160959058 206321026 /nfs/dbraw/zinc/32/10/26/206321026.db2.gz OINUZEKIMMGCMP-BBRMVZONSA-N 1 2 345.468 1.936 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160602235 206306476 /nfs/dbraw/zinc/30/64/76/206306476.db2.gz VRXCQGSYDOWRJT-LLVKDONJSA-N 1 2 347.337 1.473 20 70 EDIDLO O=C(Nc1cccc(N2CCOCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160198552 441865484 /nfs/dbraw/zinc/86/54/84/441865484.db2.gz KGENUKJBPCVIQT-AWEZNQCLSA-N 1 2 326.400 1.921 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2)cs1 ZINC000159704962 441829817 /nfs/dbraw/zinc/82/98/17/441829817.db2.gz RHMSCZWCDBIDKO-LSDHHAIUSA-N 1 2 332.429 1.602 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2)cs1 ZINC000159704962 441829822 /nfs/dbraw/zinc/82/98/22/441829822.db2.gz RHMSCZWCDBIDKO-LSDHHAIUSA-N 1 2 332.429 1.602 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000159831763 441841097 /nfs/dbraw/zinc/84/10/97/441841097.db2.gz XYXKCDVKIZPBMX-OAHLLOKOSA-N 1 2 336.457 1.692 20 70 EDIDLO Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000160600944 441901082 /nfs/dbraw/zinc/90/10/82/441901082.db2.gz HRYMXAXXRHODOG-RDJZCZTQSA-N 1 2 332.448 1.957 20 70 EDIDLO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160397467 441877661 /nfs/dbraw/zinc/87/76/61/441877661.db2.gz FJHAPDGMFSTZGV-BBRMVZONSA-N 1 2 346.431 1.176 20 70 EDIDLO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160397467 441877664 /nfs/dbraw/zinc/87/76/64/441877664.db2.gz FJHAPDGMFSTZGV-BBRMVZONSA-N 1 2 346.431 1.176 20 70 EDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(C)c1 ZINC000160598306 441899477 /nfs/dbraw/zinc/89/94/77/441899477.db2.gz MRSVVGJTBRKDQA-CQSZACIVSA-N 1 2 342.436 1.259 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(C)c1 ZINC000160598306 441899481 /nfs/dbraw/zinc/89/94/81/441899481.db2.gz MRSVVGJTBRKDQA-CQSZACIVSA-N 1 2 342.436 1.259 20 70 EDIDLO Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ncn1 ZINC000161311249 441983837 /nfs/dbraw/zinc/98/38/37/441983837.db2.gz XXJQMOGLTOWFLY-QGZVFWFLSA-N 1 2 326.400 1.588 20 70 EDIDLO O=C([C@H]1CCNC(=O)C1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161313333 441985290 /nfs/dbraw/zinc/98/52/90/441985290.db2.gz IPOIBDXSKWBWNU-ZDUSSCGKSA-N 1 2 335.835 1.510 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159807808 533616367 /nfs/dbraw/zinc/61/63/67/533616367.db2.gz NUSRZOXAKUQPAU-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159807808 533616373 /nfs/dbraw/zinc/61/63/73/533616373.db2.gz NUSRZOXAKUQPAU-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO O=C(C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)N1CC[C@@H](O)C1 ZINC000159518808 225232787 /nfs/dbraw/zinc/23/27/87/225232787.db2.gz JDOVZYCJPKXODT-OAHLLOKOSA-N 1 2 341.411 1.750 20 70 EDIDLO COCCCS(=O)(=O)N1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000160030450 225322530 /nfs/dbraw/zinc/32/25/30/225322530.db2.gz SGOGBJDILHFHGG-UHFFFAOYSA-N 1 2 340.489 1.521 20 70 EDIDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161394329 302926409 /nfs/dbraw/zinc/92/64/09/302926409.db2.gz IERMPMJMFVQEQJ-LLVKDONJSA-N 1 2 339.358 1.246 20 70 EDIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC[C@@H]1CCCO1 ZINC000159432584 441812713 /nfs/dbraw/zinc/81/27/13/441812713.db2.gz KCROKIUHTIXOPF-LPHOPBHVSA-N 1 2 330.428 1.456 20 70 EDIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC[C@@H]1CCCO1 ZINC000159432584 441812717 /nfs/dbraw/zinc/81/27/17/441812717.db2.gz KCROKIUHTIXOPF-LPHOPBHVSA-N 1 2 330.428 1.456 20 70 EDIDLO CC(=O)c1ccc(OCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160379852 441875525 /nfs/dbraw/zinc/87/55/25/441875525.db2.gz SUSALYMZPTUAJN-SFHVURJKSA-N 1 2 346.427 1.638 20 70 EDIDLO CC(=O)c1ccc(OCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160379852 441875526 /nfs/dbraw/zinc/87/55/26/441875526.db2.gz SUSALYMZPTUAJN-SFHVURJKSA-N 1 2 346.427 1.638 20 70 EDIDLO CC1CCC(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000161189091 441969714 /nfs/dbraw/zinc/96/97/14/441969714.db2.gz OJNBGGYINCOEOX-UHFFFAOYSA-N 1 2 330.476 1.894 20 70 EDIDLO CCCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161050981 441950896 /nfs/dbraw/zinc/95/08/96/441950896.db2.gz XNMWIEDHDNHTKM-GJZGRUSLSA-N 1 2 332.448 1.600 20 70 EDIDLO CCc1ccc([C@H](C)NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161175067 441966750 /nfs/dbraw/zinc/96/67/50/441966750.db2.gz QMLFHEWYFIDISR-ZDUSSCGKSA-N 1 2 349.456 1.775 20 70 EDIDLO C[NH+](C)[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000161290344 441981040 /nfs/dbraw/zinc/98/10/40/441981040.db2.gz HRXJSBJWHQBEJA-AWEZNQCLSA-N 1 2 344.452 1.758 20 70 EDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCN1c1nccs1 ZINC000161307366 441983079 /nfs/dbraw/zinc/98/30/79/441983079.db2.gz NOKJETRMSMOTKY-KBPBESRZSA-N 1 2 343.456 1.902 20 70 EDIDLO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000161456969 442001889 /nfs/dbraw/zinc/00/18/89/442001889.db2.gz WDKRHUPMJOYCTA-OLZOCXBDSA-N 1 2 337.851 1.722 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000161340572 441987596 /nfs/dbraw/zinc/98/75/96/441987596.db2.gz FXLIPLNLCFKMBF-CABCVRRESA-N 1 2 328.416 1.178 20 70 EDIDLO C[C@@H](CNS(=O)(=O)Cc1cccc(F)c1)C[NH+]1CCOCC1 ZINC000160363294 534070680 /nfs/dbraw/zinc/07/06/80/534070680.db2.gz BUTLEYYCQKFXPB-ZDUSSCGKSA-N 1 2 330.425 1.213 20 70 EDIDLO COCC[NH+]1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 ZINC000160329061 532969469 /nfs/dbraw/zinc/96/94/69/532969469.db2.gz QKEDLHSMIWYZJV-UHFFFAOYSA-N 1 2 334.388 1.059 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000159931878 225305081 /nfs/dbraw/zinc/30/50/81/225305081.db2.gz JQLJBAIEQMJMEJ-UHFFFAOYSA-N 1 2 339.399 1.640 20 70 EDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1F ZINC000160378316 225399449 /nfs/dbraw/zinc/39/94/49/225399449.db2.gz AJTSTDIWHXJMCN-VIFPVBQESA-N 1 2 332.297 1.836 20 70 EDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1F ZINC000160378316 225399452 /nfs/dbraw/zinc/39/94/52/225399452.db2.gz AJTSTDIWHXJMCN-VIFPVBQESA-N 1 2 332.297 1.836 20 70 EDIDLO CS[C@@H](C)CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160016180 302919643 /nfs/dbraw/zinc/91/96/43/302919643.db2.gz MCESVGBYQNKURM-LBPRGKRZSA-N 1 2 344.502 1.503 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000159992880 302919810 /nfs/dbraw/zinc/91/98/10/302919810.db2.gz RMGJPOOZDPLIQX-UHFFFAOYSA-N 1 2 327.344 1.448 20 70 EDIDLO CNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160382040 441874973 /nfs/dbraw/zinc/87/49/73/441874973.db2.gz ZUJNZDJLYQZAPP-HNNXBMFYSA-N 1 2 339.399 1.842 20 70 EDIDLO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000159783788 441837699 /nfs/dbraw/zinc/83/76/99/441837699.db2.gz JVENJDWXZHLCMW-DNVCBOLYSA-N 1 2 329.444 1.726 20 70 EDIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)n1 ZINC000159788394 441838387 /nfs/dbraw/zinc/83/83/87/441838387.db2.gz WBUBZDQZUQJNJN-INIZCTEOSA-N 1 2 330.432 1.266 20 70 EDIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)n1 ZINC000159788394 441838389 /nfs/dbraw/zinc/83/83/89/441838389.db2.gz WBUBZDQZUQJNJN-INIZCTEOSA-N 1 2 330.432 1.266 20 70 EDIDLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160646697 441905425 /nfs/dbraw/zinc/90/54/25/441905425.db2.gz SXQZKSBIDMNMJQ-DOTOQJQBSA-N 1 2 348.447 1.103 20 70 EDIDLO CCOc1ccccc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160804517 441922970 /nfs/dbraw/zinc/92/29/70/441922970.db2.gz WZXKSFPXKMPNFU-UHFFFAOYSA-N 1 2 328.416 1.777 20 70 EDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000160811207 441924069 /nfs/dbraw/zinc/92/40/69/441924069.db2.gz JGNMJKIPOOEHEN-UHFFFAOYSA-N 1 2 337.427 1.788 20 70 EDIDLO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160397199 441877765 /nfs/dbraw/zinc/87/77/65/441877765.db2.gz FJHAPDGMFSTZGV-XJKSGUPXSA-N 1 2 346.431 1.176 20 70 EDIDLO C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160397199 441877768 /nfs/dbraw/zinc/87/77/68/441877768.db2.gz FJHAPDGMFSTZGV-XJKSGUPXSA-N 1 2 346.431 1.176 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000160400543 441877827 /nfs/dbraw/zinc/87/78/27/441877827.db2.gz LOPXMXFCZFGAHS-NSHDSACASA-N 1 2 334.388 1.211 20 70 EDIDLO Cc1ccc(CNC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1F ZINC000161199188 441971565 /nfs/dbraw/zinc/97/15/65/441971565.db2.gz CGAQGRUMKSBDOV-UHFFFAOYSA-N 1 2 339.392 1.099 20 70 EDIDLO COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000161201819 441971629 /nfs/dbraw/zinc/97/16/29/441971629.db2.gz STFBIBCMMBFASV-ZDUSSCGKSA-N 1 2 326.356 1.272 20 70 EDIDLO CCn1cc[nH+]c1CN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000160858851 441928628 /nfs/dbraw/zinc/92/86/28/441928628.db2.gz KPVREMIWRZQOAB-UHFFFAOYSA-N 1 2 330.407 1.929 20 70 EDIDLO CC(C)(CO)[C@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000160974483 441942695 /nfs/dbraw/zinc/94/26/95/441942695.db2.gz KSOQRXDDJUCSQX-QGZVFWFLSA-N 1 2 349.475 1.420 20 70 EDIDLO Cc1ccc(NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1Cl ZINC000161176365 441967471 /nfs/dbraw/zinc/96/74/71/441967471.db2.gz TXMWQVQMQPHIHE-UHFFFAOYSA-N 1 2 341.820 1.935 20 70 EDIDLO O=C(CN1CCCC1=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161285704 441980737 /nfs/dbraw/zinc/98/07/37/441980737.db2.gz DBRHNGVZOXJXSH-UHFFFAOYSA-N 1 2 335.835 1.607 20 70 EDIDLO CC[N@H+](CCc1nccs1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000159360956 528608364 /nfs/dbraw/zinc/60/83/64/528608364.db2.gz UNZIQZDPPRCMBB-UHFFFAOYSA-N 1 2 344.440 1.993 20 70 EDIDLO CC[N@@H+](CCc1nccs1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000159360956 528608372 /nfs/dbraw/zinc/60/83/72/528608372.db2.gz UNZIQZDPPRCMBB-UHFFFAOYSA-N 1 2 344.440 1.993 20 70 EDIDLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159464058 225223733 /nfs/dbraw/zinc/22/37/33/225223733.db2.gz NWMDSLIOAJJKAT-KRWDZBQOSA-N 1 2 338.473 1.490 20 70 EDIDLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159464058 225223738 /nfs/dbraw/zinc/22/37/38/225223738.db2.gz NWMDSLIOAJJKAT-KRWDZBQOSA-N 1 2 338.473 1.490 20 70 EDIDLO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160370393 225397931 /nfs/dbraw/zinc/39/79/31/225397931.db2.gz XTHFVKJTUHUAQF-GFCCVEGCSA-N 1 2 346.880 1.895 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000159713876 441831744 /nfs/dbraw/zinc/83/17/44/441831744.db2.gz XCSISSWRYOZGPX-CVEARBPZSA-N 1 2 346.431 1.372 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000159713876 441831750 /nfs/dbraw/zinc/83/17/50/441831750.db2.gz XCSISSWRYOZGPX-CVEARBPZSA-N 1 2 346.431 1.372 20 70 EDIDLO CC(C)(C)S(=O)(=O)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159717509 441832107 /nfs/dbraw/zinc/83/21/07/441832107.db2.gz NHHZJHHHRBAXII-UHFFFAOYSA-N 1 2 327.450 1.091 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160777773 441920585 /nfs/dbraw/zinc/92/05/85/441920585.db2.gz ACKIKRWDCMGEDB-JTQLQIEISA-N 1 2 335.330 1.288 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000160453820 441884064 /nfs/dbraw/zinc/88/40/64/441884064.db2.gz GROJYPDDFUJFFX-WBVHZDCISA-N 1 2 347.390 1.298 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000160453820 441884069 /nfs/dbraw/zinc/88/40/69/441884069.db2.gz GROJYPDDFUJFFX-WBVHZDCISA-N 1 2 347.390 1.298 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000161053790 441951082 /nfs/dbraw/zinc/95/10/82/441951082.db2.gz MRCJTCMTUORRPA-BXUZGUMPSA-N 1 2 345.403 1.790 20 70 EDIDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@H]1CC[C@H](O)CC1 ZINC000161112569 441959188 /nfs/dbraw/zinc/95/91/88/441959188.db2.gz HEARCEYAGBKUEG-IYBDPMFKSA-N 1 2 333.432 1.944 20 70 EDIDLO C[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)[NH+]1CCN(C)CC1 ZINC000160155981 533906284 /nfs/dbraw/zinc/90/62/84/533906284.db2.gz UXCIQPHBEVORBY-ZDUSSCGKSA-N 1 2 348.472 1.698 20 70 EDIDLO CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000160276705 526489402 /nfs/dbraw/zinc/48/94/02/526489402.db2.gz KSRLZBMLBRSBOR-KBPBESRZSA-N 1 2 348.447 1.961 20 70 EDIDLO CC(C)(C)c1cc(NC(=O)CSCC[NH+]2CCOCC2)on1 ZINC000160000726 526757920 /nfs/dbraw/zinc/75/79/20/526757920.db2.gz KVVJKBHTLVRDTQ-UHFFFAOYSA-N 1 2 327.450 1.976 20 70 EDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)[C@H](C)COC)CC2)s1 ZINC000159585949 529641188 /nfs/dbraw/zinc/64/11/88/529641188.db2.gz WZZKLYYVYJQBJP-CYBMUJFWSA-N 1 2 346.518 1.793 20 70 EDIDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161204815 295758199 /nfs/dbraw/zinc/75/81/99/295758199.db2.gz SWPIEGIGTSGKME-STQMWFEESA-N 1 2 347.440 1.701 20 70 EDIDLO O=C(Nc1cccc2[nH]ccc21)N(CCO)CC[NH+]1CCOCC1 ZINC000159402662 540009234 /nfs/dbraw/zinc/00/92/34/540009234.db2.gz ADXAIELQKFDEPJ-UHFFFAOYSA-N 1 2 332.404 1.326 20 70 EDIDLO CCOc1ccc2cc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)[nH]c2c1 ZINC000159686605 540011989 /nfs/dbraw/zinc/01/19/89/540011989.db2.gz DYBBKSKHKSKDEQ-IRXDYDNUSA-N 1 2 329.400 1.722 20 70 EDIDLO CCOc1ccc2cc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)[nH]c2c1 ZINC000159686605 540011991 /nfs/dbraw/zinc/01/19/91/540011991.db2.gz DYBBKSKHKSKDEQ-IRXDYDNUSA-N 1 2 329.400 1.722 20 70 EDIDLO COCc1ccc(CNC(=O)C[N@H+](C)C2(C(=O)OC)CCCC2)cc1 ZINC000159481868 533246342 /nfs/dbraw/zinc/24/63/42/533246342.db2.gz MJHBYACDISTMMJ-UHFFFAOYSA-N 1 2 348.443 1.867 20 70 EDIDLO COCc1ccc(CNC(=O)C[N@@H+](C)C2(C(=O)OC)CCCC2)cc1 ZINC000159481868 533246349 /nfs/dbraw/zinc/24/63/49/533246349.db2.gz MJHBYACDISTMMJ-UHFFFAOYSA-N 1 2 348.443 1.867 20 70 EDIDLO COCc1cccc(CNC(=O)C[N@H+](C)C2(C(=O)OC)CCCC2)c1 ZINC000159418440 225213194 /nfs/dbraw/zinc/21/31/94/225213194.db2.gz IMHNOHHNAOSVGV-UHFFFAOYSA-N 1 2 348.443 1.867 20 70 EDIDLO COCc1cccc(CNC(=O)C[N@@H+](C)C2(C(=O)OC)CCCC2)c1 ZINC000159418440 225213197 /nfs/dbraw/zinc/21/31/97/225213197.db2.gz IMHNOHHNAOSVGV-UHFFFAOYSA-N 1 2 348.443 1.867 20 70 EDIDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+](C)CC(C)(CO)CO ZINC000159594186 225244667 /nfs/dbraw/zinc/24/46/67/225244667.db2.gz ZRVHWSRPPSQEPX-LBPRGKRZSA-N 1 2 346.435 1.181 20 70 EDIDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+](C)CC(C)(CO)CO ZINC000159594186 225244671 /nfs/dbraw/zinc/24/46/71/225244671.db2.gz ZRVHWSRPPSQEPX-LBPRGKRZSA-N 1 2 346.435 1.181 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000161197535 302989626 /nfs/dbraw/zinc/98/96/26/302989626.db2.gz JDTPMMSLBJKPJZ-KBPBESRZSA-N 1 2 339.461 1.516 20 70 EDIDLO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000159783923 441838717 /nfs/dbraw/zinc/83/87/17/441838717.db2.gz JVENJDWXZHLCMW-KXBFYZLASA-N 1 2 329.444 1.726 20 70 EDIDLO CN(CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OC(C)(C)C ZINC000159809608 441839972 /nfs/dbraw/zinc/83/99/72/441839972.db2.gz FPMOFUMZYPNYIN-ZDUSSCGKSA-N 1 2 336.436 1.819 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@H]3CCCO3)nc(N)c21 ZINC000160619786 441902113 /nfs/dbraw/zinc/90/21/13/441902113.db2.gz YADAEPFBCGKAJJ-LLVKDONJSA-N 1 2 348.403 1.901 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)C[C@H]3CCCO3)nc(N)c21 ZINC000160619786 441902118 /nfs/dbraw/zinc/90/21/18/441902118.db2.gz YADAEPFBCGKAJJ-LLVKDONJSA-N 1 2 348.403 1.901 20 70 EDIDLO CC[C@H](O)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000160842844 441927239 /nfs/dbraw/zinc/92/72/39/441927239.db2.gz ADUMTBKYVYQDBQ-XJKSGUPXSA-N 1 2 346.431 1.978 20 70 EDIDLO Cc1nn(C)c(C)c1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160479405 441887134 /nfs/dbraw/zinc/88/71/34/441887134.db2.gz PNMCEDFNJVCESF-UHFFFAOYSA-N 1 2 342.447 1.459 20 70 EDIDLO CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160592270 441899837 /nfs/dbraw/zinc/89/98/37/441899837.db2.gz WAVTXERQXJUKMU-FUHWJXTLSA-N 1 2 346.475 1.970 20 70 EDIDLO CCC[N@H+](Cc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000161071780 441951988 /nfs/dbraw/zinc/95/19/88/441951988.db2.gz SCNFCNNOXZPSBD-CQSZACIVSA-N 1 2 325.430 1.872 20 70 EDIDLO CCC[N@@H+](Cc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000161071780 441951993 /nfs/dbraw/zinc/95/19/93/441951993.db2.gz SCNFCNNOXZPSBD-CQSZACIVSA-N 1 2 325.430 1.872 20 70 EDIDLO O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1CCn2cc[nH+]c2C1 ZINC000161267569 441979240 /nfs/dbraw/zinc/97/92/40/441979240.db2.gz LQTJELWIIWDTKK-AWEZNQCLSA-N 1 2 327.384 1.923 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000159897919 318421473 /nfs/dbraw/zinc/42/14/73/318421473.db2.gz PIZIBEHVFAHXKD-HNNXBMFYSA-N 1 2 336.457 1.172 20 70 EDIDLO CC(=O)N(c1nc(C[N@@H+](C)CC(C)(CO)CO)cs1)C1CC1 ZINC000159576219 526505481 /nfs/dbraw/zinc/50/54/81/526505481.db2.gz HEFUURBLDLQXOH-UHFFFAOYSA-N 1 2 327.450 1.081 20 70 EDIDLO CC(=O)N(c1nc(C[N@H+](C)CC(C)(CO)CO)cs1)C1CC1 ZINC000159576219 526505490 /nfs/dbraw/zinc/50/54/90/526505490.db2.gz HEFUURBLDLQXOH-UHFFFAOYSA-N 1 2 327.450 1.081 20 70 EDIDLO Cc1cccn2cc(CCNC(=O)c3ccc4[nH]c(=O)n(C)c4c3)[nH+]c12 ZINC000159882738 540016132 /nfs/dbraw/zinc/01/61/32/540016132.db2.gz CDXVDLYICFKKPV-UHFFFAOYSA-N 1 2 349.394 1.795 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000160000459 225316529 /nfs/dbraw/zinc/31/65/29/225316529.db2.gz VXPZZTFZKBBDBF-LZWOXQAQSA-N 1 2 348.447 1.186 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000160000459 225316535 /nfs/dbraw/zinc/31/65/35/225316535.db2.gz VXPZZTFZKBBDBF-LZWOXQAQSA-N 1 2 348.447 1.186 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCOc1ccc(F)cc1 ZINC000159813919 302918901 /nfs/dbraw/zinc/91/89/01/302918901.db2.gz STVNPUCKARMFLB-UHFFFAOYSA-N 1 2 342.436 1.386 20 70 EDIDLO C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1 ZINC000159699615 441830820 /nfs/dbraw/zinc/83/08/20/441830820.db2.gz RJYIMDOIEVQEEV-LSDHHAIUSA-N 1 2 339.461 1.166 20 70 EDIDLO Cc1noc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000159932980 441847357 /nfs/dbraw/zinc/84/73/57/441847357.db2.gz IHBMHODNPGPBBG-UHFFFAOYSA-N 1 2 342.359 1.975 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000160025883 441855722 /nfs/dbraw/zinc/85/57/22/441855722.db2.gz OPTDPKRRSRJWQK-GJZGRUSLSA-N 1 2 328.478 1.222 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000160793936 441921997 /nfs/dbraw/zinc/92/19/97/441921997.db2.gz HNOXSSWRGVEZAV-QGZVFWFLSA-N 1 2 335.448 1.479 20 70 EDIDLO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160388410 441876903 /nfs/dbraw/zinc/87/69/03/441876903.db2.gz BTWNKORNXXMTGU-OAHLLOKOSA-N 1 2 339.399 1.842 20 70 EDIDLO CC(C)[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161205469 441972411 /nfs/dbraw/zinc/97/24/11/441972411.db2.gz MAZJJBRSEMTNQY-QGZVFWFLSA-N 1 2 349.456 1.848 20 70 EDIDLO CC[C@H](O)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000160845480 441927374 /nfs/dbraw/zinc/92/73/74/441927374.db2.gz DAAIYKJWNAAQQG-HOCLYGCPSA-N 1 2 346.431 1.978 20 70 EDIDLO CC[C@@H](O)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000160842719 441927965 /nfs/dbraw/zinc/92/79/65/441927965.db2.gz ADUMTBKYVYQDBQ-CJNGLKHVSA-N 1 2 346.431 1.978 20 70 EDIDLO Cc1nc([C@@H](NC(=O)NCCn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160873367 441930061 /nfs/dbraw/zinc/93/00/61/441930061.db2.gz VMTKUFWWIMSQOR-AWEZNQCLSA-N 1 2 344.350 1.802 20 70 EDIDLO C[C@H](Oc1cccc(CO)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160978094 441942185 /nfs/dbraw/zinc/94/21/85/441942185.db2.gz WVDDKTJLFBYCEJ-AWEZNQCLSA-N 1 2 336.432 1.173 20 70 EDIDLO CCc1cccc(NC(=O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161061901 441952427 /nfs/dbraw/zinc/95/24/27/441952427.db2.gz YVUMBRMCVNBHCY-AWEZNQCLSA-N 1 2 326.400 1.763 20 70 EDIDLO CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cnn(C)c1 ZINC000161075727 441954175 /nfs/dbraw/zinc/95/41/75/441954175.db2.gz RVYKVDSOFRSQEG-UHFFFAOYSA-N 1 2 327.388 1.227 20 70 EDIDLO CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cnn(C)c1 ZINC000161075727 441954181 /nfs/dbraw/zinc/95/41/81/441954181.db2.gz RVYKVDSOFRSQEG-UHFFFAOYSA-N 1 2 327.388 1.227 20 70 EDIDLO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1 ZINC000161287192 441981342 /nfs/dbraw/zinc/98/13/42/441981342.db2.gz RGCMEUWGSBXZTE-ZBFHGGJFSA-N 1 2 335.452 1.207 20 70 EDIDLO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)C1 ZINC000161287192 441981346 /nfs/dbraw/zinc/98/13/46/441981346.db2.gz RGCMEUWGSBXZTE-ZBFHGGJFSA-N 1 2 335.452 1.207 20 70 EDIDLO CC[C@H](C)NC(=O)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159450777 529704348 /nfs/dbraw/zinc/70/43/48/529704348.db2.gz QKPYAWXVXGOSJI-HNNXBMFYSA-N 1 2 347.463 1.214 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(F)c1 ZINC000159470133 529846525 /nfs/dbraw/zinc/84/65/25/529846525.db2.gz SEXFQVSJHLSYJJ-UHFFFAOYSA-N 1 2 344.452 1.805 20 70 EDIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cncnc1 ZINC000160210728 540021608 /nfs/dbraw/zinc/02/16/08/540021608.db2.gz YCUIQXGMWDRKCL-UHFFFAOYSA-N 1 2 327.388 1.896 20 70 EDIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cncnc1 ZINC000160210728 540021612 /nfs/dbraw/zinc/02/16/12/540021612.db2.gz YCUIQXGMWDRKCL-UHFFFAOYSA-N 1 2 327.388 1.896 20 70 EDIDLO COCC[C@H](C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159716064 225263886 /nfs/dbraw/zinc/26/38/86/225263886.db2.gz TYXWYQKJEIUQED-HNNXBMFYSA-N 1 2 348.447 1.052 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1F ZINC000160370905 225398085 /nfs/dbraw/zinc/39/80/85/225398085.db2.gz VQTAGJIGYJVDLO-GFCCVEGCSA-N 1 2 330.425 1.381 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(-c2nc[nH]n2)c1 ZINC000160136209 225345387 /nfs/dbraw/zinc/34/53/87/225345387.db2.gz OHTRGVQTBYCNMQ-OAHLLOKOSA-N 1 2 334.383 1.875 20 70 EDIDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161180276 225567399 /nfs/dbraw/zinc/56/73/99/225567399.db2.gz RJIDORHPPRDWIY-SECBINFHSA-N 1 2 343.355 1.640 20 70 EDIDLO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000159949259 302919368 /nfs/dbraw/zinc/91/93/68/302919368.db2.gz OCMUEHIPWUYLGC-HUUCEWRRSA-N 1 2 328.372 1.495 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCC(c2ccccc2)=N1 ZINC000159969624 302919599 /nfs/dbraw/zinc/91/95/99/302919599.db2.gz PARROAFCXXMNPU-UHFFFAOYSA-N 1 2 333.457 1.688 20 70 EDIDLO CO[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159779334 441837067 /nfs/dbraw/zinc/83/70/67/441837067.db2.gz UKXPMHIQCAFZNN-LSDHHAIUSA-N 1 2 342.399 1.709 20 70 EDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1sccc1OC(F)F ZINC000160439013 441882805 /nfs/dbraw/zinc/88/28/05/441882805.db2.gz BHPJHQIAEYAOGV-JTQLQIEISA-N 1 2 332.372 1.943 20 70 EDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1sccc1OC(F)F ZINC000160439013 441882807 /nfs/dbraw/zinc/88/28/07/441882807.db2.gz BHPJHQIAEYAOGV-JTQLQIEISA-N 1 2 332.372 1.943 20 70 EDIDLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160449216 441884338 /nfs/dbraw/zinc/88/43/38/441884338.db2.gz AFBLEUBWQGALAS-ARFHVFGLSA-N 1 2 346.475 1.989 20 70 EDIDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160592644 441899319 /nfs/dbraw/zinc/89/93/19/441899319.db2.gz WAVTXERQXJUKMU-AEFFLSMTSA-N 1 2 346.475 1.970 20 70 EDIDLO C[C@@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161228476 441974524 /nfs/dbraw/zinc/97/45/24/441974524.db2.gz VEIVOPVRCBZPQB-HNNXBMFYSA-N 1 2 344.484 1.966 20 70 EDIDLO CCOCCC1(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CCC1 ZINC000160844124 441927486 /nfs/dbraw/zinc/92/74/86/441927486.db2.gz ATLZPXZQXFXNBK-UHFFFAOYSA-N 1 2 339.480 1.206 20 70 EDIDLO CCOCCC1(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CCC1 ZINC000160844124 441927488 /nfs/dbraw/zinc/92/74/88/441927488.db2.gz ATLZPXZQXFXNBK-UHFFFAOYSA-N 1 2 339.480 1.206 20 70 EDIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000160963346 441941931 /nfs/dbraw/zinc/94/19/31/441941931.db2.gz PJYRTIDKJUJLPP-QGZVFWFLSA-N 1 2 346.427 1.671 20 70 EDIDLO COCCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161020689 441947886 /nfs/dbraw/zinc/94/78/86/441947886.db2.gz CYEQLZAPWPZNHS-GOSISDBHSA-N 1 2 348.443 1.535 20 70 EDIDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000160476228 540023608 /nfs/dbraw/zinc/02/36/08/540023608.db2.gz ZYSSQNABIBLAHS-UHFFFAOYSA-N 1 2 349.406 1.860 20 70 EDIDLO Cc1cc(NC(=O)CC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000159411104 225211863 /nfs/dbraw/zinc/21/18/63/225211863.db2.gz BRANHGPPSCWMQK-KGLIPLIRSA-N 1 2 349.387 1.729 20 70 EDIDLO Cc1cc(NC(=O)CC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000159411104 225211867 /nfs/dbraw/zinc/21/18/67/225211867.db2.gz BRANHGPPSCWMQK-KGLIPLIRSA-N 1 2 349.387 1.729 20 70 EDIDLO C[C@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)[NH+]1CCOCC1 ZINC000160230983 225367571 /nfs/dbraw/zinc/36/75/71/225367571.db2.gz OBPQFZRORMAERO-HIFRSBDPSA-N 1 2 339.461 1.552 20 70 EDIDLO NC(=O)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000160433174 272929667 /nfs/dbraw/zinc/92/96/67/272929667.db2.gz QSQZFZMOLDXOBL-KGLIPLIRSA-N 1 2 344.390 1.045 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1cc(F)cc(F)c1)C[NH+]1CCOCC1 ZINC000160387248 441877020 /nfs/dbraw/zinc/87/70/20/441877020.db2.gz NQKWOOIYBJRNHG-NSHDSACASA-N 1 2 334.388 1.211 20 70 EDIDLO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160397330 441878303 /nfs/dbraw/zinc/87/83/03/441878303.db2.gz FJHAPDGMFSTZGV-CZUORRHYSA-N 1 2 346.431 1.176 20 70 EDIDLO C[C@@H](NC(=O)Nc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160397330 441878307 /nfs/dbraw/zinc/87/83/07/441878307.db2.gz FJHAPDGMFSTZGV-CZUORRHYSA-N 1 2 346.431 1.176 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000161196217 441969106 /nfs/dbraw/zinc/96/91/06/441969106.db2.gz YDCXLBAEDMYDHR-UHFFFAOYSA-N 1 2 342.804 1.960 20 70 EDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160882602 441930486 /nfs/dbraw/zinc/93/04/86/441930486.db2.gz SYNOGCRUAZMOHT-NSHDSACASA-N 1 2 348.373 1.203 20 70 EDIDLO CCc1nn(C)c(CC)c1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161041373 441950274 /nfs/dbraw/zinc/95/02/74/441950274.db2.gz PRQNCUZTOAHHBY-QGZVFWFLSA-N 1 2 334.464 1.368 20 70 EDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc(Cl)cn1 ZINC000161164379 441965300 /nfs/dbraw/zinc/96/53/00/441965300.db2.gz GQAUFJUNQZEDQN-UHFFFAOYSA-N 1 2 345.834 1.886 20 70 EDIDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000161436074 441999419 /nfs/dbraw/zinc/99/94/19/441999419.db2.gz JCARSZQJEHKDPU-UHFFFAOYSA-N 1 2 332.367 1.888 20 70 EDIDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000160405167 533706751 /nfs/dbraw/zinc/70/67/51/533706751.db2.gz BHDYRSPCSXAHPF-AWEZNQCLSA-N 1 2 326.462 1.550 20 70 EDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000160275736 528087719 /nfs/dbraw/zinc/08/77/19/528087719.db2.gz QHWYLZGZJQJESQ-ZDUSSCGKSA-N 1 2 336.436 1.472 20 70 EDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000160275736 528087720 /nfs/dbraw/zinc/08/77/20/528087720.db2.gz QHWYLZGZJQJESQ-ZDUSSCGKSA-N 1 2 336.436 1.472 20 70 EDIDLO Cc1cccn2cc(CCNC(=O)NCC3(CO)CCOCC3)[nH+]c12 ZINC000159373283 540009077 /nfs/dbraw/zinc/00/90/77/540009077.db2.gz SFNCKEUQXRMNBC-UHFFFAOYSA-N 1 2 346.431 1.274 20 70 EDIDLO CC[N@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccccc1OC ZINC000161148572 540031221 /nfs/dbraw/zinc/03/12/21/540031221.db2.gz RKJVVGMSQDAJOU-UHFFFAOYSA-N 1 2 342.461 1.780 20 70 EDIDLO CC[N@@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccccc1OC ZINC000161148572 540031223 /nfs/dbraw/zinc/03/12/23/540031223.db2.gz RKJVVGMSQDAJOU-UHFFFAOYSA-N 1 2 342.461 1.780 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000159984736 225314912 /nfs/dbraw/zinc/31/49/12/225314912.db2.gz OFRFTJSGIGLCAP-UHFFFAOYSA-N 1 2 339.399 1.640 20 70 EDIDLO C[C@@]1(c2ccccc2)CN(C(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000160192309 225358802 /nfs/dbraw/zinc/35/88/02/225358802.db2.gz UKEFOIIKDBQBDP-SFHVURJKSA-N 1 2 333.432 1.276 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159477167 441816416 /nfs/dbraw/zinc/81/64/16/441816416.db2.gz IXLZSIOYMVIOJV-LSDHHAIUSA-N 1 2 327.469 1.108 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000159477167 441816423 /nfs/dbraw/zinc/81/64/23/441816423.db2.gz IXLZSIOYMVIOJV-LSDHHAIUSA-N 1 2 327.469 1.108 20 70 EDIDLO CCCNC(=O)c1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160071029 441857365 /nfs/dbraw/zinc/85/73/65/441857365.db2.gz HIPWZLFJFUDCGF-MRXNPFEDSA-N 1 2 340.427 1.902 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160777911 441920441 /nfs/dbraw/zinc/92/04/41/441920441.db2.gz ACKIKRWDCMGEDB-SNVBAGLBSA-N 1 2 335.330 1.288 20 70 EDIDLO CC(C)N(C[C@H](C)O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160416308 441879012 /nfs/dbraw/zinc/87/90/12/441879012.db2.gz CRQAYEUAGTXOLM-WMZOPIPTSA-N 1 2 349.475 1.861 20 70 EDIDLO C[C@@H](NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161193499 441969853 /nfs/dbraw/zinc/96/98/53/441969853.db2.gz FBEXGABKQISTCS-OLZOCXBDSA-N 1 2 335.429 1.601 20 70 EDIDLO CC(C)(C)NC(=O)CNC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000160892697 441932116 /nfs/dbraw/zinc/93/21/16/441932116.db2.gz GWHDNPAGTCPYEI-UHFFFAOYSA-N 1 2 330.388 1.282 20 70 EDIDLO CNC(=O)CCCN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161113048 441959075 /nfs/dbraw/zinc/95/90/75/441959075.db2.gz IUYJTGHLOUUDPH-UHFFFAOYSA-N 1 2 348.447 1.509 20 70 EDIDLO CCCN(C)S(=O)(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161337179 441987449 /nfs/dbraw/zinc/98/74/49/441987449.db2.gz AQAIIVCBNCGROB-MRXNPFEDSA-N 1 2 341.477 1.236 20 70 EDIDLO O=C(Nc1cc(F)ccc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000159868770 540015669 /nfs/dbraw/zinc/01/56/69/540015669.db2.gz SSUGOZLRTIKLKD-UHFFFAOYSA-N 1 2 345.802 1.638 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCN1c1nccs1 ZINC000160437901 138640358 /nfs/dbraw/zinc/64/03/58/138640358.db2.gz UHSDZNJKJVOYCT-KGLIPLIRSA-N 1 2 336.461 1.091 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCN1c1nccs1 ZINC000160437901 138640359 /nfs/dbraw/zinc/64/03/59/138640359.db2.gz UHSDZNJKJVOYCT-KGLIPLIRSA-N 1 2 336.461 1.091 20 70 EDIDLO C[C@@]1(O)CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000160248336 225371797 /nfs/dbraw/zinc/37/17/97/225371797.db2.gz QPNPTFYUMOKAQR-GOSISDBHSA-N 1 2 328.416 1.988 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(Cl)c1 ZINC000160368020 225398270 /nfs/dbraw/zinc/39/82/70/225398270.db2.gz ZUCCGMKYASMAJD-CYBMUJFWSA-N 1 2 346.880 1.895 20 70 EDIDLO O=C(CC1CCCC1)NCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160241571 441868222 /nfs/dbraw/zinc/86/82/22/441868222.db2.gz AVOJGYHKCIURNF-UHFFFAOYSA-N 1 2 344.459 1.863 20 70 EDIDLO NS(=O)(=O)c1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)co1 ZINC000159655811 441827049 /nfs/dbraw/zinc/82/70/49/441827049.db2.gz LWAMQJJJNOATHQ-UHFFFAOYSA-N 1 2 332.341 1.365 20 70 EDIDLO COc1cccc(CC(=O)N2CC[NH+](CCOCC3CC3)CC2)c1 ZINC000159674838 441829500 /nfs/dbraw/zinc/82/95/00/441829500.db2.gz PGPQZRPEFQWLBY-UHFFFAOYSA-N 1 2 332.444 1.809 20 70 EDIDLO Cc1cc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)[nH]n1 ZINC000160815430 441924501 /nfs/dbraw/zinc/92/45/01/441924501.db2.gz DDAATYONCJCLAW-CQSZACIVSA-N 1 2 342.447 1.572 20 70 EDIDLO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160390446 441876247 /nfs/dbraw/zinc/87/62/47/441876247.db2.gz PIDFMMNKGKQNNS-GFCCVEGCSA-N 1 2 330.425 1.381 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCCC[C@@H]1C ZINC000160493035 441888313 /nfs/dbraw/zinc/88/83/13/441888313.db2.gz VJBIBYGMUZEPKU-ZDUSSCGKSA-N 1 2 346.431 1.566 20 70 EDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000160547671 441895460 /nfs/dbraw/zinc/89/54/60/441895460.db2.gz VGLNZPMEVSNOLZ-UHFFFAOYSA-N 1 2 332.448 1.969 20 70 EDIDLO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000160835358 441926184 /nfs/dbraw/zinc/92/61/84/441926184.db2.gz VLAMDJKMVIEHEQ-ZDUSSCGKSA-N 1 2 335.404 1.011 20 70 EDIDLO COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000160835358 441926189 /nfs/dbraw/zinc/92/61/89/441926189.db2.gz VLAMDJKMVIEHEQ-ZDUSSCGKSA-N 1 2 335.404 1.011 20 70 EDIDLO CC(C)CCC[C@@H](C)NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161198154 441970711 /nfs/dbraw/zinc/97/07/11/441970711.db2.gz LYNCYFIOZKWVNS-CYBMUJFWSA-N 1 2 329.466 1.666 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161250413 441977151 /nfs/dbraw/zinc/97/71/51/441977151.db2.gz BBGWRKHOJGLGCC-UHFFFAOYSA-N 1 2 330.388 1.449 20 70 EDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000160990943 441943892 /nfs/dbraw/zinc/94/38/92/441943892.db2.gz YUBKJLADWCRPFO-KRWDZBQOSA-N 1 2 344.459 1.505 20 70 EDIDLO COCCC1(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161114202 441959106 /nfs/dbraw/zinc/95/91/06/441959106.db2.gz HISDDPANIBMAGC-HOTGVXAUSA-N 1 2 341.496 1.992 20 70 EDIDLO C[C@@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161179433 441967394 /nfs/dbraw/zinc/96/73/94/441967394.db2.gz UROYPNJXJONVMM-JTQLQIEISA-N 1 2 325.365 1.501 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000159463355 540009893 /nfs/dbraw/zinc/00/98/93/540009893.db2.gz WOZQZBKFGWHESN-HNNXBMFYSA-N 1 2 348.509 1.176 20 70 EDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)[nH]1 ZINC000160463826 540023502 /nfs/dbraw/zinc/02/35/02/540023502.db2.gz GNUNBLLTIMCERT-SECBINFHSA-N 1 2 326.397 1.761 20 70 EDIDLO CCn1c2nnc(C[N@H+](C)C[C@@H](O)C3CC3)n2c2ccccc2c1=O ZINC000160818805 540026820 /nfs/dbraw/zinc/02/68/20/540026820.db2.gz YIQAVHYZEXFOOX-OAHLLOKOSA-N 1 2 341.415 1.267 20 70 EDIDLO CCn1c2nnc(C[N@@H+](C)C[C@@H](O)C3CC3)n2c2ccccc2c1=O ZINC000160818805 540026822 /nfs/dbraw/zinc/02/68/22/540026822.db2.gz YIQAVHYZEXFOOX-OAHLLOKOSA-N 1 2 341.415 1.267 20 70 EDIDLO C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)c1ccccc1 ZINC000159699876 441830158 /nfs/dbraw/zinc/83/01/58/441830158.db2.gz RJYIMDOIEVQEEV-HUUCEWRRSA-N 1 2 339.461 1.166 20 70 EDIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC(=O)N2CCCC2)n1 ZINC000159788531 441838749 /nfs/dbraw/zinc/83/87/49/441838749.db2.gz WBUBZDQZUQJNJN-MRXNPFEDSA-N 1 2 330.432 1.266 20 70 EDIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC(=O)N2CCCC2)n1 ZINC000159788531 441838753 /nfs/dbraw/zinc/83/87/53/441838753.db2.gz WBUBZDQZUQJNJN-MRXNPFEDSA-N 1 2 330.432 1.266 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159931398 441848006 /nfs/dbraw/zinc/84/80/06/441848006.db2.gz COTOGTDZTMPWPC-CYBMUJFWSA-N 1 2 348.447 1.292 20 70 EDIDLO Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000160601186 441900643 /nfs/dbraw/zinc/90/06/43/441900643.db2.gz HRYMXAXXRHODOG-WBVHZDCISA-N 1 2 332.448 1.957 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000160414951 441878886 /nfs/dbraw/zinc/87/88/86/441878886.db2.gz JVIIPQRLESMSJG-LBPRGKRZSA-N 1 2 346.880 1.895 20 70 EDIDLO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000160595718 441899980 /nfs/dbraw/zinc/89/99/80/441899980.db2.gz IBHLMDFERYWJFE-LLVKDONJSA-N 1 2 328.844 1.647 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000161208803 441972303 /nfs/dbraw/zinc/97/23/03/441972303.db2.gz CPQVUMRBWIUSLY-CYBMUJFWSA-N 1 2 343.387 1.222 20 70 EDIDLO Cn1c(=O)cccc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160877607 441931213 /nfs/dbraw/zinc/93/12/13/441931213.db2.gz IWTHDSZESZGLRF-UHFFFAOYSA-N 1 2 338.367 1.913 20 70 EDIDLO C[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000161175334 441967148 /nfs/dbraw/zinc/96/71/48/441967148.db2.gz ULXJCXGWXCAFNQ-NSHDSACASA-N 1 2 339.392 1.351 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000161345089 441989093 /nfs/dbraw/zinc/98/90/93/441989093.db2.gz MOCWAXMKCBVXFI-WBVHZDCISA-N 1 2 336.395 1.970 20 70 EDIDLO CCN(CC)c1ccc(CNC(=O)NCc2cnn(C)c2C)c[nH+]1 ZINC000160164058 528304464 /nfs/dbraw/zinc/30/44/64/528304464.db2.gz FKWGYGBWLDPGCO-UHFFFAOYSA-N 1 2 330.436 1.969 20 70 EDIDLO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159432791 225217186 /nfs/dbraw/zinc/21/71/86/225217186.db2.gz PCXRYTCFRGQMGG-CYBMUJFWSA-N 1 2 331.420 1.454 20 70 EDIDLO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000159432791 225217190 /nfs/dbraw/zinc/21/71/90/225217190.db2.gz PCXRYTCFRGQMGG-CYBMUJFWSA-N 1 2 331.420 1.454 20 70 EDIDLO Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c(F)c1 ZINC000161171954 225566254 /nfs/dbraw/zinc/56/62/54/225566254.db2.gz URLQBDQKHGMRRM-NSHDSACASA-N 1 2 339.392 1.810 20 70 EDIDLO NC(=O)CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccs1 ZINC000160077616 302920413 /nfs/dbraw/zinc/92/04/13/302920413.db2.gz UQUMLAPIWGUWJY-UHFFFAOYSA-N 1 2 348.457 1.871 20 70 EDIDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000159552935 441821615 /nfs/dbraw/zinc/82/16/15/441821615.db2.gz FFVRASAFUDPFSX-OAHLLOKOSA-N 1 2 339.480 1.204 20 70 EDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)c3ccncc3)C2)CC1 ZINC000160089208 441858950 /nfs/dbraw/zinc/85/89/50/441858950.db2.gz UARXUCGLHUPXBG-AEFFLSMTSA-N 1 2 330.476 1.814 20 70 EDIDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159609731 441823874 /nfs/dbraw/zinc/82/38/74/441823874.db2.gz JXQOMVMOTACXOH-FZKQIMNGSA-N 1 2 331.416 1.395 20 70 EDIDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159609731 441823882 /nfs/dbraw/zinc/82/38/82/441823882.db2.gz JXQOMVMOTACXOH-FZKQIMNGSA-N 1 2 331.416 1.395 20 70 EDIDLO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159779188 441837188 /nfs/dbraw/zinc/83/71/88/441837188.db2.gz UKXPMHIQCAFZNN-HUUCEWRRSA-N 1 2 342.399 1.709 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000159831909 441841836 /nfs/dbraw/zinc/84/18/36/441841836.db2.gz XYXKCDVKIZPBMX-HNNXBMFYSA-N 1 2 336.457 1.692 20 70 EDIDLO COc1ncc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1C(N)=O ZINC000160741946 441915414 /nfs/dbraw/zinc/91/54/14/441915414.db2.gz MCWMEBMDIKPFBJ-UHFFFAOYSA-N 1 2 346.412 1.247 20 70 EDIDLO COc1ncc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1C(N)=O ZINC000160741946 441915417 /nfs/dbraw/zinc/91/54/17/441915417.db2.gz MCWMEBMDIKPFBJ-UHFFFAOYSA-N 1 2 346.412 1.247 20 70 EDIDLO CN(C)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160757267 441917932 /nfs/dbraw/zinc/91/79/32/441917932.db2.gz NPMCXEPTRQLRHP-CQSZACIVSA-N 1 2 326.404 1.943 20 70 EDIDLO CC[C@H](O)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000160793790 441921595 /nfs/dbraw/zinc/92/15/95/441921595.db2.gz HNOXSSWRGVEZAV-KRWDZBQOSA-N 1 2 335.448 1.479 20 70 EDIDLO C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000160406652 441879124 /nfs/dbraw/zinc/87/91/24/441879124.db2.gz PSZNUHUSNMHSHA-ZDUSSCGKSA-N 1 2 330.425 1.213 20 70 EDIDLO O=C(NCCCNc1cccc[nH+]1)N1CCCN(CC(F)F)CC1 ZINC000160435376 441883068 /nfs/dbraw/zinc/88/30/68/441883068.db2.gz OKEKQAZGYZBJRM-UHFFFAOYSA-N 1 2 341.406 1.866 20 70 EDIDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000160551032 441895308 /nfs/dbraw/zinc/89/53/08/441895308.db2.gz GNSVXMNSGDMANN-CVEARBPZSA-N 1 2 345.447 1.574 20 70 EDIDLO C[C@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161171052 441965940 /nfs/dbraw/zinc/96/59/40/441965940.db2.gz WKUIIAFCDZRYFJ-QGZVFWFLSA-N 1 2 338.455 1.904 20 70 EDIDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161171052 441965944 /nfs/dbraw/zinc/96/59/44/441965944.db2.gz WKUIIAFCDZRYFJ-QGZVFWFLSA-N 1 2 338.455 1.904 20 70 EDIDLO C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161167792 441966074 /nfs/dbraw/zinc/96/60/74/441966074.db2.gz IXCFESSPFDRIEO-NSHDSACASA-N 1 2 339.392 1.179 20 70 EDIDLO COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161179311 441967439 /nfs/dbraw/zinc/96/74/39/441967439.db2.gz HRNGKXNNXZJSQN-LLVKDONJSA-N 1 2 337.401 1.371 20 70 EDIDLO CC(C)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)Nc1cc[nH]n1 ZINC000161418013 441997797 /nfs/dbraw/zinc/99/77/97/441997797.db2.gz SXIOOIUVQVBPNU-QWHCGFSZSA-N 1 2 344.419 1.338 20 70 EDIDLO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161470629 442003344 /nfs/dbraw/zinc/00/33/44/442003344.db2.gz FZNRLARWKYQMMT-STQMWFEESA-N 1 2 334.420 1.571 20 70 EDIDLO CC(C)[C@H](CNC(=O)c1ccnc(Cl)c1F)[NH+]1CCOCC1 ZINC000161243673 500626986 /nfs/dbraw/zinc/62/69/86/500626986.db2.gz QNVFJUJSZOMLQQ-LBPRGKRZSA-N 1 2 329.803 1.961 20 70 EDIDLO C[C@@H](CNS(=O)(=O)N(C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000160373343 534069814 /nfs/dbraw/zinc/06/98/14/534069814.db2.gz WUJBGRPUGZTPMI-AWEZNQCLSA-N 1 2 333.498 1.054 20 70 EDIDLO Cc1nccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1Cl ZINC000159519609 539482514 /nfs/dbraw/zinc/48/25/14/539482514.db2.gz DLRWUOPLPCFQLC-GFCCVEGCSA-N 1 2 342.827 1.200 20 70 EDIDLO CS(=O)(=O)c1csc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000160003613 533467676 /nfs/dbraw/zinc/46/76/76/533467676.db2.gz NPRUUQGJOJGVHJ-UHFFFAOYSA-N 1 2 330.475 1.757 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@](C)(O)c1ccc(F)cc1 ZINC000159794895 225279447 /nfs/dbraw/zinc/27/94/47/225279447.db2.gz ZSWUMXZTNYHXMA-GUYCJALGSA-N 1 2 339.411 1.053 20 70 EDIDLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cc[nH]c(=O)c1 ZINC000159674544 441828797 /nfs/dbraw/zinc/82/87/97/441828797.db2.gz BDSMTPGOVQSRMY-CYBMUJFWSA-N 1 2 333.413 1.240 20 70 EDIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000159739801 441833169 /nfs/dbraw/zinc/83/31/69/441833169.db2.gz HZUVGJNBCWUKQM-CYBMUJFWSA-N 1 2 336.436 1.895 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000160399259 441877344 /nfs/dbraw/zinc/87/73/44/441877344.db2.gz FSWSEJDCPLTHGB-LBPRGKRZSA-N 1 2 332.853 1.587 20 70 EDIDLO C[C@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161195945 441969477 /nfs/dbraw/zinc/96/94/77/441969477.db2.gz BBDOBMCJJHCCLV-CYBMUJFWSA-N 1 2 335.429 1.555 20 70 EDIDLO CC(=O)N(C)C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160856401 441928682 /nfs/dbraw/zinc/92/86/82/441928682.db2.gz ZKYOZIROBKFAFZ-UHFFFAOYSA-N 1 2 327.432 1.925 20 70 EDIDLO O=C(CNC(=O)NCCNc1ccc2ccccc2[nH+]1)N1CCCC1 ZINC000161156078 441964700 /nfs/dbraw/zinc/96/47/00/441964700.db2.gz GQRDPULUXJTZJK-UHFFFAOYSA-N 1 2 341.415 1.568 20 70 EDIDLO CC(=O)Nc1cccc(OCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161419988 441998380 /nfs/dbraw/zinc/99/83/80/441998380.db2.gz MHNNVPWLDUBEKJ-AWEZNQCLSA-N 1 2 342.399 1.599 20 70 EDIDLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC2)C[NH+]1CCOCC1 ZINC000160378524 534120293 /nfs/dbraw/zinc/12/02/93/534120293.db2.gz MMXRQDCYXXDGKW-CQSZACIVSA-N 1 2 338.473 1.422 20 70 EDIDLO Cc1noc([C@H](C)N2CCN(Cc3c[nH+]c4ccccn34)CC2)n1 ZINC000160015234 534470848 /nfs/dbraw/zinc/47/08/48/534470848.db2.gz FTUKXPHKTSDLAA-ZDUSSCGKSA-N 1 2 326.404 1.905 20 70 EDIDLO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000160372005 529698134 /nfs/dbraw/zinc/69/81/34/529698134.db2.gz XOGCIJHBIFTJSH-GFCCVEGCSA-N 1 2 332.491 1.557 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000159725002 138638028 /nfs/dbraw/zinc/63/80/28/138638028.db2.gz SYZUVBSCFVADTM-KGLIPLIRSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000159725002 138638029 /nfs/dbraw/zinc/63/80/29/138638029.db2.gz SYZUVBSCFVADTM-KGLIPLIRSA-N 1 2 328.372 1.200 20 70 EDIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159895880 138638694 /nfs/dbraw/zinc/63/86/94/138638694.db2.gz JCVNQTMQDMXNIJ-LBPRGKRZSA-N 1 2 339.461 1.987 20 70 EDIDLO COCC[C@@H](C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159716175 225265147 /nfs/dbraw/zinc/26/51/47/225265147.db2.gz TYXWYQKJEIUQED-OAHLLOKOSA-N 1 2 348.447 1.052 20 70 EDIDLO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(O)c1 ZINC000160181743 441864022 /nfs/dbraw/zinc/86/40/22/441864022.db2.gz MIIIHZJQJXIXJO-LLVKDONJSA-N 1 2 329.356 1.967 20 70 EDIDLO Cc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nc1 ZINC000159837884 441841924 /nfs/dbraw/zinc/84/19/24/441841924.db2.gz WKYVUVFPJDJBFK-INIZCTEOSA-N 1 2 330.476 1.955 20 70 EDIDLO Cc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)nc1 ZINC000159837884 441841931 /nfs/dbraw/zinc/84/19/31/441841931.db2.gz WKYVUVFPJDJBFK-INIZCTEOSA-N 1 2 330.476 1.955 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H]3CO)nc(N)c21 ZINC000160707294 441912141 /nfs/dbraw/zinc/91/21/41/441912141.db2.gz RWIBIVPBGIKPCU-SNVBAGLBSA-N 1 2 334.376 1.247 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H]3CO)nc(N)c21 ZINC000160707294 441912147 /nfs/dbraw/zinc/91/21/47/441912147.db2.gz RWIBIVPBGIKPCU-SNVBAGLBSA-N 1 2 334.376 1.247 20 70 EDIDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160799281 441922538 /nfs/dbraw/zinc/92/25/38/441922538.db2.gz VTOMVPUJRZBYJW-CQSZACIVSA-N 1 2 347.806 1.641 20 70 EDIDLO COC(=O)c1sc(N2CCC[C@H]2C[NH+]2CCOCC2)nc1Cl ZINC000160397252 441878125 /nfs/dbraw/zinc/87/81/25/441878125.db2.gz SZOQQHHFAKQFOR-JTQLQIEISA-N 1 2 345.852 1.884 20 70 EDIDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160398359 441878271 /nfs/dbraw/zinc/87/82/71/441878271.db2.gz GXEDYDLKDQVEID-AWEZNQCLSA-N 1 2 334.468 1.362 20 70 EDIDLO Cc1ccccc1CS(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160406959 441879689 /nfs/dbraw/zinc/87/96/89/441879689.db2.gz PXGZTBHGTZHJDJ-CQSZACIVSA-N 1 2 326.462 1.383 20 70 EDIDLO O=C(c1cccc(O)c1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160539506 441893906 /nfs/dbraw/zinc/89/39/06/441893906.db2.gz QOYBBIYCETYSKU-UHFFFAOYSA-N 1 2 336.395 1.998 20 70 EDIDLO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1C ZINC000160835221 441926231 /nfs/dbraw/zinc/92/62/31/441926231.db2.gz VLAMDJKMVIEHEQ-CYBMUJFWSA-N 1 2 335.404 1.011 20 70 EDIDLO COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1C ZINC000160835221 441926233 /nfs/dbraw/zinc/92/62/33/441926233.db2.gz VLAMDJKMVIEHEQ-CYBMUJFWSA-N 1 2 335.404 1.011 20 70 EDIDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cnc(N(C)C)nc2)cc1 ZINC000160946104 441938922 /nfs/dbraw/zinc/93/89/22/441938922.db2.gz XWYSBPAIDWECIT-UHFFFAOYSA-N 1 2 329.404 1.622 20 70 EDIDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cnc(N(C)C)nc2)cc1 ZINC000160946104 441938929 /nfs/dbraw/zinc/93/89/29/441938929.db2.gz XWYSBPAIDWECIT-UHFFFAOYSA-N 1 2 329.404 1.622 20 70 EDIDLO C[NH+](C)[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000161290459 441981225 /nfs/dbraw/zinc/98/12/25/441981225.db2.gz HRXJSBJWHQBEJA-CQSZACIVSA-N 1 2 344.452 1.758 20 70 EDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCN1c1nccs1 ZINC000161307468 441982974 /nfs/dbraw/zinc/98/29/74/441982974.db2.gz NOKJETRMSMOTKY-KGLIPLIRSA-N 1 2 343.456 1.902 20 70 EDIDLO C[C@H](C(=O)N[C@H]1CCC[C@H](C)[C@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161195042 138642672 /nfs/dbraw/zinc/64/26/72/138642672.db2.gz CGBAFJIKMWKOBI-DGAVXFQQSA-N 1 2 341.477 1.664 20 70 EDIDLO COc1ccc(-c2nnc(SCCn3cc[nH+]c3)n2N)cc1OC ZINC000159695314 533201778 /nfs/dbraw/zinc/20/17/78/533201778.db2.gz MSVVMZIYZWGVAD-UHFFFAOYSA-N 1 2 346.416 1.665 20 70 EDIDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000159798515 225280134 /nfs/dbraw/zinc/28/01/34/225280134.db2.gz FFFXMVMVNIFOME-LLVKDONJSA-N 1 2 330.285 1.894 20 70 EDIDLO CC1CC[NH+](CCNC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000160462926 272929748 /nfs/dbraw/zinc/92/97/48/272929748.db2.gz VHGAWEWBGLCBQK-UHFFFAOYSA-N 1 2 330.475 1.613 20 70 EDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160490651 302923049 /nfs/dbraw/zinc/92/30/49/302923049.db2.gz FLQWHCDQUWBXJF-JKSUJKDBSA-N 1 2 347.463 1.205 20 70 EDIDLO CCCCn1c(N)c(N(Cc2[nH+]ccn2C)CC(C)C)c(=O)[nH]c1=O ZINC000160764754 302923788 /nfs/dbraw/zinc/92/37/88/302923788.db2.gz LDJBBMSJUKHLDH-UHFFFAOYSA-N 1 2 348.451 1.315 20 70 EDIDLO Cn1cc[nH+]c1CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000160737816 302923803 /nfs/dbraw/zinc/92/38/03/302923803.db2.gz PIXQLYONZOKGQG-UHFFFAOYSA-N 1 2 337.431 1.263 20 70 EDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3c[nH]cn3)CC2)s1 ZINC000159581301 441823288 /nfs/dbraw/zinc/82/32/88/441823288.db2.gz RBOHTEASYNLOLE-UHFFFAOYSA-N 1 2 340.474 1.540 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000159713631 441831419 /nfs/dbraw/zinc/83/14/19/441831419.db2.gz XCSISSWRYOZGPX-HZPDHXFCSA-N 1 2 346.431 1.372 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000159713631 441831429 /nfs/dbraw/zinc/83/14/29/441831429.db2.gz XCSISSWRYOZGPX-HZPDHXFCSA-N 1 2 346.431 1.372 20 70 EDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCc2[nH]c3ccccc3c2C1 ZINC000160630939 441903350 /nfs/dbraw/zinc/90/33/50/441903350.db2.gz MKUIIHMPZKSAJC-UHFFFAOYSA-N 1 2 341.411 1.501 20 70 EDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCc2[nH]c3ccccc3c2C1 ZINC000160630939 441903355 /nfs/dbraw/zinc/90/33/55/441903355.db2.gz MKUIIHMPZKSAJC-UHFFFAOYSA-N 1 2 341.411 1.501 20 70 EDIDLO NC(=O)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000160433495 441882133 /nfs/dbraw/zinc/88/21/33/441882133.db2.gz QSQZFZMOLDXOBL-UONOGXRCSA-N 1 2 344.390 1.045 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@H]3CO)nc(N)c21 ZINC000160918865 441935591 /nfs/dbraw/zinc/93/55/91/441935591.db2.gz RWIBIVPBGIKPCU-JTQLQIEISA-N 1 2 334.376 1.247 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@H]3CO)nc(N)c21 ZINC000160918865 441935596 /nfs/dbraw/zinc/93/55/96/441935596.db2.gz RWIBIVPBGIKPCU-JTQLQIEISA-N 1 2 334.376 1.247 20 70 EDIDLO CCc1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]c(C)c1C(N)=O ZINC000161107550 441958086 /nfs/dbraw/zinc/95/80/86/441958086.db2.gz DSIFHNSCEQAILY-UHFFFAOYSA-N 1 2 343.431 1.490 20 70 EDIDLO CC[N@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cnn(C)c1 ZINC000161126690 441961428 /nfs/dbraw/zinc/96/14/28/441961428.db2.gz ZWUYNCGLENODBM-UHFFFAOYSA-N 1 2 334.395 1.576 20 70 EDIDLO CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)Cc1cnn(C)c1 ZINC000161126690 441961432 /nfs/dbraw/zinc/96/14/32/441961432.db2.gz ZWUYNCGLENODBM-UHFFFAOYSA-N 1 2 334.395 1.576 20 70 EDIDLO Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c1C ZINC000161181161 441967016 /nfs/dbraw/zinc/96/70/16/441967016.db2.gz XGTCCTAFDPDIDJ-CYBMUJFWSA-N 1 2 335.429 1.979 20 70 EDIDLO O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161381086 441991934 /nfs/dbraw/zinc/99/19/34/441991934.db2.gz YUFBSQCQWKADDZ-OAHLLOKOSA-N 1 2 349.398 1.130 20 70 EDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000161332792 441987486 /nfs/dbraw/zinc/98/74/86/441987486.db2.gz GIOAZPBUONLJAK-GJZGRUSLSA-N 1 2 349.500 1.830 20 70 EDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000161332792 441987489 /nfs/dbraw/zinc/98/74/89/441987489.db2.gz GIOAZPBUONLJAK-GJZGRUSLSA-N 1 2 349.500 1.830 20 70 EDIDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000159496151 528788735 /nfs/dbraw/zinc/78/87/35/528788735.db2.gz HLPGNFAQXWKCOA-GFCCVEGCSA-N 1 2 346.221 1.684 20 70 EDIDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000159496151 528788742 /nfs/dbraw/zinc/78/87/42/528788742.db2.gz HLPGNFAQXWKCOA-GFCCVEGCSA-N 1 2 346.221 1.684 20 70 EDIDLO NC(=O)c1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000160698298 540024918 /nfs/dbraw/zinc/02/49/18/540024918.db2.gz YWTWMRYZYUCPCA-LBPRGKRZSA-N 1 2 343.362 1.720 20 70 EDIDLO COC[C@H](O)CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000161394503 285417788 /nfs/dbraw/zinc/41/77/88/285417788.db2.gz PXRZGECQDKPUNS-CVEARBPZSA-N 1 2 338.473 1.290 20 70 EDIDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CCCC[C@@H]3CO)n12 ZINC000160018966 225322068 /nfs/dbraw/zinc/32/20/68/225322068.db2.gz AUIFGVNEUXOOJA-CYBMUJFWSA-N 1 2 341.415 1.236 20 70 EDIDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CCCC[C@@H]3CO)n12 ZINC000160018966 225322071 /nfs/dbraw/zinc/32/20/71/225322071.db2.gz AUIFGVNEUXOOJA-CYBMUJFWSA-N 1 2 341.415 1.236 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000159798944 225280449 /nfs/dbraw/zinc/28/04/49/225280449.db2.gz KLSBAZDHTTVSSC-HKUYNNGSSA-N 1 2 347.459 1.444 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000159798944 225280451 /nfs/dbraw/zinc/28/04/51/225280451.db2.gz KLSBAZDHTTVSSC-HKUYNNGSSA-N 1 2 347.459 1.444 20 70 EDIDLO C[C@H]1OCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@H]1C ZINC000159578617 225243250 /nfs/dbraw/zinc/24/32/50/225243250.db2.gz SPWWGGLHXMIQSZ-UONOGXRCSA-N 1 2 334.420 1.237 20 70 EDIDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000160026281 302919939 /nfs/dbraw/zinc/91/99/39/302919939.db2.gz OZBQLIQMGPHJRI-HZPDHXFCSA-N 1 2 344.521 1.763 20 70 EDIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000161106331 303912711 /nfs/dbraw/zinc/91/27/11/303912711.db2.gz UJEIYNAQJVODJX-NXOAAHMSSA-N 1 2 349.475 1.450 20 70 EDIDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(O)CCSCC1 ZINC000159949748 441849784 /nfs/dbraw/zinc/84/97/84/441849784.db2.gz STMUDPHOPMGEEA-UHFFFAOYSA-N 1 2 335.473 1.946 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCCCc1ccccc1 ZINC000161186486 441968300 /nfs/dbraw/zinc/96/83/00/441968300.db2.gz JDRGLVCUUIVNHF-UHFFFAOYSA-N 1 2 335.429 1.084 20 70 EDIDLO C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161193273 441969681 /nfs/dbraw/zinc/96/96/81/441969681.db2.gz FBEXGABKQISTCS-CHWSQXEVSA-N 1 2 335.429 1.601 20 70 EDIDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCO1 ZINC000160974837 441942200 /nfs/dbraw/zinc/94/22/00/441942200.db2.gz VFPUEZQFOISCCE-IAGOWNOFSA-N 1 2 332.448 1.866 20 70 EDIDLO COCCC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000161119592 441959725 /nfs/dbraw/zinc/95/97/25/441959725.db2.gz QHNVDYFDMHROQU-OAHLLOKOSA-N 1 2 325.453 1.309 20 70 EDIDLO CC[N@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cnn(C)c1 ZINC000161130167 441961048 /nfs/dbraw/zinc/96/10/48/441961048.db2.gz OMWRYQAVDIHMBX-UHFFFAOYSA-N 1 2 336.386 1.879 20 70 EDIDLO CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1cnn(C)c1 ZINC000161130167 441961058 /nfs/dbraw/zinc/96/10/58/441961058.db2.gz OMWRYQAVDIHMBX-UHFFFAOYSA-N 1 2 336.386 1.879 20 70 EDIDLO C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161167922 441966038 /nfs/dbraw/zinc/96/60/38/441966038.db2.gz IXCFESSPFDRIEO-LLVKDONJSA-N 1 2 339.392 1.179 20 70 EDIDLO C[C@@H](C(=O)NCc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161170919 441966221 /nfs/dbraw/zinc/96/62/21/441966221.db2.gz WKUIIAFCDZRYFJ-KRWDZBQOSA-N 1 2 338.455 1.904 20 70 EDIDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161170919 441966227 /nfs/dbraw/zinc/96/62/27/441966227.db2.gz WKUIIAFCDZRYFJ-KRWDZBQOSA-N 1 2 338.455 1.904 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1 ZINC000161183762 441967928 /nfs/dbraw/zinc/96/79/28/441967928.db2.gz GZSPHFPHFCEQMD-UHFFFAOYSA-N 1 2 327.793 1.627 20 70 EDIDLO Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c1C ZINC000161181274 441968006 /nfs/dbraw/zinc/96/80/06/441968006.db2.gz XGTCCTAFDPDIDJ-ZDUSSCGKSA-N 1 2 335.429 1.979 20 70 EDIDLO Cc1ccsc1C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000159896438 534471725 /nfs/dbraw/zinc/47/17/25/534471725.db2.gz VIBDVTXCCKBEHR-UHFFFAOYSA-N 1 2 337.470 1.958 20 70 EDIDLO C[C@@H](CNC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161201216 138642625 /nfs/dbraw/zinc/64/26/25/138642625.db2.gz MVOANEVYOYPYOH-KBPBESRZSA-N 1 2 349.456 1.643 20 70 EDIDLO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159432931 225216397 /nfs/dbraw/zinc/21/63/97/225216397.db2.gz PCXRYTCFRGQMGG-ZDUSSCGKSA-N 1 2 331.420 1.454 20 70 EDIDLO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000159432931 225216398 /nfs/dbraw/zinc/21/63/98/225216398.db2.gz PCXRYTCFRGQMGG-ZDUSSCGKSA-N 1 2 331.420 1.454 20 70 EDIDLO C[C@H](C(=O)N1CCCc2ccccc21)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161200526 298046617 /nfs/dbraw/zinc/04/66/17/298046617.db2.gz JJAVRBWRTOGIMF-CYBMUJFWSA-N 1 2 347.440 1.703 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159680539 441829706 /nfs/dbraw/zinc/82/97/06/441829706.db2.gz NXROZWCEQLWNJP-INIZCTEOSA-N 1 2 333.432 1.185 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159680539 441829712 /nfs/dbraw/zinc/82/97/12/441829712.db2.gz NXROZWCEQLWNJP-INIZCTEOSA-N 1 2 333.432 1.185 20 70 EDIDLO C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160646868 441906015 /nfs/dbraw/zinc/90/60/15/441906015.db2.gz SXQZKSBIDMNMJQ-RDJZCZTQSA-N 1 2 348.447 1.103 20 70 EDIDLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160799157 441921188 /nfs/dbraw/zinc/92/11/88/441921188.db2.gz VTOMVPUJRZBYJW-AWEZNQCLSA-N 1 2 347.806 1.641 20 70 EDIDLO CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160421906 441880080 /nfs/dbraw/zinc/88/00/80/441880080.db2.gz FMEAKJUSKPYTEK-UHFFFAOYSA-N 1 2 334.420 1.424 20 70 EDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160490286 441888069 /nfs/dbraw/zinc/88/80/69/441888069.db2.gz FLQWHCDQUWBXJF-CVEARBPZSA-N 1 2 347.463 1.205 20 70 EDIDLO CC(C)(C)c1nc(NCCNS(=O)(=O)c2cccnc2)cc[nH+]1 ZINC000161219428 441973695 /nfs/dbraw/zinc/97/36/95/441973695.db2.gz LRQUTDCUSULDAW-UHFFFAOYSA-N 1 2 335.433 1.560 20 70 EDIDLO COc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161179187 441967369 /nfs/dbraw/zinc/96/73/69/441967369.db2.gz HRNGKXNNXZJSQN-NSHDSACASA-N 1 2 337.401 1.371 20 70 EDIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000160295957 441870627 /nfs/dbraw/zinc/87/06/27/441870627.db2.gz XXKJLFMNOVWVBB-UHFFFAOYSA-N 1 2 341.406 1.630 20 70 EDIDLO CCOC(=O)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000160730620 441914306 /nfs/dbraw/zinc/91/43/06/441914306.db2.gz GZIDNPNFFAABGR-AWEZNQCLSA-N 1 2 334.416 1.590 20 70 EDIDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160412629 441878965 /nfs/dbraw/zinc/87/89/65/441878965.db2.gz CZWLFVHKRFHRGH-UHFFFAOYSA-N 1 2 339.442 1.543 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC(CO)CC3)nc(N)c21 ZINC000160562697 441897365 /nfs/dbraw/zinc/89/73/65/441897365.db2.gz SKQMFYZLLSVUSF-UHFFFAOYSA-N 1 2 348.403 1.494 20 70 EDIDLO CC[C@@H](O)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000160842960 441927358 /nfs/dbraw/zinc/92/73/58/441927358.db2.gz ADUMTBKYVYQDBQ-CZUORRHYSA-N 1 2 346.431 1.978 20 70 EDIDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161170426 441966550 /nfs/dbraw/zinc/96/65/50/441966550.db2.gz SUBIBVYMEHUNSK-LLVKDONJSA-N 1 2 339.392 1.810 20 70 EDIDLO C[C@@H](CNC(=O)N1CCO[C@H](c2ccsc2)C1)[NH+]1CCOCC1 ZINC000160230852 533933307 /nfs/dbraw/zinc/93/33/07/533933307.db2.gz OBPQFZRORMAERO-ZFWWWQNUSA-N 1 2 339.461 1.552 20 70 EDIDLO COc1ccccc1N1CC[C@@H](SCC[NH+]2CCOCC2)C1=O ZINC000160038487 534147912 /nfs/dbraw/zinc/14/79/12/534147912.db2.gz RMTLOSUIQKPWMK-MRXNPFEDSA-N 1 2 336.457 1.866 20 70 EDIDLO CCN(CC(=O)Nc1cccc(OC)c1)c1[nH+]cnc2c1cnn2C ZINC000217940934 139020884 /nfs/dbraw/zinc/02/08/84/139020884.db2.gz WYGUYFAHMXPTOY-UHFFFAOYSA-N 1 2 340.387 1.837 20 70 EDIDLO O=C(c1cccc2[nH]cnc21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000159505812 225229845 /nfs/dbraw/zinc/22/98/45/225229845.db2.gz PEBJNSVBNUYRTP-CQSZACIVSA-N 1 2 328.416 1.747 20 70 EDIDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000159798391 225280241 /nfs/dbraw/zinc/28/02/41/225280241.db2.gz FFFXMVMVNIFOME-NSHDSACASA-N 1 2 330.285 1.894 20 70 EDIDLO C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)[NH+]1CCN(C)CC1 ZINC000160156111 225349394 /nfs/dbraw/zinc/34/93/94/225349394.db2.gz UXCIQPHBEVORBY-CYBMUJFWSA-N 1 2 348.472 1.698 20 70 EDIDLO O=C(CC1CCCC1)NCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159551102 441821568 /nfs/dbraw/zinc/82/15/68/441821568.db2.gz NIVNOABBYMQPGI-UHFFFAOYSA-N 1 2 344.459 1.422 20 70 EDIDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000159606591 441825134 /nfs/dbraw/zinc/82/51/34/441825134.db2.gz GULBWOZKTFRDDK-WBVHZDCISA-N 1 2 346.452 1.538 20 70 EDIDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000159606591 441825140 /nfs/dbraw/zinc/82/51/40/441825140.db2.gz GULBWOZKTFRDDK-WBVHZDCISA-N 1 2 346.452 1.538 20 70 EDIDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159923637 441847238 /nfs/dbraw/zinc/84/72/38/441847238.db2.gz USXVREWOEZEUFY-CYBMUJFWSA-N 1 2 326.466 1.429 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000160636794 441904809 /nfs/dbraw/zinc/90/48/09/441904809.db2.gz SDKLQHNGRYPOKZ-UHFFFAOYSA-N 1 2 344.440 1.734 20 70 EDIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160513272 441891832 /nfs/dbraw/zinc/89/18/32/441891832.db2.gz YYNZBKIIMXOVFW-IKGGRYGDSA-N 1 2 337.464 1.450 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)NC1CCCCC1 ZINC000161215999 441973997 /nfs/dbraw/zinc/97/39/97/441973997.db2.gz YNHRXZFHWPRMLA-UHFFFAOYSA-N 1 2 327.450 1.828 20 70 EDIDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)S1 ZINC000160959203 441941568 /nfs/dbraw/zinc/94/15/68/441941568.db2.gz OINUZEKIMMGCMP-CZUORRHYSA-N 1 2 345.468 1.936 20 70 EDIDLO CC(=O)Nc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161026824 441947801 /nfs/dbraw/zinc/94/78/01/441947801.db2.gz LDXPDJRIBAUPAJ-KRWDZBQOSA-N 1 2 331.416 1.468 20 70 EDIDLO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161070663 441952406 /nfs/dbraw/zinc/95/24/06/441952406.db2.gz ILRJJJKCGANONU-AWEZNQCLSA-N 1 2 344.390 1.060 20 70 EDIDLO CC[N@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cnn(C)c1 ZINC000161107334 441957654 /nfs/dbraw/zinc/95/76/54/441957654.db2.gz ZKNPZFLJGMKZGD-UHFFFAOYSA-N 1 2 335.433 1.330 20 70 EDIDLO CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)Cc1cnn(C)c1 ZINC000161107334 441957661 /nfs/dbraw/zinc/95/76/61/441957661.db2.gz ZKNPZFLJGMKZGD-UHFFFAOYSA-N 1 2 335.433 1.330 20 70 EDIDLO CC[N@H+](CC(=O)NCc1ccccc1COC)Cc1cnn(C)c1 ZINC000161126568 441961372 /nfs/dbraw/zinc/96/13/72/441961372.db2.gz UAGFVDWDCHQUBH-UHFFFAOYSA-N 1 2 330.432 1.705 20 70 EDIDLO CC[N@@H+](CC(=O)NCc1ccccc1COC)Cc1cnn(C)c1 ZINC000161126568 441961374 /nfs/dbraw/zinc/96/13/74/441961374.db2.gz UAGFVDWDCHQUBH-UHFFFAOYSA-N 1 2 330.432 1.705 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1F)C[NH+]1CCOCC1 ZINC000160375073 534075902 /nfs/dbraw/zinc/07/59/02/534075902.db2.gz MZQFKZSDVFGQCB-NSHDSACASA-N 1 2 334.388 1.211 20 70 EDIDLO Cc1nn(C)c(=O)c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1C ZINC000161414937 302926522 /nfs/dbraw/zinc/92/65/22/302926522.db2.gz SRADYUOJOXFODR-UHFFFAOYSA-N 1 2 345.790 1.628 20 70 EDIDLO COCCOc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160092137 441858291 /nfs/dbraw/zinc/85/82/91/441858291.db2.gz XSOVMLFHZRODDG-HNNXBMFYSA-N 1 2 329.400 1.787 20 70 EDIDLO O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159924633 441847643 /nfs/dbraw/zinc/84/76/43/441847643.db2.gz OJUXSSAZZCWJJS-OAHLLOKOSA-N 1 2 338.411 1.889 20 70 EDIDLO CC(C)COC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000160537755 441893544 /nfs/dbraw/zinc/89/35/44/441893544.db2.gz ADUGYXCYSZRCAX-HNNXBMFYSA-N 1 2 325.453 1.798 20 70 EDIDLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000160543146 441894816 /nfs/dbraw/zinc/89/48/16/441894816.db2.gz CWOVAWPYUCYOGG-MRXNPFEDSA-N 1 2 344.415 1.890 20 70 EDIDLO C[C@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161196473 441969643 /nfs/dbraw/zinc/96/96/43/441969643.db2.gz DKRYLNLRRORBAJ-LLVKDONJSA-N 1 2 341.458 1.144 20 70 EDIDLO CCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161190755 441970258 /nfs/dbraw/zinc/97/02/58/441970258.db2.gz YNRWXVXJZAURKG-GFCCVEGCSA-N 1 2 335.429 1.925 20 70 EDIDLO Cc1cc(NCCNS(=O)(=O)c2cccnc2)nc(C(C)C)[nH+]1 ZINC000161204123 441971328 /nfs/dbraw/zinc/97/13/28/441971328.db2.gz VHISYDSYYSFTIR-UHFFFAOYSA-N 1 2 335.433 1.694 20 70 EDIDLO Cc1ccccc1CNC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161172353 441965805 /nfs/dbraw/zinc/96/58/05/441965805.db2.gz RKEQUJJETKOYDP-CYBMUJFWSA-N 1 2 335.429 1.348 20 70 EDIDLO COc1cccc(N2CC[NH+](CCCCS(C)(=O)=O)CC2)c1 ZINC000161150298 540031191 /nfs/dbraw/zinc/03/11/91/540031191.db2.gz WTUWHGIRGSQZFG-UHFFFAOYSA-N 1 2 326.462 1.642 20 70 EDIDLO Cc1c(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cnn1C ZINC000159537518 225235974 /nfs/dbraw/zinc/23/59/74/225235974.db2.gz ZAMWUIZJBPUEBK-UHFFFAOYSA-N 1 2 328.420 1.723 20 70 EDIDLO COc1ccccc1CNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000160014760 225319604 /nfs/dbraw/zinc/31/96/04/225319604.db2.gz HPCMQZKUSRPOPT-CQSZACIVSA-N 1 2 338.473 1.765 20 70 EDIDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)C2 ZINC000160170849 441864154 /nfs/dbraw/zinc/86/41/54/441864154.db2.gz JPVXDBSKTGQDOO-NSHDSACASA-N 1 2 339.442 1.401 20 70 EDIDLO C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161193025 441970084 /nfs/dbraw/zinc/97/00/84/441970084.db2.gz YYKANQXBASPBBW-GFCCVEGCSA-N 1 2 327.450 1.420 20 70 EDIDLO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161202935 441970958 /nfs/dbraw/zinc/97/09/58/441970958.db2.gz MBTMUOFNRNYOQN-FRRDWIJNSA-N 1 2 327.450 1.513 20 70 EDIDLO Cc1cccn2c(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c[nH+]c12 ZINC000161009573 441946378 /nfs/dbraw/zinc/94/63/78/441946378.db2.gz JXCSRAYERNDLCO-MRXNPFEDSA-N 1 2 328.416 1.466 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000161105001 441958075 /nfs/dbraw/zinc/95/80/75/441958075.db2.gz ZWOKLYNFUPJVSZ-AWEZNQCLSA-N 1 2 330.432 1.956 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000161105001 441958076 /nfs/dbraw/zinc/95/80/76/441958076.db2.gz ZWOKLYNFUPJVSZ-AWEZNQCLSA-N 1 2 330.432 1.956 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000161156564 441965243 /nfs/dbraw/zinc/96/52/43/441965243.db2.gz NFYIFKVRWJBTAO-CQSZACIVSA-N 1 2 342.399 1.654 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000161156564 441965246 /nfs/dbraw/zinc/96/52/46/441965246.db2.gz NFYIFKVRWJBTAO-CQSZACIVSA-N 1 2 342.399 1.654 20 70 EDIDLO Cc1nn(C)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1Br ZINC000160743240 486637955 /nfs/dbraw/zinc/63/79/55/486637955.db2.gz IYCNNVVKTMHDIO-GHMZBOCLSA-N 1 2 341.253 1.592 20 70 EDIDLO Cc1nn(C)c(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1Br ZINC000160743240 486637958 /nfs/dbraw/zinc/63/79/58/486637958.db2.gz IYCNNVVKTMHDIO-GHMZBOCLSA-N 1 2 341.253 1.592 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1F ZINC000160378213 534601525 /nfs/dbraw/zinc/60/15/25/534601525.db2.gz AJTSTDIWHXJMCN-SECBINFHSA-N 1 2 332.297 1.836 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(F)c(F)c(F)c1F ZINC000160378213 534601532 /nfs/dbraw/zinc/60/15/32/534601532.db2.gz AJTSTDIWHXJMCN-SECBINFHSA-N 1 2 332.297 1.836 20 70 EDIDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160196573 528375407 /nfs/dbraw/zinc/37/54/07/528375407.db2.gz YBWAIEQXICPHFD-INIZCTEOSA-N 1 2 332.448 1.512 20 70 EDIDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160196573 528375411 /nfs/dbraw/zinc/37/54/11/528375411.db2.gz YBWAIEQXICPHFD-INIZCTEOSA-N 1 2 332.448 1.512 20 70 EDIDLO CCCn1c(C)nnc1C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000159749873 528813398 /nfs/dbraw/zinc/81/33/98/528813398.db2.gz NGPROTFGAFNLIG-UHFFFAOYSA-N 1 2 335.481 1.869 20 70 EDIDLO CCCn1c(C)nnc1C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000159749873 528813401 /nfs/dbraw/zinc/81/34/01/528813401.db2.gz NGPROTFGAFNLIG-UHFFFAOYSA-N 1 2 335.481 1.869 20 70 EDIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[nH]1 ZINC000160375110 529740696 /nfs/dbraw/zinc/74/06/96/529740696.db2.gz VVFNQBLSUXKNRR-LLVKDONJSA-N 1 2 337.449 1.468 20 70 EDIDLO COc1ccccc1N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1=O ZINC000161374615 540033449 /nfs/dbraw/zinc/03/34/49/540033449.db2.gz HIVSBKNJDWEPCD-AWEZNQCLSA-N 1 2 342.399 1.594 20 70 EDIDLO Cn1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1Cl ZINC000159364570 225204029 /nfs/dbraw/zinc/20/40/29/225204029.db2.gz ZEYGNESNQQGOAJ-SNVBAGLBSA-N 1 2 341.824 1.026 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CCCC1 ZINC000159735475 225269844 /nfs/dbraw/zinc/26/98/44/225269844.db2.gz SHVAWVAPNREKLR-UHFFFAOYSA-N 1 2 332.404 1.224 20 70 EDIDLO C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000160994149 225523008 /nfs/dbraw/zinc/52/30/08/225523008.db2.gz YXZAXKZCOMUOGA-HOTGVXAUSA-N 1 2 331.464 1.541 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000159476933 441817012 /nfs/dbraw/zinc/81/70/12/441817012.db2.gz IXLZSIOYMVIOJV-GJZGRUSLSA-N 1 2 327.469 1.108 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000159476933 441817015 /nfs/dbraw/zinc/81/70/15/441817015.db2.gz IXLZSIOYMVIOJV-GJZGRUSLSA-N 1 2 327.469 1.108 20 70 EDIDLO C[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)[NH+]1CCOCC1 ZINC000160207017 441864579 /nfs/dbraw/zinc/86/45/79/441864579.db2.gz YLPJBVFSCUORCM-CYBMUJFWSA-N 1 2 349.406 1.403 20 70 EDIDLO CC(=O)C[C@@H](C)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000159592551 441822028 /nfs/dbraw/zinc/82/20/28/441822028.db2.gz SZRPZOSSQPVODS-GFCCVEGCSA-N 1 2 340.445 1.119 20 70 EDIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000159979033 441850931 /nfs/dbraw/zinc/85/09/31/441850931.db2.gz PKNKPFBVZIHYFM-CYBMUJFWSA-N 1 2 338.415 1.797 20 70 EDIDLO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000160599370 441900685 /nfs/dbraw/zinc/90/06/85/441900685.db2.gz VPMYLKIMHDSUBR-LBPRGKRZSA-N 1 2 341.839 1.869 20 70 EDIDLO O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161370138 441990880 /nfs/dbraw/zinc/99/08/80/441990880.db2.gz OYUWSKAOBDWIAJ-CQSZACIVSA-N 1 2 349.394 1.187 20 70 EDIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccco1 ZINC000160020216 527747427 /nfs/dbraw/zinc/74/74/27/527747427.db2.gz HVWDPBUYZWKUON-HNNXBMFYSA-N 1 2 326.462 1.986 20 70 EDIDLO CCOCC[NH+]1CCN(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)CC1 ZINC000159603831 528746787 /nfs/dbraw/zinc/74/67/87/528746787.db2.gz UHLLYBSPBUCROW-UHFFFAOYSA-N 1 2 337.420 1.212 20 70 EDIDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000160974463 529491160 /nfs/dbraw/zinc/49/11/60/529491160.db2.gz VFPUEZQFOISCCE-IRXDYDNUSA-N 1 2 332.448 1.866 20 70 EDIDLO Cc1cc(N2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)nc(C(C)C)[nH+]1 ZINC000159855546 225290985 /nfs/dbraw/zinc/29/09/85/225290985.db2.gz LIFVIFPTFYMNIN-CQSZACIVSA-N 1 2 346.431 1.510 20 70 EDIDLO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160371319 225398249 /nfs/dbraw/zinc/39/82/49/225398249.db2.gz JFTZQAWCWJWCHH-LBPRGKRZSA-N 1 2 346.880 1.895 20 70 EDIDLO C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCCC2)[NH+]1CCN(C)CC1 ZINC000160154684 225349572 /nfs/dbraw/zinc/34/95/72/225349572.db2.gz LJCZJKYHGALCOI-CQSZACIVSA-N 1 2 346.475 1.010 20 70 EDIDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159364770 302916844 /nfs/dbraw/zinc/91/68/44/302916844.db2.gz JERVOIOHVLAARV-CYBMUJFWSA-N 1 2 340.387 1.889 20 70 EDIDLO O=C(CC/C=C/c1ccccc1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000159821917 441840285 /nfs/dbraw/zinc/84/02/85/441840285.db2.gz MUIQJNAFRLZYDE-XBXARRHUSA-N 1 2 345.443 1.045 20 70 EDIDLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000160612768 441901854 /nfs/dbraw/zinc/90/18/54/441901854.db2.gz IWNHZWZZMKZKJJ-QGZVFWFLSA-N 1 2 346.427 1.808 20 70 EDIDLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000160612768 441901861 /nfs/dbraw/zinc/90/18/61/441901861.db2.gz IWNHZWZZMKZKJJ-QGZVFWFLSA-N 1 2 346.427 1.808 20 70 EDIDLO COc1cccc(SCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160412878 441879055 /nfs/dbraw/zinc/87/90/55/441879055.db2.gz YGXBAFXMNYIBKN-HNNXBMFYSA-N 1 2 336.457 1.767 20 70 EDIDLO COc1cccc(SCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160412878 441879062 /nfs/dbraw/zinc/87/90/62/441879062.db2.gz YGXBAFXMNYIBKN-HNNXBMFYSA-N 1 2 336.457 1.767 20 70 EDIDLO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160496827 441890459 /nfs/dbraw/zinc/89/04/59/441890459.db2.gz BFRVGCYKAMIKEU-NSHDSACASA-N 1 2 330.475 1.756 20 70 EDIDLO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160496827 441890462 /nfs/dbraw/zinc/89/04/62/441890462.db2.gz BFRVGCYKAMIKEU-NSHDSACASA-N 1 2 330.475 1.756 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000161254706 441977298 /nfs/dbraw/zinc/97/72/98/441977298.db2.gz WEIGTPSWPCURDB-UHFFFAOYSA-N 1 2 344.440 1.565 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000161254706 441977299 /nfs/dbraw/zinc/97/72/99/441977299.db2.gz WEIGTPSWPCURDB-UHFFFAOYSA-N 1 2 344.440 1.565 20 70 EDIDLO Cn1cnnc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000160855987 441928739 /nfs/dbraw/zinc/92/87/39/441928739.db2.gz JFDOYJSKMGGWHN-UHFFFAOYSA-N 1 2 325.416 1.616 20 70 EDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000161022948 441947948 /nfs/dbraw/zinc/94/79/48/441947948.db2.gz ZFYVBMQOURKFEP-INIZCTEOSA-N 1 2 341.415 1.295 20 70 EDIDLO COCCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161026438 441947996 /nfs/dbraw/zinc/94/79/96/441947996.db2.gz IMCHNWLWOOGFCY-GOSISDBHSA-N 1 2 348.443 1.535 20 70 EDIDLO C[C@H](C(=O)Nc1cccc(F)c1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161179544 441966986 /nfs/dbraw/zinc/96/69/86/441966986.db2.gz UROYPNJXJONVMM-SNVBAGLBSA-N 1 2 325.365 1.501 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc2[nH]cnc21 ZINC000160358326 529846256 /nfs/dbraw/zinc/84/62/56/529846256.db2.gz IJIBTOOSIWPVJP-UHFFFAOYSA-N 1 2 330.432 1.993 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccccc1 ZINC000159474802 529846471 /nfs/dbraw/zinc/84/64/71/529846471.db2.gz HEXJOZHLZGGMCR-UHFFFAOYSA-N 1 2 340.489 1.807 20 70 EDIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)[nH]1 ZINC000160463704 540023649 /nfs/dbraw/zinc/02/36/49/540023649.db2.gz GNUNBLLTIMCERT-VIFPVBQESA-N 1 2 326.397 1.761 20 70 EDIDLO Cc1ccc(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000160330072 225389092 /nfs/dbraw/zinc/38/90/92/225389092.db2.gz NIIQRIBNAMEYBJ-UHFFFAOYSA-N 1 2 332.444 1.995 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000159477053 441816965 /nfs/dbraw/zinc/81/69/65/441816965.db2.gz IXLZSIOYMVIOJV-HUUCEWRRSA-N 1 2 327.469 1.108 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000159477053 441816970 /nfs/dbraw/zinc/81/69/70/441816970.db2.gz IXLZSIOYMVIOJV-HUUCEWRRSA-N 1 2 327.469 1.108 20 70 EDIDLO Cn1cc[nH+]c1CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000160722449 441913137 /nfs/dbraw/zinc/91/31/37/441913137.db2.gz ZBTGDEAERGGXQT-MRXNPFEDSA-N 1 2 342.399 1.047 20 70 EDIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000160762756 441917703 /nfs/dbraw/zinc/91/77/03/441917703.db2.gz XKZBKDFIGZJDQD-OAHLLOKOSA-N 1 2 342.461 1.574 20 70 EDIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000160762756 441917708 /nfs/dbraw/zinc/91/77/08/441917708.db2.gz XKZBKDFIGZJDQD-OAHLLOKOSA-N 1 2 342.461 1.574 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cc(F)ccc1F ZINC000161182297 441968984 /nfs/dbraw/zinc/96/89/84/441968984.db2.gz YIRCRWPOZBDUAX-UHFFFAOYSA-N 1 2 329.328 1.252 20 70 EDIDLO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161203051 441970814 /nfs/dbraw/zinc/97/08/14/441970814.db2.gz MBTMUOFNRNYOQN-RWMBFGLXSA-N 1 2 327.450 1.513 20 70 EDIDLO C[C@@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000160865111 441929386 /nfs/dbraw/zinc/92/93/86/441929386.db2.gz JIWLRUFIFGUPJV-JTQLQIEISA-N 1 2 335.330 1.288 20 70 EDIDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cnn1C ZINC000160998704 441945638 /nfs/dbraw/zinc/94/56/38/441945638.db2.gz UQPRYKFHVZRMNA-UHFFFAOYSA-N 1 2 328.420 1.151 20 70 EDIDLO CNC(=O)C(C)(C)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000161062704 441952749 /nfs/dbraw/zinc/95/27/49/441952749.db2.gz NDIUAUGHQMTOHB-UHFFFAOYSA-N 1 2 341.213 1.310 20 70 EDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1cccc(F)c1 ZINC000161163819 441964980 /nfs/dbraw/zinc/96/49/80/441964980.db2.gz ACWPCVHJGAKCAQ-UHFFFAOYSA-N 1 2 328.391 1.977 20 70 EDIDLO Cn1cc(N2CC[C@@H]([NH+]3CCC([C@@H](O)C(F)(F)F)CC3)C2=O)cn1 ZINC000161400134 441995678 /nfs/dbraw/zinc/99/56/78/441995678.db2.gz PWBQJXIRFNZPSI-CHWSQXEVSA-N 1 2 346.353 1.161 20 70 EDIDLO CC(C)CCOCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159780320 527754732 /nfs/dbraw/zinc/75/47/32/527754732.db2.gz DGQMPAMORPDVLO-UHFFFAOYSA-N 1 2 334.464 1.972 20 70 EDIDLO CCc1n[nH]c(=O)c(CNC(=O)N(C)CCCn2cc[nH+]c2)c1CC ZINC000160309785 529695997 /nfs/dbraw/zinc/69/59/97/529695997.db2.gz VAJJLFDVKURNBV-UHFFFAOYSA-N 1 2 346.435 1.323 20 70 EDIDLO COc1cccc(CNC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000160018086 533507389 /nfs/dbraw/zinc/50/73/89/533507389.db2.gz UAGFWXZSHOCIGY-AWEZNQCLSA-N 1 2 338.473 1.765 20 70 EDIDLO CC(C)N(C[C@@H](C)O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160416212 302922250 /nfs/dbraw/zinc/92/22/50/302922250.db2.gz CRQAYEUAGTXOLM-AEFFLSMTSA-N 1 2 349.475 1.861 20 70 EDIDLO C[C@@H](CCC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000159715234 441832200 /nfs/dbraw/zinc/83/22/00/441832200.db2.gz AVYSFXASLCVBGE-INIZCTEOSA-N 1 2 347.459 1.135 20 70 EDIDLO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160781452 441920295 /nfs/dbraw/zinc/92/02/95/441920295.db2.gz BUQUPNFYCGXJAQ-OAHLLOKOSA-N 1 2 340.431 1.189 20 70 EDIDLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000160389904 441876621 /nfs/dbraw/zinc/87/66/21/441876621.db2.gz WPMYCROSULZFEA-CYBMUJFWSA-N 1 2 342.461 1.250 20 70 EDIDLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000160392090 441876731 /nfs/dbraw/zinc/87/67/31/441876731.db2.gz FICFVALPZBAVGQ-HUUCEWRRSA-N 1 2 326.437 1.432 20 70 EDIDLO CCCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000160392090 441876734 /nfs/dbraw/zinc/87/67/34/441876734.db2.gz FICFVALPZBAVGQ-HUUCEWRRSA-N 1 2 326.437 1.432 20 70 EDIDLO NC(=O)CC1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000160424182 441880165 /nfs/dbraw/zinc/88/01/65/441880165.db2.gz DNLOPLASDHVENQ-HNNXBMFYSA-N 1 2 345.447 1.347 20 70 EDIDLO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000160513507 441891515 /nfs/dbraw/zinc/89/15/15/441891515.db2.gz YYNZBKIIMXOVFW-ULQDDVLXSA-N 1 2 337.464 1.450 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000160957667 441940469 /nfs/dbraw/zinc/94/04/69/441940469.db2.gz BHAZTBLWASVZOX-UKRRQHHQSA-N 1 2 336.436 1.267 20 70 EDIDLO CC(C)CCn1ccc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000161128060 441961215 /nfs/dbraw/zinc/96/12/15/441961215.db2.gz GTAIGAAGFXRLMH-OAHLLOKOSA-N 1 2 336.484 1.687 20 70 EDIDLO C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@](C)(O)C3)CC2)CC1 ZINC000161354640 441989949 /nfs/dbraw/zinc/98/99/49/441989949.db2.gz MHVAEMHEPXCVGU-SFHVURJKSA-N 1 2 338.496 1.101 20 70 EDIDLO O=C(NCc1[nH]cc[nH+]1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159860547 318421509 /nfs/dbraw/zinc/42/15/09/318421509.db2.gz BKKCFSLQJVLGSF-UHFFFAOYSA-N 1 2 347.172 1.944 20 70 EDIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159600978 534685872 /nfs/dbraw/zinc/68/58/72/534685872.db2.gz NDLSZZUGGTWBQU-CQSZACIVSA-N 1 2 337.387 1.347 20 70 EDIDLO COc1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000159850550 540015238 /nfs/dbraw/zinc/01/52/38/540015238.db2.gz GFVSTCSBBMBYIQ-UHFFFAOYSA-N 1 2 341.415 1.513 20 70 EDIDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 ZINC000159437075 206245348 /nfs/dbraw/zinc/24/53/48/206245348.db2.gz BHSZDKPJWUQCQA-UHFFFAOYSA-N 1 2 327.384 1.342 20 70 EDIDLO Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1OCC1CCOCC1 ZINC000160272615 206288421 /nfs/dbraw/zinc/28/84/21/206288421.db2.gz RDRTWJKXJOFCFM-MRXNPFEDSA-N 1 2 334.416 1.727 20 70 EDIDLO CC(C)(CO)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160362205 206293215 /nfs/dbraw/zinc/29/32/15/206293215.db2.gz YCIVUFJHPDEZSZ-UHFFFAOYSA-N 1 2 334.464 1.708 20 70 EDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1ccc(F)cc1 ZINC000161157659 206331325 /nfs/dbraw/zinc/33/13/25/206331325.db2.gz HBCLBEBBUXYURN-UHFFFAOYSA-N 1 2 342.418 1.655 20 70 EDIDLO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161146894 206331437 /nfs/dbraw/zinc/33/14/37/206331437.db2.gz ZHTHZOODWWPABF-UHFFFAOYSA-N 1 2 340.427 1.847 20 70 EDIDLO C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161170109 206333348 /nfs/dbraw/zinc/33/33/48/206333348.db2.gz AJNNJMHOQFEHJU-SJLPKXTDSA-N 1 2 330.476 1.894 20 70 EDIDLO O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161302424 206340857 /nfs/dbraw/zinc/34/08/57/206340857.db2.gz DGENXGWLUMTMOS-ZDUSSCGKSA-N 1 2 337.445 1.134 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)Nc1nc2c(s1)CCC2 ZINC000160027832 302919934 /nfs/dbraw/zinc/91/99/34/302919934.db2.gz MNTNBFCUQJRQCP-UHFFFAOYSA-N 1 2 327.475 1.636 20 70 EDIDLO CC(=O)N1CSC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159480164 441816066 /nfs/dbraw/zinc/81/60/66/441816066.db2.gz FXAPONHIPXOGJZ-LBPRGKRZSA-N 1 2 338.820 1.525 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000159897771 441846419 /nfs/dbraw/zinc/84/64/19/441846419.db2.gz PIZIBEHVFAHXKD-OAHLLOKOSA-N 1 2 336.457 1.172 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)[nH]n2)cc1 ZINC000160445962 441883342 /nfs/dbraw/zinc/88/33/42/441883342.db2.gz XWYCGLIUKXPSGV-INIZCTEOSA-N 1 2 340.427 1.978 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)[nH]n2)cc1 ZINC000160445962 441883351 /nfs/dbraw/zinc/88/33/51/441883351.db2.gz XWYCGLIUKXPSGV-INIZCTEOSA-N 1 2 340.427 1.978 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000161196605 441969952 /nfs/dbraw/zinc/96/99/52/441969952.db2.gz CXEIKAZTTMRVDD-UHFFFAOYSA-N 1 2 340.405 1.259 20 70 EDIDLO CC(C)(C)OC(=O)N(CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000161235750 441976522 /nfs/dbraw/zinc/97/65/22/441976522.db2.gz KJBXPBJQAYTSPH-CYBMUJFWSA-N 1 2 348.447 1.961 20 70 EDIDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2(CO)CC2)C[C@H](C)O1 ZINC000160979609 540029523 /nfs/dbraw/zinc/02/95/23/540029523.db2.gz KSKBQRRWLKNVGR-OKILXGFUSA-N 1 2 333.432 1.942 20 70 EDIDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2(CO)CC2)C[C@H](C)O1 ZINC000160979609 540029527 /nfs/dbraw/zinc/02/95/27/540029527.db2.gz KSKBQRRWLKNVGR-OKILXGFUSA-N 1 2 333.432 1.942 20 70 EDIDLO Cc1c(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)cnn1C ZINC000159557380 206251102 /nfs/dbraw/zinc/25/11/02/206251102.db2.gz MKGGIHMYUBZXEI-UHFFFAOYSA-N 1 2 325.376 1.309 20 70 EDIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2C)CC1 ZINC000159732557 206261414 /nfs/dbraw/zinc/26/14/14/206261414.db2.gz HBUJEBAFVDSYAJ-UHFFFAOYSA-N 1 2 330.388 1.658 20 70 EDIDLO O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160271038 206288225 /nfs/dbraw/zinc/28/82/25/206288225.db2.gz QVBIMLHHNCAFEE-HUUCEWRRSA-N 1 2 343.431 1.113 20 70 EDIDLO C[C@H]([C@H](C)NC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000160480173 206299240 /nfs/dbraw/zinc/29/92/40/206299240.db2.gz YNIGUINKASICQO-WDEREUQCSA-N 1 2 349.357 1.676 20 70 EDIDLO COC(C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)OC ZINC000160682365 206308283 /nfs/dbraw/zinc/30/82/83/206308283.db2.gz ADLJCVVVJVYYKN-UHFFFAOYSA-N 1 2 328.434 1.002 20 70 EDIDLO COC(C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)OC ZINC000160682365 206308286 /nfs/dbraw/zinc/30/82/86/206308286.db2.gz ADLJCVVVJVYYKN-UHFFFAOYSA-N 1 2 328.434 1.002 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160706816 206309524 /nfs/dbraw/zinc/30/95/24/206309524.db2.gz BPFFMGOWZKLBKF-SJORKVTESA-N 1 2 335.448 1.348 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160706816 206309528 /nfs/dbraw/zinc/30/95/28/206309528.db2.gz BPFFMGOWZKLBKF-SJORKVTESA-N 1 2 335.448 1.348 20 70 EDIDLO CN(C)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000160757402 206311159 /nfs/dbraw/zinc/31/11/59/206311159.db2.gz NPMCXEPTRQLRHP-AWEZNQCLSA-N 1 2 326.404 1.943 20 70 EDIDLO CC[C@H](O)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160828679 206314839 /nfs/dbraw/zinc/31/48/39/206314839.db2.gz AILLAMXNDCIYQF-IRXDYDNUSA-N 1 2 335.448 1.520 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161012197 206323776 /nfs/dbraw/zinc/32/37/76/206323776.db2.gz VSOAIAPZYORJOG-ZDUSSCGKSA-N 1 2 344.419 1.324 20 70 EDIDLO Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)n2c1 ZINC000161040193 206325180 /nfs/dbraw/zinc/32/51/80/206325180.db2.gz BEUBLKMLUYCENV-MRXNPFEDSA-N 1 2 328.416 1.466 20 70 EDIDLO OC[C@@H]1CCCN(c2cc(N3CCC(n4ccnn4)CC3)[nH+]cn2)C1 ZINC000160238391 225367426 /nfs/dbraw/zinc/36/74/26/225367426.db2.gz JIWGOARFUNYYPI-CQSZACIVSA-N 1 2 343.435 1.118 20 70 EDIDLO OC[C@@H]1CCCN(c2cc(N3CCC(n4ccnn4)CC3)nc[nH+]2)C1 ZINC000160238391 225367430 /nfs/dbraw/zinc/36/74/30/225367430.db2.gz JIWGOARFUNYYPI-CQSZACIVSA-N 1 2 343.435 1.118 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160594993 272930218 /nfs/dbraw/zinc/93/02/18/272930218.db2.gz VMMQPNPLYSIODK-BFYDXBDKSA-N 1 2 325.453 1.044 20 70 EDIDLO Cn1cc(CCNC(=O)NCCNc2ccc3ccccc3[nH+]2)cn1 ZINC000161161835 302925625 /nfs/dbraw/zinc/92/56/25/302925625.db2.gz JTNARYFUFPPEHX-UHFFFAOYSA-N 1 2 338.415 1.922 20 70 EDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603738 441901321 /nfs/dbraw/zinc/90/13/21/441901321.db2.gz LISOOBPFDATJBG-INIZCTEOSA-N 1 2 338.473 1.429 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603738 441901325 /nfs/dbraw/zinc/90/13/25/441901325.db2.gz LISOOBPFDATJBG-INIZCTEOSA-N 1 2 338.473 1.429 20 70 EDIDLO CCC[C@@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161201593 441971427 /nfs/dbraw/zinc/97/14/27/441971427.db2.gz YBTDIHKSRCKRSG-OAHLLOKOSA-N 1 2 349.456 1.993 20 70 EDIDLO CC(C)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cn1 ZINC000161207480 441972468 /nfs/dbraw/zinc/97/24/68/441972468.db2.gz LDXUGPAMFXFOPM-UHFFFAOYSA-N 1 2 332.448 1.441 20 70 EDIDLO CC(C)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cn1 ZINC000161207480 441972472 /nfs/dbraw/zinc/97/24/72/441972472.db2.gz LDXUGPAMFXFOPM-UHFFFAOYSA-N 1 2 332.448 1.441 20 70 EDIDLO O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160862838 441929464 /nfs/dbraw/zinc/92/94/64/441929464.db2.gz FWTBDRDMJFGVDD-SNVBAGLBSA-N 1 2 329.385 1.873 20 70 EDIDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ncn1 ZINC000161258186 441978512 /nfs/dbraw/zinc/97/85/12/441978512.db2.gz ZWPOGAWUYFBJMY-UHFFFAOYSA-N 1 2 326.400 1.622 20 70 EDIDLO CC[N@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1cnn(C)c1 ZINC000161101732 441958134 /nfs/dbraw/zinc/95/81/34/441958134.db2.gz KEAREZHBLFVDBO-INIZCTEOSA-N 1 2 328.416 1.882 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@H]1CCOc2ccccc21)Cc1cnn(C)c1 ZINC000161101732 441958137 /nfs/dbraw/zinc/95/81/37/441958137.db2.gz KEAREZHBLFVDBO-INIZCTEOSA-N 1 2 328.416 1.882 20 70 EDIDLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000161322044 441984859 /nfs/dbraw/zinc/98/48/59/441984859.db2.gz JQYSHGVWQDLSTR-OAHLLOKOSA-N 1 2 336.399 1.665 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000160583194 318422903 /nfs/dbraw/zinc/42/29/03/318422903.db2.gz FYLNYTBECFDSMI-CABCVRRESA-N 1 2 348.447 1.851 20 70 EDIDLO Cc1cc2cc(NC(=O)N(CCO)CC[NH+]3CCOCC3)ccc2[nH]1 ZINC000160090593 540019565 /nfs/dbraw/zinc/01/95/65/540019565.db2.gz JKFLUANPPQIONH-UHFFFAOYSA-N 1 2 346.431 1.635 20 70 EDIDLO CC(C)n1nccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000161248047 540031713 /nfs/dbraw/zinc/03/17/13/540031713.db2.gz JJHDSSGFEYWLCY-INIZCTEOSA-N 1 2 338.477 1.402 20 70 EDIDLO CCCOc1cccc(CCNC(=O)[C@H](C)[NH+]2CCN(C)CC2)c1 ZINC000159723096 206260923 /nfs/dbraw/zinc/26/09/23/206260923.db2.gz FGTXEWLXRXOKJP-INIZCTEOSA-N 1 2 333.476 1.770 20 70 EDIDLO Cn1c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)ccc2[nH]c1=O ZINC000160003189 206274928 /nfs/dbraw/zinc/27/49/28/206274928.db2.gz JDDKZIHUHGKXGB-UHFFFAOYSA-N 1 2 343.412 1.563 20 70 EDIDLO Cn1c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)ccc2[nH]c1=O ZINC000160003189 206274933 /nfs/dbraw/zinc/27/49/33/206274933.db2.gz JDDKZIHUHGKXGB-UHFFFAOYSA-N 1 2 343.412 1.563 20 70 EDIDLO CC(C)NC(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160502468 206300080 /nfs/dbraw/zinc/30/00/80/206300080.db2.gz XHTMOUNHTRJNLF-CQSZACIVSA-N 1 2 333.432 1.275 20 70 EDIDLO COC[C@H](O)CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000160841195 206315277 /nfs/dbraw/zinc/31/52/77/206315277.db2.gz IZYFFMVBWCARTB-CQSZACIVSA-N 1 2 337.445 1.390 20 70 EDIDLO CCn1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1=O ZINC000161218480 206335379 /nfs/dbraw/zinc/33/53/79/206335379.db2.gz IDRPBDIBPPWVRE-CQSZACIVSA-N 1 2 327.388 1.664 20 70 EDIDLO CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000161489372 206351415 /nfs/dbraw/zinc/35/14/15/206351415.db2.gz IEFBJSZPRICIDS-OAHLLOKOSA-N 1 2 334.420 1.294 20 70 EDIDLO CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161050889 441950931 /nfs/dbraw/zinc/95/09/31/441950931.db2.gz XNMWIEDHDNHTKM-LSDHHAIUSA-N 1 2 332.448 1.600 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000161113809 441959789 /nfs/dbraw/zinc/95/97/89/441959789.db2.gz IZXFAXNPPJSKKY-ZDUSSCGKSA-N 1 2 343.431 1.629 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000161113809 441959793 /nfs/dbraw/zinc/95/97/93/441959793.db2.gz IZXFAXNPPJSKKY-ZDUSSCGKSA-N 1 2 343.431 1.629 20 70 EDIDLO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160267009 206288202 /nfs/dbraw/zinc/28/82/02/206288202.db2.gz OOEWLWBDEPBKNR-LLVKDONJSA-N 1 2 330.475 1.756 20 70 EDIDLO CCCOC(=O)[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351735 206292956 /nfs/dbraw/zinc/29/29/56/206292956.db2.gz DCGMQSCPCIGNNP-NWDGAFQWSA-N 1 2 328.434 1.669 20 70 EDIDLO CCCOC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351735 206292959 /nfs/dbraw/zinc/29/29/59/206292959.db2.gz DCGMQSCPCIGNNP-NWDGAFQWSA-N 1 2 328.434 1.669 20 70 EDIDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160405044 206296012 /nfs/dbraw/zinc/29/60/12/206296012.db2.gz BHDYRSPCSXAHPF-CQSZACIVSA-N 1 2 326.462 1.550 20 70 EDIDLO Cn1cc[nH+]c1CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000160722601 206310123 /nfs/dbraw/zinc/31/01/23/206310123.db2.gz ZBTGDEAERGGXQT-INIZCTEOSA-N 1 2 342.399 1.047 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160801544 206314026 /nfs/dbraw/zinc/31/40/26/206314026.db2.gz OCHKJKARQFKOAL-UHFFFAOYSA-N 1 2 335.330 1.241 20 70 EDIDLO CCNC(=O)C(C)(C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160858448 206316799 /nfs/dbraw/zinc/31/67/99/206316799.db2.gz FAHCBQPGXXVVKK-UHFFFAOYSA-N 1 2 347.463 1.071 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H](C)C1CC1 ZINC000160952045 206319666 /nfs/dbraw/zinc/31/96/66/206319666.db2.gz VORBMZFGHLVFJN-CYBMUJFWSA-N 1 2 346.431 1.422 20 70 EDIDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CSC[NH2+]2)c1 ZINC000159831011 441841681 /nfs/dbraw/zinc/84/16/81/441841681.db2.gz IOTSBCYMQNNYNQ-ZDUSSCGKSA-N 1 2 328.459 1.611 20 70 EDIDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1NC(C)=O ZINC000159847861 441843310 /nfs/dbraw/zinc/84/33/10/441843310.db2.gz CRUNPOVLFUDBPJ-KRWDZBQOSA-N 1 2 327.384 1.970 20 70 EDIDLO CCCNC(=O)c1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160071169 441856583 /nfs/dbraw/zinc/85/65/83/441856583.db2.gz HIPWZLFJFUDCGF-INIZCTEOSA-N 1 2 340.427 1.902 20 70 EDIDLO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161204727 441972816 /nfs/dbraw/zinc/97/28/16/441972816.db2.gz SWPIEGIGTSGKME-OLZOCXBDSA-N 1 2 347.440 1.701 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@@H](C)C1 ZINC000161217731 441973291 /nfs/dbraw/zinc/97/32/91/441973291.db2.gz WJPGBEJUEJPRNB-CYBMUJFWSA-N 1 2 327.450 1.637 20 70 EDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000160983551 441944608 /nfs/dbraw/zinc/94/46/08/441944608.db2.gz XIURJAPFNSFQAO-AWEZNQCLSA-N 1 2 346.456 1.961 20 70 EDIDLO CCCn1c(C)nnc1CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000161012737 441946342 /nfs/dbraw/zinc/94/63/42/441946342.db2.gz DTJPGWOOZPZEHO-OAHLLOKOSA-N 1 2 348.495 1.125 20 70 EDIDLO CC(C)(CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[NH+]1CCOCC1 ZINC000161041090 441949510 /nfs/dbraw/zinc/94/95/10/441949510.db2.gz DYVSULNVDAZVCO-KFWWJZLASA-N 1 2 337.464 1.354 20 70 EDIDLO COCCC1(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161113990 441959198 /nfs/dbraw/zinc/95/91/98/441959198.db2.gz HISDDPANIBMAGC-JKSUJKDBSA-N 1 2 341.496 1.992 20 70 EDIDLO COc1cc(CCC(=O)NCC[NH+]2CCOCC2)ccc1Cl ZINC000161141490 441961630 /nfs/dbraw/zinc/96/16/30/441961630.db2.gz OPHNQWWNPOMZIL-UHFFFAOYSA-N 1 2 326.824 1.730 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl ZINC000161176646 441966912 /nfs/dbraw/zinc/96/69/12/441966912.db2.gz JOTGTHFDEBSSJC-UHFFFAOYSA-N 1 2 345.783 1.766 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c(C)nc2c1 ZINC000159665405 206257376 /nfs/dbraw/zinc/25/73/76/206257376.db2.gz MNKFIRXRDAPSMA-ZWKOTPCHSA-N 1 2 341.411 1.707 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c(C)nc2c1 ZINC000159665405 206257380 /nfs/dbraw/zinc/25/73/80/206257380.db2.gz MNKFIRXRDAPSMA-ZWKOTPCHSA-N 1 2 341.411 1.707 20 70 EDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000159793990 206264000 /nfs/dbraw/zinc/26/40/00/206264000.db2.gz CXUVLFZMYAFJIE-KRWDZBQOSA-N 1 2 342.395 1.712 20 70 EDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2cc(OC)ccc2c1 ZINC000159793990 206264004 /nfs/dbraw/zinc/26/40/04/206264004.db2.gz CXUVLFZMYAFJIE-KRWDZBQOSA-N 1 2 342.395 1.712 20 70 EDIDLO CC(C)(CO)[C@@H](CNC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000160972517 206320935 /nfs/dbraw/zinc/32/09/35/206320935.db2.gz XLFIDQJYXNDBEH-INIZCTEOSA-N 1 2 330.432 1.985 20 70 EDIDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000160795219 441921305 /nfs/dbraw/zinc/92/13/05/441921305.db2.gz PWLUBADYNVZNQN-CQSZACIVSA-N 1 2 345.422 1.704 20 70 EDIDLO O=C(CC1CCCCC1)NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161110021 441958203 /nfs/dbraw/zinc/95/82/03/441958203.db2.gz JCQXVSALADRRQG-OAHLLOKOSA-N 1 2 332.448 1.648 20 70 EDIDLO COC(=O)c1oc(C[NH+]2CCN(Cc3nccn3C)CC2)cc1C ZINC000216935177 536868064 /nfs/dbraw/zinc/86/80/64/536868064.db2.gz FNPYXMWQXCZZMT-UHFFFAOYSA-N 1 2 332.404 1.426 20 70 EDIDLO CC(C)Cn1cnc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159363501 206241180 /nfs/dbraw/zinc/24/11/80/206241180.db2.gz YHSZKLSLKSMXDN-CQSZACIVSA-N 1 2 349.460 1.491 20 70 EDIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 ZINC000159986403 206273497 /nfs/dbraw/zinc/27/34/97/206273497.db2.gz FOYVYZLVVBSPEU-ZIAGYGMSSA-N 1 2 343.387 1.242 20 70 EDIDLO C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160313379 206289768 /nfs/dbraw/zinc/28/97/68/206289768.db2.gz SMNRFGZVULKWOJ-YQQAZPJKSA-N 1 2 335.448 1.519 20 70 EDIDLO COC(C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1)OC ZINC000160359625 206292454 /nfs/dbraw/zinc/29/24/54/206292454.db2.gz FFXLKKGVDRQRGZ-UHFFFAOYSA-N 1 2 344.358 1.665 20 70 EDIDLO COc1ccc([C@H](CCO)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000160536964 206302423 /nfs/dbraw/zinc/30/24/23/206302423.db2.gz DSTZKGFKVVFODW-INIZCTEOSA-N 1 2 332.404 1.705 20 70 EDIDLO CC[C@H](O)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000160957569 206320907 /nfs/dbraw/zinc/32/09/07/206320907.db2.gz BHAZTBLWASVZOX-HIFRSBDPSA-N 1 2 336.436 1.267 20 70 EDIDLO COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000161201692 206334820 /nfs/dbraw/zinc/33/48/20/206334820.db2.gz STFBIBCMMBFASV-CYBMUJFWSA-N 1 2 326.356 1.272 20 70 EDIDLO C[C@@H]1C[C@H]1[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccc(Cl)cc1 ZINC000161296655 272930698 /nfs/dbraw/zinc/93/06/98/272930698.db2.gz OVLBGVVBXARXRB-JDSLSITLSA-N 1 2 335.835 1.585 20 70 EDIDLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160130667 441861149 /nfs/dbraw/zinc/86/11/49/441861149.db2.gz OXAJRLCPYPEIFO-GOEBONIOSA-N 1 2 347.463 1.152 20 70 EDIDLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160130667 441861155 /nfs/dbraw/zinc/86/11/55/441861155.db2.gz OXAJRLCPYPEIFO-GOEBONIOSA-N 1 2 347.463 1.152 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c(C)nc2c1 ZINC000159665523 441829447 /nfs/dbraw/zinc/82/94/47/441829447.db2.gz MNKFIRXRDAPSMA-MSOLQXFVSA-N 1 2 341.411 1.707 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c(C)nc2c1 ZINC000159665523 441829451 /nfs/dbraw/zinc/82/94/51/441829451.db2.gz MNKFIRXRDAPSMA-MSOLQXFVSA-N 1 2 341.411 1.707 20 70 EDIDLO C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1 ZINC000159699491 441831003 /nfs/dbraw/zinc/83/10/03/441831003.db2.gz RJYIMDOIEVQEEV-GJZGRUSLSA-N 1 2 339.461 1.166 20 70 EDIDLO CC(C)(C)S(=O)(=O)CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159851844 441842974 /nfs/dbraw/zinc/84/29/74/441842974.db2.gz OCKWBVYZOVCDHI-UHFFFAOYSA-N 1 2 349.456 1.761 20 70 EDIDLO CCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160358674 441873815 /nfs/dbraw/zinc/87/38/15/441873815.db2.gz RMQMRYWRHWLVOY-UHFFFAOYSA-N 1 2 325.478 1.480 20 70 EDIDLO C[C@H]1CCCC[C@H]1OCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000160026418 441856228 /nfs/dbraw/zinc/85/62/28/441856228.db2.gz OZBQLIQMGPHJRI-JKSUJKDBSA-N 1 2 344.521 1.763 20 70 EDIDLO O=C(CCSCc1ccccn1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160429574 441882377 /nfs/dbraw/zinc/88/23/77/441882377.db2.gz MWHCXAFEFXIWAI-MRXNPFEDSA-N 1 2 335.473 1.684 20 70 EDIDLO O=C(CCSCc1ccccn1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160429574 441882381 /nfs/dbraw/zinc/88/23/81/441882381.db2.gz MWHCXAFEFXIWAI-MRXNPFEDSA-N 1 2 335.473 1.684 20 70 EDIDLO Cn1cnc(-c2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2)n1 ZINC000161206085 441972580 /nfs/dbraw/zinc/97/25/80/441972580.db2.gz CLPZJDMBJBEXSL-GJZGRUSLSA-N 1 2 342.403 1.029 20 70 EDIDLO Cn1cnc(-c2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2)n1 ZINC000161206085 441972584 /nfs/dbraw/zinc/97/25/84/441972584.db2.gz CLPZJDMBJBEXSL-GJZGRUSLSA-N 1 2 342.403 1.029 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCCCCC1 ZINC000161218585 441973366 /nfs/dbraw/zinc/97/33/66/441973366.db2.gz RGACKOLLCREINY-UHFFFAOYSA-N 1 2 327.450 1.781 20 70 EDIDLO Cn1cc(N2CC[C@H]([NH+]3CCC([C@@H](O)C(F)(F)F)CC3)C2=O)cn1 ZINC000161400015 441995067 /nfs/dbraw/zinc/99/50/67/441995067.db2.gz PWBQJXIRFNZPSI-QWHCGFSZSA-N 1 2 346.353 1.161 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000160583470 318422827 /nfs/dbraw/zinc/42/28/27/318422827.db2.gz FYLNYTBECFDSMI-GJZGRUSLSA-N 1 2 348.447 1.851 20 70 EDIDLO CC[C@@H](COC)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159676824 206257332 /nfs/dbraw/zinc/25/73/32/206257332.db2.gz NAIFEZMVCQRUBP-ROUUACIJSA-N 1 2 349.475 1.654 20 70 EDIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000159555080 206251773 /nfs/dbraw/zinc/25/17/73/206251773.db2.gz GTMLYOHUBGHJFP-KRWDZBQOSA-N 1 2 329.400 1.669 20 70 EDIDLO CCC[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000159554705 206251979 /nfs/dbraw/zinc/25/19/79/206251979.db2.gz JMHKLJRDSUJYPI-HNNXBMFYSA-N 1 2 329.404 1.978 20 70 EDIDLO C[C@@H](CO)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000159587627 206253632 /nfs/dbraw/zinc/25/36/32/206253632.db2.gz WIXRJCOKGBGBSQ-CYBMUJFWSA-N 1 2 343.427 1.901 20 70 EDIDLO COCCC[N@H+](Cc1cnc2ccccn12)[C@H]1CCS(=O)(=O)C1 ZINC000160284765 206288703 /nfs/dbraw/zinc/28/87/03/206288703.db2.gz XLFVNDQHVGQRCV-AWEZNQCLSA-N 1 2 337.445 1.360 20 70 EDIDLO COCCC[N@@H+](Cc1cnc2ccccn12)[C@H]1CCS(=O)(=O)C1 ZINC000160284765 206288707 /nfs/dbraw/zinc/28/87/07/206288707.db2.gz XLFVNDQHVGQRCV-AWEZNQCLSA-N 1 2 337.445 1.360 20 70 EDIDLO COCCCN(Cc1c[nH+]c2ccccn12)[C@H]1CCS(=O)(=O)C1 ZINC000160284765 206288710 /nfs/dbraw/zinc/28/87/10/206288710.db2.gz XLFVNDQHVGQRCV-AWEZNQCLSA-N 1 2 337.445 1.360 20 70 EDIDLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)s1 ZINC000160383928 206294454 /nfs/dbraw/zinc/29/44/54/206294454.db2.gz YFACBUZENZXNAO-LLVKDONJSA-N 1 2 332.491 1.612 20 70 EDIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000160411548 206296179 /nfs/dbraw/zinc/29/61/79/206296179.db2.gz JDJUGUZDVGHGPX-UHFFFAOYSA-N 1 2 348.428 1.033 20 70 EDIDLO O=C(Cc1cccc(OCC(F)(F)F)c1)NCC[NH+]1CCOCC1 ZINC000160748285 206311831 /nfs/dbraw/zinc/31/18/31/206311831.db2.gz VMFFLRTXMIVPKZ-UHFFFAOYSA-N 1 2 346.349 1.619 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@H]3CCOC3)nc(N)c21 ZINC000161006125 206322818 /nfs/dbraw/zinc/32/28/18/206322818.db2.gz KMSRSQWYNUILPX-JTQLQIEISA-N 1 2 334.376 1.511 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)[C@H]3CCOC3)nc(N)c21 ZINC000161006125 206322820 /nfs/dbraw/zinc/32/28/20/206322820.db2.gz KMSRSQWYNUILPX-JTQLQIEISA-N 1 2 334.376 1.511 20 70 EDIDLO COCCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161026323 206324131 /nfs/dbraw/zinc/32/41/31/206324131.db2.gz IMCHNWLWOOGFCY-SFHVURJKSA-N 1 2 348.443 1.535 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccccc1F ZINC000159449535 441814018 /nfs/dbraw/zinc/81/40/18/441814018.db2.gz KTAWEBSYHPPGBA-UHFFFAOYSA-N 1 2 344.452 1.805 20 70 EDIDLO CCOC(=O)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(O)c1 ZINC000160181861 441863642 /nfs/dbraw/zinc/86/36/42/441863642.db2.gz MIIIHZJQJXIXJO-NSHDSACASA-N 1 2 329.356 1.967 20 70 EDIDLO COc1cc(Cl)ccc1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159721956 441831666 /nfs/dbraw/zinc/83/16/66/441831666.db2.gz WVOANQKKPKANJN-DZGCQCFKSA-N 1 2 339.823 1.573 20 70 EDIDLO COc1cc(Cl)ccc1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159721956 441831677 /nfs/dbraw/zinc/83/16/77/441831677.db2.gz WVOANQKKPKANJN-DZGCQCFKSA-N 1 2 339.823 1.573 20 70 EDIDLO Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159732852 441833787 /nfs/dbraw/zinc/83/37/87/441833787.db2.gz WAQKWLSHODXUOV-HNNXBMFYSA-N 1 2 343.431 1.395 20 70 EDIDLO COCCn1c(C)cc(C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159966705 441850953 /nfs/dbraw/zinc/85/09/53/441850953.db2.gz RWIJMLSTHMEPDY-UHFFFAOYSA-N 1 2 340.489 1.999 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160756541 441917873 /nfs/dbraw/zinc/91/78/73/441917873.db2.gz ABPJACLSPFVRLR-UHFFFAOYSA-N 1 2 343.318 1.563 20 70 EDIDLO NC(=O)CC1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000160424317 441880811 /nfs/dbraw/zinc/88/08/11/441880811.db2.gz DNLOPLASDHVENQ-OAHLLOKOSA-N 1 2 345.447 1.347 20 70 EDIDLO CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161190874 441970173 /nfs/dbraw/zinc/97/01/73/441970173.db2.gz YNRWXVXJZAURKG-LBPRGKRZSA-N 1 2 335.429 1.925 20 70 EDIDLO CC(C)(CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[NH+]1CCOCC1 ZINC000161040814 441949587 /nfs/dbraw/zinc/94/95/87/441949587.db2.gz DYVSULNVDAZVCO-ZNMIVQPWSA-N 1 2 337.464 1.354 20 70 EDIDLO CCc1cccc(NC(=O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161061751 441952632 /nfs/dbraw/zinc/95/26/32/441952632.db2.gz YVUMBRMCVNBHCY-CQSZACIVSA-N 1 2 326.400 1.763 20 70 EDIDLO NC(=O)c1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000160698428 540025020 /nfs/dbraw/zinc/02/50/20/540025020.db2.gz YWTWMRYZYUCPCA-GFCCVEGCSA-N 1 2 343.362 1.720 20 70 EDIDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cncnc3)CC2)c1 ZINC000161041738 540029890 /nfs/dbraw/zinc/02/98/90/540029890.db2.gz PNRCBXAXDLPQAJ-UHFFFAOYSA-N 1 2 328.416 1.812 20 70 EDIDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)S1 ZINC000159407901 206243928 /nfs/dbraw/zinc/24/39/28/206243928.db2.gz WLBOHDUVMCUDRZ-LBPRGKRZSA-N 1 2 339.486 1.703 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000159818002 206265729 /nfs/dbraw/zinc/26/57/29/206265729.db2.gz BQUHLNWAMWUCEF-LBPRGKRZSA-N 1 2 340.411 1.853 20 70 EDIDLO CC(C)(C)C(=O)NCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159888143 206268645 /nfs/dbraw/zinc/26/86/45/206268645.db2.gz COLRXECBEPJTRV-UHFFFAOYSA-N 1 2 347.463 1.071 20 70 EDIDLO Cc1cnn(Cc2cc(C(=O)N(C)CCCn3cc[nH+]c3)no2)c1 ZINC000160066390 206278025 /nfs/dbraw/zinc/27/80/25/206278025.db2.gz LKHILEKBWFHVNP-UHFFFAOYSA-N 1 2 328.376 1.587 20 70 EDIDLO C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160313507 206289654 /nfs/dbraw/zinc/28/96/54/206289654.db2.gz SMNRFGZVULKWOJ-HLLBOEOZSA-N 1 2 335.448 1.519 20 70 EDIDLO Cc1nc(N2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000160551155 206302837 /nfs/dbraw/zinc/30/28/37/206302837.db2.gz GNSVXMNSGDMANN-HOTGVXAUSA-N 1 2 345.447 1.574 20 70 EDIDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3nncn3C)CC2)c1 ZINC000160690636 206308720 /nfs/dbraw/zinc/30/87/20/206308720.db2.gz ZMNZDJDECUFQRV-UHFFFAOYSA-N 1 2 331.420 1.150 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)[C@@H]3CCOC3)nc(N)c21 ZINC000161005985 206322881 /nfs/dbraw/zinc/32/28/81/206322881.db2.gz KMSRSQWYNUILPX-SNVBAGLBSA-N 1 2 334.376 1.511 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)[C@@H]3CCOC3)nc(N)c21 ZINC000161005985 206322884 /nfs/dbraw/zinc/32/28/84/206322884.db2.gz KMSRSQWYNUILPX-SNVBAGLBSA-N 1 2 334.376 1.511 20 70 EDIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161238554 206337555 /nfs/dbraw/zinc/33/75/55/206337555.db2.gz DJDQBKLLBHJDSQ-IAGOWNOFSA-N 1 2 330.476 1.989 20 70 EDIDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161238554 206337560 /nfs/dbraw/zinc/33/75/60/206337560.db2.gz DJDQBKLLBHJDSQ-IAGOWNOFSA-N 1 2 330.476 1.989 20 70 EDIDLO Cc1cccc(-n2cc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)nn2)c1 ZINC000161350937 206343051 /nfs/dbraw/zinc/34/30/51/206343051.db2.gz QYYPVXQWHGXOAQ-OAHLLOKOSA-N 1 2 348.410 1.979 20 70 EDIDLO CC1=C(C(=O)N(C)C)[C@@H](c2ccc(N3CCCC3)[nH+]c2)NC(=S)N1 ZINC000159396572 281615970 /nfs/dbraw/zinc/61/59/70/281615970.db2.gz FUKMEKUQEDNDQW-OAHLLOKOSA-N 1 2 345.472 1.563 20 70 EDIDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159364614 302917020 /nfs/dbraw/zinc/91/70/20/302917020.db2.gz JERVOIOHVLAARV-ZDUSSCGKSA-N 1 2 340.387 1.889 20 70 EDIDLO C[C@H]1CCC[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000159526779 441818503 /nfs/dbraw/zinc/81/85/03/441818503.db2.gz DDUASYDRZRUYNZ-UONOGXRCSA-N 1 2 342.447 1.838 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159462862 441815140 /nfs/dbraw/zinc/81/51/40/441815140.db2.gz KNZGQPQANNGRCS-SLTAFYQDSA-N 1 2 327.469 1.154 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159462862 441815145 /nfs/dbraw/zinc/81/51/45/441815145.db2.gz KNZGQPQANNGRCS-SLTAFYQDSA-N 1 2 327.469 1.154 20 70 EDIDLO CC(=O)c1ccc(OCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160379762 441875655 /nfs/dbraw/zinc/87/56/55/441875655.db2.gz SUSALYMZPTUAJN-GOSISDBHSA-N 1 2 346.427 1.638 20 70 EDIDLO CC(=O)c1ccc(OCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160379762 441875658 /nfs/dbraw/zinc/87/56/58/441875658.db2.gz SUSALYMZPTUAJN-GOSISDBHSA-N 1 2 346.427 1.638 20 70 EDIDLO COc1ccc(OCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160434791 441881466 /nfs/dbraw/zinc/88/14/66/441881466.db2.gz INFNANQUEMHWPF-QGZVFWFLSA-N 1 2 334.416 1.444 20 70 EDIDLO COc1ccc(OCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160434791 441881470 /nfs/dbraw/zinc/88/14/70/441881470.db2.gz INFNANQUEMHWPF-QGZVFWFLSA-N 1 2 334.416 1.444 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1[nH]nc2ccccc21 ZINC000160205567 529846408 /nfs/dbraw/zinc/84/64/08/529846408.db2.gz XWVMSWUMEORLSQ-UHFFFAOYSA-N 1 2 330.432 1.993 20 70 EDIDLO O=C(Nc1cccc(C(F)F)c1)N(CCO)CC[NH+]1CCOCC1 ZINC000159468365 539464413 /nfs/dbraw/zinc/46/44/13/539464413.db2.gz YEQXMODDACLKIO-UHFFFAOYSA-N 1 2 343.374 1.783 20 70 EDIDLO COc1cccc(CNC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000160018211 533504315 /nfs/dbraw/zinc/50/43/15/533504315.db2.gz UAGFWXZSHOCIGY-CQSZACIVSA-N 1 2 338.473 1.765 20 70 EDIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000159757810 225272577 /nfs/dbraw/zinc/27/25/77/225272577.db2.gz VESALGKZBAGHJD-CJNGLKHVSA-N 1 2 331.416 1.540 20 70 EDIDLO Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000160170314 225352783 /nfs/dbraw/zinc/35/27/83/225352783.db2.gz PAYHVNPRDLDBKV-QGZVFWFLSA-N 1 2 337.427 1.713 20 70 EDIDLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161191960 298092090 /nfs/dbraw/zinc/09/20/90/298092090.db2.gz JABINVIVJKZATC-RWMBFGLXSA-N 1 2 327.450 1.228 20 70 EDIDLO O=C(CNC(=O)CC1CCCC1)NCCc1cn2ccccc2[nH+]1 ZINC000159400461 302917241 /nfs/dbraw/zinc/91/72/41/302917241.db2.gz RNFGWYWQWXZRRU-UHFFFAOYSA-N 1 2 328.416 1.690 20 70 EDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000160129437 441862064 /nfs/dbraw/zinc/86/20/64/441862064.db2.gz NZBZIOMBFBWYGK-HUUCEWRRSA-N 1 2 334.420 1.285 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1OCC(C)C ZINC000159673785 441829510 /nfs/dbraw/zinc/82/95/10/441829510.db2.gz VSVKFRRTIPZOQG-QAPCUYQASA-N 1 2 348.443 1.885 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1OCC(C)C ZINC000159673785 441829513 /nfs/dbraw/zinc/82/95/13/441829513.db2.gz VSVKFRRTIPZOQG-QAPCUYQASA-N 1 2 348.443 1.885 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000159713979 441832666 /nfs/dbraw/zinc/83/26/66/441832666.db2.gz XCSISSWRYOZGPX-HOTGVXAUSA-N 1 2 346.431 1.372 20 70 EDIDLO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000159713979 441832670 /nfs/dbraw/zinc/83/26/70/441832670.db2.gz XCSISSWRYOZGPX-HOTGVXAUSA-N 1 2 346.431 1.372 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000160414838 441879196 /nfs/dbraw/zinc/87/91/96/441879196.db2.gz JVIIPQRLESMSJG-GFCCVEGCSA-N 1 2 346.880 1.895 20 70 EDIDLO C[C@@H](C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161199569 441971313 /nfs/dbraw/zinc/97/13/13/441971313.db2.gz CXHQFZWXYMOFRB-CPCZMJQVSA-N 1 2 327.450 1.418 20 70 EDIDLO COC(=O)CN(Cc1[nH+]ccn1C)Cc1cc(OC)cc(OC)c1 ZINC000160844487 441927951 /nfs/dbraw/zinc/92/79/51/441927951.db2.gz JTXQVHAXKLAVCA-UHFFFAOYSA-N 1 2 333.388 1.613 20 70 EDIDLO NC(=O)[C@H]1CC[C@H](CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000160902342 441934656 /nfs/dbraw/zinc/93/46/56/441934656.db2.gz LEFUZTWALXMSCF-PKTLASISSA-N 1 2 340.383 1.035 20 70 EDIDLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000160902458 441934664 /nfs/dbraw/zinc/93/46/64/441934664.db2.gz LEFUZTWALXMSCF-WOKDRWNGSA-N 1 2 340.383 1.035 20 70 EDIDLO CCN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161170249 441966200 /nfs/dbraw/zinc/96/62/00/441966200.db2.gz WAZAJGMVVPNXNM-UHFFFAOYSA-N 1 2 335.429 1.384 20 70 EDIDLO CNC(=O)CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161438464 442000947 /nfs/dbraw/zinc/00/09/47/442000947.db2.gz VFFAATAEVOIFML-CYBMUJFWSA-N 1 2 342.399 1.599 20 70 EDIDLO CC(C)CC(=O)NCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159788151 527658945 /nfs/dbraw/zinc/65/89/45/527658945.db2.gz DTDHJPYBPYFHND-UHFFFAOYSA-N 1 2 332.448 1.278 20 70 EDIDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000159552797 138637181 /nfs/dbraw/zinc/63/71/81/138637181.db2.gz FFVRASAFUDPFSX-HNNXBMFYSA-N 1 2 339.480 1.204 20 70 EDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccccc1F ZINC000159980103 225313136 /nfs/dbraw/zinc/31/31/36/225313136.db2.gz GJJKCAZQBOCERL-ZDUSSCGKSA-N 1 2 326.437 1.896 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159476804 441816552 /nfs/dbraw/zinc/81/65/52/441816552.db2.gz IXLZSIOYMVIOJV-CABCVRRESA-N 1 2 327.469 1.108 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000159476804 441816559 /nfs/dbraw/zinc/81/65/59/441816559.db2.gz IXLZSIOYMVIOJV-CABCVRRESA-N 1 2 327.469 1.108 20 70 EDIDLO O=C(c1cccc2nc[nH]c21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000159487771 441817262 /nfs/dbraw/zinc/81/72/62/441817262.db2.gz AACFQVJWAMPUKJ-AWEZNQCLSA-N 1 2 328.416 1.890 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000160771893 441919610 /nfs/dbraw/zinc/91/96/10/441919610.db2.gz BOLPPNVZRBGODG-UHFFFAOYSA-N 1 2 333.392 1.653 20 70 EDIDLO Cn1cnnc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000160812209 441924307 /nfs/dbraw/zinc/92/43/07/441924307.db2.gz HVMAKWFHRBXNQP-NSHDSACASA-N 1 2 334.811 1.714 20 70 EDIDLO Cn1cnnc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000160812209 441924312 /nfs/dbraw/zinc/92/43/12/441924312.db2.gz HVMAKWFHRBXNQP-NSHDSACASA-N 1 2 334.811 1.714 20 70 EDIDLO Cc1nc(-c2ccccc2)ncc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161249201 441977276 /nfs/dbraw/zinc/97/72/76/441977276.db2.gz OEQHWLMQMSNPBG-UHFFFAOYSA-N 1 2 340.427 1.856 20 70 EDIDLO CC(=O)N1CCCc2cc(NC(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000160840076 441927324 /nfs/dbraw/zinc/92/73/24/441927324.db2.gz IZBPXMHYFRDLBL-UHFFFAOYSA-N 1 2 346.431 1.439 20 70 EDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000160946338 441939510 /nfs/dbraw/zinc/93/95/10/441939510.db2.gz HQPWCQWAXSBVNC-OAHLLOKOSA-N 1 2 339.480 1.062 20 70 EDIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000160958094 441940155 /nfs/dbraw/zinc/94/01/55/441940155.db2.gz ZOOPMJSNUIFJSQ-INIZCTEOSA-N 1 2 338.473 1.763 20 70 EDIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000160958094 441940159 /nfs/dbraw/zinc/94/01/59/441940159.db2.gz ZOOPMJSNUIFJSQ-INIZCTEOSA-N 1 2 338.473 1.763 20 70 EDIDLO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000161181235 441966845 /nfs/dbraw/zinc/96/68/45/441966845.db2.gz BEVOIEXIPAWLLN-TUAOUCFPSA-N 1 2 345.490 1.218 20 70 EDIDLO CCc1ccc([C@@H](C)NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161174945 441967410 /nfs/dbraw/zinc/96/74/10/441967410.db2.gz QMLFHEWYFIDISR-CYBMUJFWSA-N 1 2 349.456 1.775 20 70 EDIDLO COC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000161377857 441992830 /nfs/dbraw/zinc/99/28/30/441992830.db2.gz AXCYYGOGRDFVRG-CYBMUJFWSA-N 1 2 326.356 1.272 20 70 EDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159823180 533712545 /nfs/dbraw/zinc/71/25/45/533712545.db2.gz CCXVBYGLVYWTID-KRWDZBQOSA-N 1 2 339.395 1.612 20 70 EDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159823180 533712552 /nfs/dbraw/zinc/71/25/52/533712552.db2.gz CCXVBYGLVYWTID-KRWDZBQOSA-N 1 2 339.395 1.612 20 70 EDIDLO O=C(CN1CCC(=O)NC1=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000216985687 486110894 /nfs/dbraw/zinc/11/08/94/486110894.db2.gz ZKNYKVPVHHFKDL-UHFFFAOYSA-N 1 2 340.339 1.754 20 70 EDIDLO Cc1c(NC(=O)C(=O)NCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000160044233 225326306 /nfs/dbraw/zinc/32/63/06/225326306.db2.gz PMVOZNQPPMVHGW-UHFFFAOYSA-N 1 2 338.371 1.132 20 70 EDIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NCc1cccnc1 ZINC000159777717 302918414 /nfs/dbraw/zinc/91/84/14/302918414.db2.gz UAVZRIIDWDTWJO-INIZCTEOSA-N 1 2 337.489 1.788 20 70 EDIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCCN1CC(F)(F)F ZINC000160004113 302919496 /nfs/dbraw/zinc/91/94/96/302919496.db2.gz KVCXRTVKJAOVSB-NSHDSACASA-N 1 2 326.384 1.605 20 70 EDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccnc(-n2cccn2)c1 ZINC000159553895 441820801 /nfs/dbraw/zinc/82/08/01/441820801.db2.gz UKIMDRMBURITBV-UHFFFAOYSA-N 1 2 336.399 1.773 20 70 EDIDLO CO[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159779049 441836620 /nfs/dbraw/zinc/83/66/20/441836620.db2.gz UKXPMHIQCAFZNN-GJZGRUSLSA-N 1 2 342.399 1.709 20 70 EDIDLO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)nc2)c[nH+]1 ZINC000159986238 441852299 /nfs/dbraw/zinc/85/22/99/441852299.db2.gz JMRSTZPFQCPAEQ-UHFFFAOYSA-N 1 2 341.415 1.886 20 70 EDIDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160675364 441907617 /nfs/dbraw/zinc/90/76/17/441907617.db2.gz VLDNRZMNGZDIJF-OAHLLOKOSA-N 1 2 343.383 1.348 20 70 EDIDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160675364 441907623 /nfs/dbraw/zinc/90/76/23/441907623.db2.gz VLDNRZMNGZDIJF-OAHLLOKOSA-N 1 2 343.383 1.348 20 70 EDIDLO CC(C)c1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160834659 441926882 /nfs/dbraw/zinc/92/68/82/441926882.db2.gz YBGCMZBRQVOJIJ-UHFFFAOYSA-N 1 2 340.489 1.887 20 70 EDIDLO Cc1ccc(F)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160390192 441876789 /nfs/dbraw/zinc/87/67/89/441876789.db2.gz XDPHGOCXELAORJ-CYBMUJFWSA-N 1 2 330.425 1.381 20 70 EDIDLO COC(=O)c1sc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc1Cl ZINC000160397105 441878151 /nfs/dbraw/zinc/87/81/51/441878151.db2.gz SZOQQHHFAKQFOR-SNVBAGLBSA-N 1 2 345.852 1.884 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160503135 441889770 /nfs/dbraw/zinc/88/97/70/441889770.db2.gz ZGNYAAFSWZTAGG-CQSZACIVSA-N 1 2 343.427 1.298 20 70 EDIDLO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160595651 441899947 /nfs/dbraw/zinc/89/99/47/441899947.db2.gz IBHLMDFERYWJFE-NSHDSACASA-N 1 2 328.844 1.647 20 70 EDIDLO C[C@H](CNC(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCOCC1 ZINC000160865245 441929587 /nfs/dbraw/zinc/92/95/87/441929587.db2.gz JIWLRUFIFGUPJV-SNVBAGLBSA-N 1 2 335.330 1.288 20 70 EDIDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160887332 441932557 /nfs/dbraw/zinc/93/25/57/441932557.db2.gz WDPTZDOLDWHYOA-HNNXBMFYSA-N 1 2 327.432 1.973 20 70 EDIDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000160887332 441932560 /nfs/dbraw/zinc/93/25/60/441932560.db2.gz WDPTZDOLDWHYOA-HNNXBMFYSA-N 1 2 327.432 1.973 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H](C)C1CC1 ZINC000160951981 441939925 /nfs/dbraw/zinc/93/99/25/441939925.db2.gz VORBMZFGHLVFJN-ZDUSSCGKSA-N 1 2 346.431 1.422 20 70 EDIDLO CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1cnn(C)c1 ZINC000161077257 441953548 /nfs/dbraw/zinc/95/35/48/441953548.db2.gz HUBGMIIFAHFIKX-UHFFFAOYSA-N 1 2 346.431 1.576 20 70 EDIDLO CC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1cnn(C)c1 ZINC000161077257 441953553 /nfs/dbraw/zinc/95/35/53/441953553.db2.gz HUBGMIIFAHFIKX-UHFFFAOYSA-N 1 2 346.431 1.576 20 70 EDIDLO CC[N@H+](CC(=O)NCCCN(C)c1ccccc1)Cc1cnn(C)c1 ZINC000161096049 441957119 /nfs/dbraw/zinc/95/71/19/441957119.db2.gz SUXPGLTUHWWNEK-UHFFFAOYSA-N 1 2 343.475 1.885 20 70 EDIDLO CC[N@@H+](CC(=O)NCCCN(C)c1ccccc1)Cc1cnn(C)c1 ZINC000161096049 441957128 /nfs/dbraw/zinc/95/71/28/441957128.db2.gz SUXPGLTUHWWNEK-UHFFFAOYSA-N 1 2 343.475 1.885 20 70 EDIDLO COCCC1(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161114088 441959291 /nfs/dbraw/zinc/95/92/91/441959291.db2.gz HISDDPANIBMAGC-HZPDHXFCSA-N 1 2 341.496 1.992 20 70 EDIDLO CC[NH+](CC)CCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000161118028 441959745 /nfs/dbraw/zinc/95/97/45/441959745.db2.gz UIKDQLGBZZTNHP-UHFFFAOYSA-N 1 2 337.449 1.468 20 70 EDIDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nncn3C)CC2)cc1F ZINC000160791602 318423360 /nfs/dbraw/zinc/42/33/60/318423360.db2.gz VENPQTBHSZIUJK-UHFFFAOYSA-N 1 2 345.422 1.791 20 70 EDIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000159601116 534686440 /nfs/dbraw/zinc/68/64/40/534686440.db2.gz NDLSZZUGGTWBQU-AWEZNQCLSA-N 1 2 337.387 1.347 20 70 EDIDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000161056184 528638949 /nfs/dbraw/zinc/63/89/49/528638949.db2.gz UVZLZLHREYMNKH-CYBMUJFWSA-N 1 2 336.436 1.042 20 70 EDIDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000161056184 528638954 /nfs/dbraw/zinc/63/89/54/528638954.db2.gz UVZLZLHREYMNKH-CYBMUJFWSA-N 1 2 336.436 1.042 20 70 EDIDLO CC(C)c1nc(N2CCCC[C@H]2CCNS(C)(=O)=O)cc[nH+]1 ZINC000160412382 540023036 /nfs/dbraw/zinc/02/30/36/540023036.db2.gz KWVGHXYQSSJBCI-ZDUSSCGKSA-N 1 2 326.466 1.898 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159818410 441840092 /nfs/dbraw/zinc/84/00/92/441840092.db2.gz YIGNARYKQWNMMK-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159818410 441840096 /nfs/dbraw/zinc/84/00/96/441840096.db2.gz YIGNARYKQWNMMK-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO Cc1nc(SCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)n[nH]1 ZINC000160016056 441854274 /nfs/dbraw/zinc/85/42/74/441854274.db2.gz JSWPXXJTLJMPHN-UHFFFAOYSA-N 1 2 341.481 1.022 20 70 EDIDLO Cc1nnc(SCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[nH]1 ZINC000160016056 441854275 /nfs/dbraw/zinc/85/42/75/441854275.db2.gz JSWPXXJTLJMPHN-UHFFFAOYSA-N 1 2 341.481 1.022 20 70 EDIDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000160812326 441923830 /nfs/dbraw/zinc/92/38/30/441923830.db2.gz HVMAKWFHRBXNQP-LLVKDONJSA-N 1 2 334.811 1.714 20 70 EDIDLO Cn1cnnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000160812326 441923836 /nfs/dbraw/zinc/92/38/36/441923836.db2.gz HVMAKWFHRBXNQP-LLVKDONJSA-N 1 2 334.811 1.714 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000161217591 441973535 /nfs/dbraw/zinc/97/35/35/441973535.db2.gz QYSFPXIWTVFFJO-ZIAGYGMSSA-N 1 2 341.477 1.883 20 70 EDIDLO CC[C@@H](O)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000160845607 441927509 /nfs/dbraw/zinc/92/75/09/441927509.db2.gz DAAIYKJWNAAQQG-ZBFHGGJFSA-N 1 2 346.431 1.978 20 70 EDIDLO O=C([C@H]1CCCO1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000161002866 441945594 /nfs/dbraw/zinc/94/55/94/441945594.db2.gz GXFGLQZYNITXIE-GOSISDBHSA-N 1 2 328.412 1.786 20 70 EDIDLO COCCC1(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC000161112265 441959341 /nfs/dbraw/zinc/95/93/41/441959341.db2.gz DKKGYSSSVHYBNL-LSDHHAIUSA-N 1 2 327.469 1.602 20 70 EDIDLO COc1cccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161144338 441963808 /nfs/dbraw/zinc/96/38/08/441963808.db2.gz RWNGFAVSALMMOG-UHFFFAOYSA-N 1 2 340.427 1.847 20 70 EDIDLO COCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161155200 441965212 /nfs/dbraw/zinc/96/52/12/441965212.db2.gz IALSGDAXFIEACK-INIZCTEOSA-N 1 2 339.457 1.703 20 70 EDIDLO COCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000161155200 441965218 /nfs/dbraw/zinc/96/52/18/441965218.db2.gz IALSGDAXFIEACK-INIZCTEOSA-N 1 2 339.457 1.703 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000161310564 441983280 /nfs/dbraw/zinc/98/32/80/441983280.db2.gz NFYIFKVRWJBTAO-AWEZNQCLSA-N 1 2 342.399 1.654 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161310564 441983283 /nfs/dbraw/zinc/98/32/83/441983283.db2.gz NFYIFKVRWJBTAO-AWEZNQCLSA-N 1 2 342.399 1.654 20 70 EDIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000159441591 533401999 /nfs/dbraw/zinc/40/19/99/533401999.db2.gz RKHRDYBJFNJWJL-ZDUSSCGKSA-N 1 2 336.461 1.857 20 70 EDIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000159441591 533402001 /nfs/dbraw/zinc/40/20/01/533402001.db2.gz RKHRDYBJFNJWJL-ZDUSSCGKSA-N 1 2 336.461 1.857 20 70 EDIDLO COCCc1noc(CN(C)c2nc(C(C)C)[nH+]c(N(C)C)n2)n1 ZINC000160490918 272929840 /nfs/dbraw/zinc/92/98/40/272929840.db2.gz WSBJEXKQGXBSKX-UHFFFAOYSA-N 1 2 335.412 1.269 20 70 EDIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCO1 ZINC000159914390 441846016 /nfs/dbraw/zinc/84/60/16/441846016.db2.gz GFAXCUQJMDFVBI-GJZGRUSLSA-N 1 2 330.494 1.372 20 70 EDIDLO CCn1cc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cn1 ZINC000160600189 441901102 /nfs/dbraw/zinc/90/11/02/441901102.db2.gz ZESVBEXCZVACGP-UHFFFAOYSA-N 1 2 346.406 1.765 20 70 EDIDLO CCc1nnc(C[NH2+][C@H](CO)c2cccc(Br)c2)[nH]1 ZINC000160746370 441915790 /nfs/dbraw/zinc/91/57/90/441915790.db2.gz UPVSUFCUVRHLSF-LLVKDONJSA-N 1 2 325.210 1.953 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160594635 441899749 /nfs/dbraw/zinc/89/97/49/441899749.db2.gz GTRMWJYLNCUHGO-ZDUSSCGKSA-N 1 2 349.406 1.403 20 70 EDIDLO COc1ccc(S(=O)(=O)N2CC(Nc3cc[nH+]c(C)n3)C2)cc1 ZINC000160943016 441939024 /nfs/dbraw/zinc/93/90/24/441939024.db2.gz CBLVKDDWUNJKRY-UHFFFAOYSA-N 1 2 334.401 1.279 20 70 EDIDLO CCC(CC)[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)[NH+]1CCOCC1 ZINC000161437318 441999403 /nfs/dbraw/zinc/99/94/03/441999403.db2.gz ZYYBGKUVKXWINJ-SUMWQHHRSA-N 1 2 336.480 1.902 20 70 EDIDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1=O ZINC000161363285 441990745 /nfs/dbraw/zinc/99/07/45/441990745.db2.gz BNLLJBUUDMPXPX-UHFFFAOYSA-N 1 2 345.830 1.997 20 70 EDIDLO COC(=O)CCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159713946 318420230 /nfs/dbraw/zinc/42/02/30/318420230.db2.gz ZABBOCKPYARIIB-UHFFFAOYSA-N 1 2 334.420 1.252 20 70 EDIDLO CC(C)CONC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159695446 528119069 /nfs/dbraw/zinc/11/90/69/528119069.db2.gz JNFCDNHQVWSTPO-KRWDZBQOSA-N 1 2 335.448 1.817 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000160000337 225316517 /nfs/dbraw/zinc/31/65/17/225316517.db2.gz VXPZZTFZKBBDBF-IJEWVQPXSA-N 1 2 348.447 1.186 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000160000337 225316520 /nfs/dbraw/zinc/31/65/20/225316520.db2.gz VXPZZTFZKBBDBF-IJEWVQPXSA-N 1 2 348.447 1.186 20 70 EDIDLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000160315420 225386814 /nfs/dbraw/zinc/38/68/14/225386814.db2.gz LUIICLLBAAQUFT-UHFFFAOYSA-N 1 2 341.415 1.202 20 70 EDIDLO C[C@H](CNC(=O)N1CCO[C@@H](c2ccsc2)C1)[NH+]1CCOCC1 ZINC000160231253 225366692 /nfs/dbraw/zinc/36/66/92/225366692.db2.gz OBPQFZRORMAERO-UKRRQHHQSA-N 1 2 339.461 1.552 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000160205034 302921061 /nfs/dbraw/zinc/92/10/61/302921061.db2.gz GJNVILXFZTZEDB-UHFFFAOYSA-N 1 2 331.376 1.497 20 70 EDIDLO CC(C)C(=O)NCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160984378 302924861 /nfs/dbraw/zinc/92/48/61/302924861.db2.gz QGNKFXJIQNTQMX-UHFFFAOYSA-N 1 2 347.463 1.071 20 70 EDIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]c2ncccc12 ZINC000159368723 441806564 /nfs/dbraw/zinc/80/65/64/441806564.db2.gz IBQPJLXXBITQJN-LBPRGKRZSA-N 1 2 343.412 1.515 20 70 EDIDLO CCN(CC)S(=O)(=O)CCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000159590830 441822510 /nfs/dbraw/zinc/82/25/10/441822510.db2.gz GLNQCDKBCLVVOJ-UHFFFAOYSA-N 1 2 344.485 1.145 20 70 EDIDLO CCN(CC)S(=O)(=O)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159590830 441822517 /nfs/dbraw/zinc/82/25/17/441822517.db2.gz GLNQCDKBCLVVOJ-UHFFFAOYSA-N 1 2 344.485 1.145 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)[nH]n2)cc1 ZINC000159654565 441827342 /nfs/dbraw/zinc/82/73/42/441827342.db2.gz UGUZKORLARXCPN-IRXDYDNUSA-N 1 2 326.400 1.540 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)[nH]n2)cc1 ZINC000159654565 441827352 /nfs/dbraw/zinc/82/73/52/441827352.db2.gz UGUZKORLARXCPN-IRXDYDNUSA-N 1 2 326.400 1.540 20 70 EDIDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1NC(C)=O ZINC000159847994 441843332 /nfs/dbraw/zinc/84/33/32/441843332.db2.gz CRUNPOVLFUDBPJ-QGZVFWFLSA-N 1 2 327.384 1.970 20 70 EDIDLO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000160613178 441902331 /nfs/dbraw/zinc/90/23/31/441902331.db2.gz ACHBOCJZHBSKGO-UHFFFAOYSA-N 1 2 348.374 1.634 20 70 EDIDLO COc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1O ZINC000160830924 441926314 /nfs/dbraw/zinc/92/63/14/441926314.db2.gz MXOMZSHXLKINMN-GFCCVEGCSA-N 1 2 331.372 1.485 20 70 EDIDLO CC[C@H](O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000160683125 441909554 /nfs/dbraw/zinc/90/95/54/441909554.db2.gz VBGVVUKHWMAVKW-UONOGXRCSA-N 1 2 341.477 1.582 20 70 EDIDLO COc1cccc(SCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160412749 441878675 /nfs/dbraw/zinc/87/86/75/441878675.db2.gz YGXBAFXMNYIBKN-OAHLLOKOSA-N 1 2 336.457 1.767 20 70 EDIDLO COc1cccc(SCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160412749 441878683 /nfs/dbraw/zinc/87/86/83/441878683.db2.gz YGXBAFXMNYIBKN-OAHLLOKOSA-N 1 2 336.457 1.767 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)[nH]n2)cc1 ZINC000160445827 441883117 /nfs/dbraw/zinc/88/31/17/441883117.db2.gz XWYCGLIUKXPSGV-MRXNPFEDSA-N 1 2 340.427 1.978 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)[nH]n2)cc1 ZINC000160445827 441883118 /nfs/dbraw/zinc/88/31/18/441883118.db2.gz XWYCGLIUKXPSGV-MRXNPFEDSA-N 1 2 340.427 1.978 20 70 EDIDLO CC(C)[C@H](NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161205356 441972101 /nfs/dbraw/zinc/97/21/01/441972101.db2.gz MAZJJBRSEMTNQY-KRWDZBQOSA-N 1 2 349.456 1.848 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H](OC)C3)nc(N)c21 ZINC000160882554 441931283 /nfs/dbraw/zinc/93/12/83/441931283.db2.gz DRCBRSCYELBNRY-LLVKDONJSA-N 1 2 348.403 1.901 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H](OC)C3)nc(N)c21 ZINC000160882554 441931287 /nfs/dbraw/zinc/93/12/87/441931287.db2.gz DRCBRSCYELBNRY-LLVKDONJSA-N 1 2 348.403 1.901 20 70 EDIDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000161110533 441958098 /nfs/dbraw/zinc/95/80/98/441958098.db2.gz YUVUQSSZENDXTR-CQSZACIVSA-N 1 2 325.390 1.856 20 70 EDIDLO CC(C)CCn1ccc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000161127951 441961292 /nfs/dbraw/zinc/96/12/92/441961292.db2.gz GTAIGAAGFXRLMH-HNNXBMFYSA-N 1 2 336.484 1.687 20 70 EDIDLO CC[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161142964 441962007 /nfs/dbraw/zinc/96/20/07/441962007.db2.gz LWRRFBJNZAYZNS-GOSISDBHSA-N 1 2 330.476 1.990 20 70 EDIDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161142964 441962020 /nfs/dbraw/zinc/96/20/20/441962020.db2.gz LWRRFBJNZAYZNS-GOSISDBHSA-N 1 2 330.476 1.990 20 70 EDIDLO CN(c1ccccc1NC(=O)CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000161416210 540033735 /nfs/dbraw/zinc/03/37/35/540033735.db2.gz SKEPJVXBIQDABM-UHFFFAOYSA-N 1 2 336.417 1.698 20 70 EDIDLO COc1ncc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1C(N)=O ZINC000160752162 267507727 /nfs/dbraw/zinc/50/77/27/267507727.db2.gz QIOLXMWMZRYLKI-UHFFFAOYSA-N 1 2 337.339 1.627 20 70 EDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)CC1 ZINC000160089491 441858530 /nfs/dbraw/zinc/85/85/30/441858530.db2.gz UARXUCGLHUPXBG-WMZOPIPTSA-N 1 2 330.476 1.814 20 70 EDIDLO CCc1c(C(=O)NCCc2cn3ccccc3[nH+]2)[nH]c(C)c1C(N)=O ZINC000160291138 441870879 /nfs/dbraw/zinc/87/08/79/441870879.db2.gz XNEKTQFKJNGZGZ-UHFFFAOYSA-N 1 2 339.399 1.605 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000160699138 441911032 /nfs/dbraw/zinc/91/10/32/441911032.db2.gz JVVYPSGSLHCEGR-UHFFFAOYSA-N 1 2 345.403 1.887 20 70 EDIDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000160415172 441878997 /nfs/dbraw/zinc/87/89/97/441878997.db2.gz UPIHTOWEUAEWRG-ZDUSSCGKSA-N 1 2 342.461 1.250 20 70 EDIDLO COc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1O ZINC000160831055 441926141 /nfs/dbraw/zinc/92/61/41/441926141.db2.gz MXOMZSHXLKINMN-LBPRGKRZSA-N 1 2 331.372 1.485 20 70 EDIDLO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000161270401 441979480 /nfs/dbraw/zinc/97/94/80/441979480.db2.gz RNDPBRRYMZTOGG-LBPRGKRZSA-N 1 2 334.449 1.881 20 70 EDIDLO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000161270401 441979486 /nfs/dbraw/zinc/97/94/86/441979486.db2.gz RNDPBRRYMZTOGG-LBPRGKRZSA-N 1 2 334.449 1.881 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@H](C)C1 ZINC000161217840 441974013 /nfs/dbraw/zinc/97/40/13/441974013.db2.gz WJPGBEJUEJPRNB-ZDUSSCGKSA-N 1 2 327.450 1.637 20 70 EDIDLO COC[C@@H](O)CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000160841122 441927554 /nfs/dbraw/zinc/92/75/54/441927554.db2.gz IZYFFMVBWCARTB-AWEZNQCLSA-N 1 2 337.445 1.390 20 70 EDIDLO O=C(CN(Cc1c[nH+]c2ccccn12)C[C@@H]1CCCO1)N1CCCC1 ZINC000160873841 441930676 /nfs/dbraw/zinc/93/06/76/441930676.db2.gz BVPHNEHGRKUQSA-KRWDZBQOSA-N 1 2 342.443 1.938 20 70 EDIDLO O=C(C[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1)N1CCCC1 ZINC000160873841 441930683 /nfs/dbraw/zinc/93/06/83/441930683.db2.gz BVPHNEHGRKUQSA-KRWDZBQOSA-N 1 2 342.443 1.938 20 70 EDIDLO O=C(C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1)N1CCCC1 ZINC000160873841 441930692 /nfs/dbraw/zinc/93/06/92/441930692.db2.gz BVPHNEHGRKUQSA-KRWDZBQOSA-N 1 2 342.443 1.938 20 70 EDIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000161087208 441955218 /nfs/dbraw/zinc/95/52/18/441955218.db2.gz BCANGYBSGWVJOM-UHFFFAOYSA-N 1 2 330.432 1.482 20 70 EDIDLO CCCC(O)(CCC)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000161455722 442001761 /nfs/dbraw/zinc/00/17/61/442001761.db2.gz QLJPKONCEIICRL-UHFFFAOYSA-N 1 2 336.480 1.786 20 70 EDIDLO CC(C)CONC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159695611 528118791 /nfs/dbraw/zinc/11/87/91/528118791.db2.gz JNFCDNHQVWSTPO-QGZVFWFLSA-N 1 2 335.448 1.817 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000159483439 529846568 /nfs/dbraw/zinc/84/65/68/529846568.db2.gz LKHWPKBOTNKREX-UHFFFAOYSA-N 1 2 344.452 1.805 20 70 EDIDLO CCn1cc(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000160000618 225317514 /nfs/dbraw/zinc/31/75/14/225317514.db2.gz VXPZZTFZKBBDBF-IIAWOOMASA-N 1 2 348.447 1.186 20 70 EDIDLO O=c1[nH]c(CN2CC[NH+](Cc3ccncc3)CC2)nc2ccccc21 ZINC000161160733 225562057 /nfs/dbraw/zinc/56/20/57/225562057.db2.gz QYUDNUKUSIACFZ-UHFFFAOYSA-N 1 2 335.411 1.636 20 70 EDIDLO CC(C)Oc1cncc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c1 ZINC000160282052 441871597 /nfs/dbraw/zinc/87/15/97/441871597.db2.gz GGBZBSZUOYSDII-UHFFFAOYSA-N 1 2 347.419 1.979 20 70 EDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@@H]21 ZINC000159843334 441840927 /nfs/dbraw/zinc/84/09/27/441840927.db2.gz OOZDFXSQUCBDRC-JLJPHGGASA-N 1 2 331.416 1.277 20 70 EDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@@H]21 ZINC000159843334 441840936 /nfs/dbraw/zinc/84/09/36/441840936.db2.gz OOZDFXSQUCBDRC-JLJPHGGASA-N 1 2 331.416 1.277 20 70 EDIDLO CC[C@H](O)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160706444 441912101 /nfs/dbraw/zinc/91/21/01/441912101.db2.gz BPFFMGOWZKLBKF-DLBZAZTESA-N 1 2 335.448 1.348 20 70 EDIDLO CC[C@H](O)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160706444 441912106 /nfs/dbraw/zinc/91/21/06/441912106.db2.gz BPFFMGOWZKLBKF-DLBZAZTESA-N 1 2 335.448 1.348 20 70 EDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000160750063 441917101 /nfs/dbraw/zinc/91/71/01/441917101.db2.gz HFYJVZCTJKRABL-UHFFFAOYSA-N 1 2 328.372 1.107 20 70 EDIDLO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160781591 441920750 /nfs/dbraw/zinc/92/07/50/441920750.db2.gz BUQUPNFYCGXJAQ-HNNXBMFYSA-N 1 2 340.431 1.189 20 70 EDIDLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000160412430 441878746 /nfs/dbraw/zinc/87/87/46/441878746.db2.gz MYYRMDUWJWGGIE-LLVKDONJSA-N 1 2 334.388 1.211 20 70 EDIDLO CC(C)N(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161182954 441968646 /nfs/dbraw/zinc/96/86/46/441968646.db2.gz VYOCPFVPYMCILP-UHFFFAOYSA-N 1 2 349.456 1.772 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000161218093 441973724 /nfs/dbraw/zinc/97/37/24/441973724.db2.gz NGJIJGIBZOKHBC-STQMWFEESA-N 1 2 343.449 1.015 20 70 EDIDLO Cc1nc(CC(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(C)s1 ZINC000160845156 441927924 /nfs/dbraw/zinc/92/79/24/441927924.db2.gz QSHQKAQBHVFXDN-SNVBAGLBSA-N 1 2 338.502 1.938 20 70 EDIDLO CC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cnn(C)c1 ZINC000161084658 441954918 /nfs/dbraw/zinc/95/49/18/441954918.db2.gz CLZKFAYJISCBTF-UHFFFAOYSA-N 1 2 332.404 1.898 20 70 EDIDLO CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1cnn(C)c1 ZINC000161084658 441954920 /nfs/dbraw/zinc/95/49/20/441954920.db2.gz CLZKFAYJISCBTF-UHFFFAOYSA-N 1 2 332.404 1.898 20 70 EDIDLO COCCC1(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000161098257 441956547 /nfs/dbraw/zinc/95/65/47/441956547.db2.gz GDBUWSIMCFWDLF-UHFFFAOYSA-N 1 2 335.452 1.064 20 70 EDIDLO O=C(Cn1cnc2ccccc2c1=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161370258 441990890 /nfs/dbraw/zinc/99/08/90/441990890.db2.gz OYUWSKAOBDWIAJ-AWEZNQCLSA-N 1 2 349.394 1.187 20 70 EDIDLO O=C([C@@H]1CCNC(=O)C1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161313211 441985119 /nfs/dbraw/zinc/98/51/19/441985119.db2.gz IPOIBDXSKWBWNU-CYBMUJFWSA-N 1 2 335.835 1.510 20 70 EDIDLO NC(=O)CN(CCC1CCCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161135116 501033316 /nfs/dbraw/zinc/03/33/16/501033316.db2.gz VAEDOHAGIVAHNC-HNNXBMFYSA-N 1 2 332.448 1.730 20 70 EDIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)NC1CCOCC1 ZINC000159507893 534546407 /nfs/dbraw/zinc/54/64/07/534546407.db2.gz KLHOWUKZNLAKJS-LJQANCHMSA-N 1 2 330.428 1.456 20 70 EDIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)NC1CCOCC1 ZINC000159507893 534546417 /nfs/dbraw/zinc/54/64/17/534546417.db2.gz KLHOWUKZNLAKJS-LJQANCHMSA-N 1 2 330.428 1.456 20 70 EDIDLO CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000160276429 526490112 /nfs/dbraw/zinc/49/01/12/526490112.db2.gz KSRLZBMLBRSBOR-KGLIPLIRSA-N 1 2 348.447 1.961 20 70 EDIDLO CC[C@@H](COC)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159677027 529518475 /nfs/dbraw/zinc/51/84/75/529518475.db2.gz NAIFEZMVCQRUBP-ZWKOTPCHSA-N 1 2 349.475 1.654 20 70 EDIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000159758172 225272522 /nfs/dbraw/zinc/27/25/22/225272522.db2.gz VESALGKZBAGHJD-XJKSGUPXSA-N 1 2 331.416 1.540 20 70 EDIDLO CC(C)COC(=O)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000160536592 302923021 /nfs/dbraw/zinc/92/30/21/302923021.db2.gz OKYRLLSBRJRNKF-HNNXBMFYSA-N 1 2 340.420 1.567 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c(C)nc2c1 ZINC000159665639 441829652 /nfs/dbraw/zinc/82/96/52/441829652.db2.gz MNKFIRXRDAPSMA-ROUUACIJSA-N 1 2 341.411 1.707 20 70 EDIDLO COc1ccc2cc(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c(C)nc2c1 ZINC000159665639 441829657 /nfs/dbraw/zinc/82/96/57/441829657.db2.gz MNKFIRXRDAPSMA-ROUUACIJSA-N 1 2 341.411 1.707 20 70 EDIDLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cnc1Cl ZINC000160381734 441875155 /nfs/dbraw/zinc/87/51/55/441875155.db2.gz IRGKESSTORRZIP-LLVKDONJSA-N 1 2 347.868 1.290 20 70 EDIDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000160390035 441876193 /nfs/dbraw/zinc/87/61/93/441876193.db2.gz WPMYCROSULZFEA-ZDUSSCGKSA-N 1 2 342.461 1.250 20 70 EDIDLO CCOC(=O)c1cnc(N2CCC[C@H]2C[NH+]2CCOCC2)nc1C ZINC000160418616 441880834 /nfs/dbraw/zinc/88/08/34/441880834.db2.gz FBYCRXWKSQLTOH-AWEZNQCLSA-N 1 2 334.420 1.263 20 70 EDIDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161238304 441975686 /nfs/dbraw/zinc/97/56/86/441975686.db2.gz DJDQBKLLBHJDSQ-CALCHBBNSA-N 1 2 330.476 1.989 20 70 EDIDLO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161238304 441975691 /nfs/dbraw/zinc/97/56/91/441975691.db2.gz DJDQBKLLBHJDSQ-CALCHBBNSA-N 1 2 330.476 1.989 20 70 EDIDLO Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161243010 441976216 /nfs/dbraw/zinc/97/62/16/441976216.db2.gz DCEAIKPWCGFPJX-OAHLLOKOSA-N 1 2 348.410 1.979 20 70 EDIDLO CCOC(=O)CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161017689 441947964 /nfs/dbraw/zinc/94/79/64/441947964.db2.gz FMNVIMPPHHZNBZ-OAHLLOKOSA-N 1 2 348.447 1.641 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000161053894 441950841 /nfs/dbraw/zinc/95/08/41/441950841.db2.gz MRCJTCMTUORRPA-FZMZJTMJSA-N 1 2 345.403 1.790 20 70 EDIDLO OC[C@H]1CCCN(c2cc(N3CCC(n4ccnn4)CC3)[nH+]cn2)C1 ZINC000160238233 534397301 /nfs/dbraw/zinc/39/73/01/534397301.db2.gz JIWGOARFUNYYPI-AWEZNQCLSA-N 1 2 343.435 1.118 20 70 EDIDLO OC[C@H]1CCCN(c2cc(N3CCC(n4ccnn4)CC3)nc[nH+]2)C1 ZINC000160238233 534397311 /nfs/dbraw/zinc/39/73/11/534397311.db2.gz JIWGOARFUNYYPI-AWEZNQCLSA-N 1 2 343.435 1.118 20 70 EDIDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000160144282 529122760 /nfs/dbraw/zinc/12/27/60/529122760.db2.gz PGAWFNIYLPPUTD-UHFFFAOYSA-N 1 2 338.411 1.851 20 70 EDIDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccccc1-n1cccn1 ZINC000160269601 299155301 /nfs/dbraw/zinc/15/53/01/299155301.db2.gz YQXUTLWODRDIQT-HNNXBMFYSA-N 1 2 343.431 1.565 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000159627211 225252195 /nfs/dbraw/zinc/25/21/95/225252195.db2.gz HOKKHRQUFGRJTE-SFHVURJKSA-N 1 2 333.432 1.898 20 70 EDIDLO COCCOCCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161163821 302925852 /nfs/dbraw/zinc/92/58/52/302925852.db2.gz FEVULJCNFNXKHG-UHFFFAOYSA-N 1 2 332.404 1.609 20 70 EDIDLO O=C(NCC[NH+]1CCOCC1)NC[C@H]1C[C@@]12CCCc1ccccc12 ZINC000160222698 441866301 /nfs/dbraw/zinc/86/63/01/441866301.db2.gz VZNYDCVEXVERQG-XLIONFOSSA-N 1 2 343.471 1.912 20 70 EDIDLO CCc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1CC ZINC000159910599 441845532 /nfs/dbraw/zinc/84/55/32/441845532.db2.gz PCVUXIATUMPSAV-UHFFFAOYSA-N 1 2 340.489 1.812 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000160385609 441876569 /nfs/dbraw/zinc/87/65/69/441876569.db2.gz RAWQDKRVDCMAMF-CQSZACIVSA-N 1 2 326.462 1.550 20 70 EDIDLO NC(=O)[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000160563746 441897615 /nfs/dbraw/zinc/89/76/15/441897615.db2.gz YMKVJMZKNDNMNG-OAHLLOKOSA-N 1 2 336.388 1.416 20 70 EDIDLO Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1C ZINC000161181491 441968621 /nfs/dbraw/zinc/96/86/21/441968621.db2.gz MLPTVCXZXWKXGO-ZDUSSCGKSA-N 1 2 335.429 1.979 20 70 EDIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000161024494 441947895 /nfs/dbraw/zinc/94/78/95/441947895.db2.gz AAUKXPFWUSACFL-KRWDZBQOSA-N 1 2 341.415 1.091 20 70 EDIDLO CC[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cnn(C)c1 ZINC000161101589 441957932 /nfs/dbraw/zinc/95/79/32/441957932.db2.gz KEAREZHBLFVDBO-MRXNPFEDSA-N 1 2 328.416 1.882 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)Cc1cnn(C)c1 ZINC000161101589 441957935 /nfs/dbraw/zinc/95/79/35/441957935.db2.gz KEAREZHBLFVDBO-MRXNPFEDSA-N 1 2 328.416 1.882 20 70 EDIDLO CC(C)(C)OC(=O)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160357243 526356490 /nfs/dbraw/zinc/35/64/90/526356490.db2.gz CSQKHARCQNHJCC-UHFFFAOYSA-N 1 2 348.447 1.641 20 70 EDIDLO CC(C)OC[C@@H](O)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000160269562 528012292 /nfs/dbraw/zinc/01/22/92/528012292.db2.gz LHIQKDNXFLOSKW-KRWDZBQOSA-N 1 2 336.432 1.727 20 70 EDIDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C(=O)N1CCC2(CCC2)C1 ZINC000159392725 225208209 /nfs/dbraw/zinc/20/82/09/225208209.db2.gz MJSNNKWOLAGDCL-UHFFFAOYSA-N 1 2 325.372 1.608 20 70 EDIDLO C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccsc1 ZINC000159996677 441852334 /nfs/dbraw/zinc/85/23/34/441852334.db2.gz LPJCOPBGSRQCBU-CQSZACIVSA-N 1 2 349.500 1.912 20 70 EDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000160833660 441926350 /nfs/dbraw/zinc/92/63/50/441926350.db2.gz UNWAHKZLFFGYDY-UHFFFAOYSA-N 1 2 330.425 1.044 20 70 EDIDLO CN(C)C(=O)C1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160696552 441910440 /nfs/dbraw/zinc/91/04/40/441910440.db2.gz CLDLVBPLBBGLHD-UHFFFAOYSA-N 1 2 327.432 1.782 20 70 EDIDLO Cc1cc(C)cc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c1 ZINC000161171690 441966010 /nfs/dbraw/zinc/96/60/10/441966010.db2.gz PZKZKJJKZMEYJC-ZDUSSCGKSA-N 1 2 335.429 1.979 20 70 EDIDLO CNC(=O)COc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161444752 442000513 /nfs/dbraw/zinc/00/05/13/442000513.db2.gz SUIFQMWXLONDFL-GFCCVEGCSA-N 1 2 328.372 1.209 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(F)c1 ZINC000160364207 534210629 /nfs/dbraw/zinc/21/06/29/534210629.db2.gz WQIKFTCHNISZSD-ZDUSSCGKSA-N 1 2 330.425 1.381 20 70 EDIDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 ZINC000160315727 529122823 /nfs/dbraw/zinc/12/28/23/529122823.db2.gz JEBCIRPKQZGMGJ-UHFFFAOYSA-N 1 2 341.415 1.283 20 70 EDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)[C@@H](C)COC)CC2)s1 ZINC000159585838 529641361 /nfs/dbraw/zinc/64/13/61/529641361.db2.gz WZZKLYYVYJQBJP-ZDUSSCGKSA-N 1 2 346.518 1.793 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCC(C)C ZINC000160032156 225322703 /nfs/dbraw/zinc/32/27/03/225322703.db2.gz UZTSYVDLMXLSBE-UHFFFAOYSA-N 1 2 348.447 1.718 20 70 EDIDLO C[C@H](CNS(=O)(=O)Cc1cccc(F)c1)C[NH+]1CCOCC1 ZINC000160363431 225396007 /nfs/dbraw/zinc/39/60/07/225396007.db2.gz BUTLEYYCQKFXPB-CYBMUJFWSA-N 1 2 330.425 1.213 20 70 EDIDLO Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160237382 225367939 /nfs/dbraw/zinc/36/79/39/225367939.db2.gz AXRPYEAQRZHVTC-OAHLLOKOSA-N 1 2 326.400 1.300 20 70 EDIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000159450123 302917729 /nfs/dbraw/zinc/91/77/29/302917729.db2.gz CWLGBCUUYKAVHV-UHFFFAOYSA-N 1 2 345.374 1.351 20 70 EDIDLO COc1cccc([C@@H](O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000159529041 441820233 /nfs/dbraw/zinc/82/02/33/441820233.db2.gz JLRKFKLKFCZULH-GOSISDBHSA-N 1 2 341.411 1.909 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000159462720 441814765 /nfs/dbraw/zinc/81/47/65/441814765.db2.gz KNZGQPQANNGRCS-SHARSMKWSA-N 1 2 327.469 1.154 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000159462720 441814772 /nfs/dbraw/zinc/81/47/72/441814772.db2.gz KNZGQPQANNGRCS-SHARSMKWSA-N 1 2 327.469 1.154 20 70 EDIDLO COc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1OC(C)C ZINC000159672252 441829149 /nfs/dbraw/zinc/82/91/49/441829149.db2.gz UQDIFXKRAMGOSB-WMLDXEAASA-N 1 2 334.416 1.637 20 70 EDIDLO COc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1OC(C)C ZINC000159672252 441829156 /nfs/dbraw/zinc/82/91/56/441829156.db2.gz UQDIFXKRAMGOSB-WMLDXEAASA-N 1 2 334.416 1.637 20 70 EDIDLO O=C(NCCCO[C@@H]1CCOC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160693754 441910834 /nfs/dbraw/zinc/91/08/34/441910834.db2.gz CLYSEVJRUCKQGQ-QGZVFWFLSA-N 1 2 348.447 1.104 20 70 EDIDLO O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160862923 441929966 /nfs/dbraw/zinc/92/99/66/441929966.db2.gz FWTBDRDMJFGVDD-JTQLQIEISA-N 1 2 329.385 1.873 20 70 EDIDLO Cc1ccccc1CN(C)C(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161172717 441966597 /nfs/dbraw/zinc/96/65/97/441966597.db2.gz CXYWOXXVMCENLY-AWEZNQCLSA-N 1 2 349.456 1.690 20 70 EDIDLO CN(C)C(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161390645 441994093 /nfs/dbraw/zinc/99/40/93/441994093.db2.gz RRJCNRBHVKUPKK-MRXNPFEDSA-N 1 2 338.411 1.792 20 70 EDIDLO CC(=O)Nc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161407202 441996574 /nfs/dbraw/zinc/99/65/74/441996574.db2.gz JOMHEMKWYIJYTD-HNNXBMFYSA-N 1 2 326.400 1.763 20 70 EDIDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000160371019 534210754 /nfs/dbraw/zinc/21/07/54/534210754.db2.gz VQTAGJIGYJVDLO-LBPRGKRZSA-N 1 2 330.425 1.381 20 70 EDIDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)C[C@H](C)O1 ZINC000159562503 534304644 /nfs/dbraw/zinc/30/46/44/534304644.db2.gz SBOZVZJAPKNMHU-GQIGUUNPSA-N 1 2 344.455 1.796 20 70 EDIDLO C[C@@H]1CN(C(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)C[C@H](C)O1 ZINC000159562503 534304645 /nfs/dbraw/zinc/30/46/45/534304645.db2.gz SBOZVZJAPKNMHU-GQIGUUNPSA-N 1 2 344.455 1.796 20 70 EDIDLO O=C(NCCc1nccs1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159844788 534508549 /nfs/dbraw/zinc/50/85/49/534508549.db2.gz PFSFOKVBVNZCQE-UHFFFAOYSA-N 1 2 331.445 1.608 20 70 EDIDLO CC(C)S(=O)(=O)Cc1cccc(NC(=O)[C@H]2CSC[NH2+]2)c1 ZINC000159831149 528302966 /nfs/dbraw/zinc/30/29/66/528302966.db2.gz IOTSBCYMQNNYNQ-CYBMUJFWSA-N 1 2 328.459 1.611 20 70 EDIDLO CN(C)c1cccc(-c2nnc(SCCn3cc[nH+]c3)n2N)c1 ZINC000160143862 529786629 /nfs/dbraw/zinc/78/66/29/529786629.db2.gz AIYHUJIVOSYNBF-UHFFFAOYSA-N 1 2 329.433 1.714 20 70 EDIDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161194915 298189050 /nfs/dbraw/zinc/18/90/50/298189050.db2.gz CGBAFJIKMWKOBI-SYQHCUMBSA-N 1 2 341.477 1.664 20 70 EDIDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnn(C3CCOCC3)c1C)C2 ZINC000160172483 441863895 /nfs/dbraw/zinc/86/38/95/441863895.db2.gz VOOHMSAWXJINGM-CQSZACIVSA-N 1 2 343.431 1.793 20 70 EDIDLO OCCC[N@H+](CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159609175 441824833 /nfs/dbraw/zinc/82/48/33/441824833.db2.gz HVJAZZKUXVJKEU-UHFFFAOYSA-N 1 2 328.210 1.502 20 70 EDIDLO OCCC[N@@H+](CCO)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159609175 441824838 /nfs/dbraw/zinc/82/48/38/441824838.db2.gz HVJAZZKUXVJKEU-UHFFFAOYSA-N 1 2 328.210 1.502 20 70 EDIDLO O=C(c1ncn(-c2ccccc2)n1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000159989912 441852564 /nfs/dbraw/zinc/85/25/64/441852564.db2.gz RHIPEVMSPGZWTG-INIZCTEOSA-N 1 2 335.367 1.956 20 70 EDIDLO Cc1n[nH]cc1C[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000160626177 441903657 /nfs/dbraw/zinc/90/36/57/441903657.db2.gz MAOHTLOSSPVPJQ-UHFFFAOYSA-N 1 2 332.379 1.580 20 70 EDIDLO CCO[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C12CCCCC2 ZINC000161023444 441947795 /nfs/dbraw/zinc/94/77/95/441947795.db2.gz OQSFDJPOWWEUQA-CABCVRRESA-N 1 2 337.464 1.005 20 70 EDIDLO COC[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C1CC1 ZINC000161170207 441965691 /nfs/dbraw/zinc/96/56/91/441965691.db2.gz XQLLTZJDCRUCHW-HNNXBMFYSA-N 1 2 334.420 1.773 20 70 EDIDLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000161321922 441985100 /nfs/dbraw/zinc/98/51/00/441985100.db2.gz JQYSHGVWQDLSTR-HNNXBMFYSA-N 1 2 336.399 1.665 20 70 EDIDLO COC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161328871 441986356 /nfs/dbraw/zinc/98/63/56/441986356.db2.gz DIFAWRJLVCGBGB-HNNXBMFYSA-N 1 2 325.368 1.877 20 70 EDIDLO O=S(=O)(Cc1noc2ccccc21)N1CC[NH+](C2CCC2)CC1 ZINC000218386731 443057918 /nfs/dbraw/zinc/05/79/18/443057918.db2.gz VMLCFMTXBWCOPF-UHFFFAOYSA-N 1 2 335.429 1.828 20 70 EDIDLO NC(=O)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159442244 534481679 /nfs/dbraw/zinc/48/16/79/534481679.db2.gz ZTCDDULALTZMHK-HOTGVXAUSA-N 1 2 330.384 1.703 20 70 EDIDLO NC(=O)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000159442244 534481685 /nfs/dbraw/zinc/48/16/85/534481685.db2.gz ZTCDDULALTZMHK-HOTGVXAUSA-N 1 2 330.384 1.703 20 70 EDIDLO CCOc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159814877 528648367 /nfs/dbraw/zinc/64/83/67/528648367.db2.gz RJAGEFWWERQIFX-UHFFFAOYSA-N 1 2 338.473 1.767 20 70 EDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCc2n[nH]cc2C1 ZINC000159781590 540013830 /nfs/dbraw/zinc/01/38/30/540013830.db2.gz YECNBWMRAPRLFZ-ZDUSSCGKSA-N 1 2 328.420 1.342 20 70 EDIDLO C[C@@H]1CCCN(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159439362 225219355 /nfs/dbraw/zinc/21/93/55/225219355.db2.gz ZLGZPQGSHDGSFF-OAHLLOKOSA-N 1 2 347.525 1.253 20 70 EDIDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161432570 302926584 /nfs/dbraw/zinc/92/65/84/302926584.db2.gz HGKKIKBZPDVWJG-GFCCVEGCSA-N 1 2 339.358 1.103 20 70 EDIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1cccnc1 ZINC000159777854 441836667 /nfs/dbraw/zinc/83/66/67/441836667.db2.gz UAVZRIIDWDTWJO-MRXNPFEDSA-N 1 2 337.489 1.788 20 70 EDIDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000159847041 441841615 /nfs/dbraw/zinc/84/16/15/441841615.db2.gz JNDLOQLLLWSQNB-MRXNPFEDSA-N 1 2 334.464 1.049 20 70 EDIDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C)cn2)CC1 ZINC000159847041 441841621 /nfs/dbraw/zinc/84/16/21/441841621.db2.gz JNDLOQLLLWSQNB-MRXNPFEDSA-N 1 2 334.464 1.049 20 70 EDIDLO Cc1conc1NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000160344472 441874000 /nfs/dbraw/zinc/87/40/00/441874000.db2.gz WRHJOJWJTCMDQQ-UHFFFAOYSA-N 1 2 334.401 1.327 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCC1(c2ccccc2)CC1 ZINC000159978226 441851484 /nfs/dbraw/zinc/85/14/84/441851484.db2.gz ADSWGBSZECZAIM-UHFFFAOYSA-N 1 2 334.485 1.900 20 70 EDIDLO CCC1(CC)[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1OC ZINC000160598439 441900602 /nfs/dbraw/zinc/90/06/02/441900602.db2.gz KBHHLKVLGGRRCA-KKUMJFAQSA-N 1 2 327.469 1.600 20 70 EDIDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(C)c1F ZINC000160821553 441924845 /nfs/dbraw/zinc/92/48/45/441924845.db2.gz OGWKGVXRABXISL-UHFFFAOYSA-N 1 2 344.452 1.520 20 70 EDIDLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1F ZINC000160395456 441878289 /nfs/dbraw/zinc/87/82/89/441878289.db2.gz JCSUBSPECNXYGF-GFCCVEGCSA-N 1 2 346.424 1.081 20 70 EDIDLO CCc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160413608 441878976 /nfs/dbraw/zinc/87/89/76/441878976.db2.gz SEJSPXHDWHDIKT-AWEZNQCLSA-N 1 2 326.462 1.496 20 70 EDIDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000160833004 441926076 /nfs/dbraw/zinc/92/60/76/441926076.db2.gz WRQZGZSDHIPCEU-UHFFFAOYSA-N 1 2 342.461 1.081 20 70 EDIDLO CN(Cc1ccccc1F)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161197261 441970687 /nfs/dbraw/zinc/97/06/87/441970687.db2.gz RRZMMDPOWANEOO-UHFFFAOYSA-N 1 2 339.392 1.133 20 70 EDIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000160982137 441944195 /nfs/dbraw/zinc/94/41/95/441944195.db2.gz CUQRHMPYMYQVDU-QGZVFWFLSA-N 1 2 340.427 1.900 20 70 EDIDLO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161070549 441952495 /nfs/dbraw/zinc/95/24/95/441952495.db2.gz ILRJJJKCGANONU-CQSZACIVSA-N 1 2 344.390 1.060 20 70 EDIDLO COC(=O)CCN(Cc1ccncc1)c1[nH+]cnc2c1cnn2C ZINC000161361890 441991096 /nfs/dbraw/zinc/99/10/96/441991096.db2.gz UDRBVQODGQFGBS-UHFFFAOYSA-N 1 2 326.360 1.328 20 70 EDIDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1=O ZINC000161314700 441984328 /nfs/dbraw/zinc/98/43/28/441984328.db2.gz VENAZFFLFBALKV-UHFFFAOYSA-N 1 2 346.818 1.392 20 70 EDIDLO CCC[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC000159546694 527778231 /nfs/dbraw/zinc/77/82/31/527778231.db2.gz DAQVCSRQLVOPDG-MRXNPFEDSA-N 1 2 348.447 1.629 20 70 EDIDLO CCOC(=O)CN1CC[NH+](Cc2c(CC)nn(C)c2Cl)CC1 ZINC000216935003 535680427 /nfs/dbraw/zinc/68/04/27/535680427.db2.gz KPANLVMKUNDZHL-UHFFFAOYSA-N 1 2 328.844 1.317 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000160126597 441861203 /nfs/dbraw/zinc/86/12/03/441861203.db2.gz DSORTOXBXFFYLE-UHFFFAOYSA-N 1 2 333.735 1.539 20 70 EDIDLO O=C(NCCOC[C@H]1CCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160239095 441868451 /nfs/dbraw/zinc/86/84/51/441868451.db2.gz UYXBYSPESCHUPV-QGZVFWFLSA-N 1 2 348.447 1.104 20 70 EDIDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCCn3cccc3)ccc2n1C ZINC000160239569 441868536 /nfs/dbraw/zinc/86/85/36/441868536.db2.gz MQACFYPXIXSOEB-UHFFFAOYSA-N 1 2 325.372 1.438 20 70 EDIDLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000159606440 441824426 /nfs/dbraw/zinc/82/44/26/441824426.db2.gz GULBWOZKTFRDDK-RDJZCZTQSA-N 1 2 346.452 1.538 20 70 EDIDLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)COCc1cccs1 ZINC000159606440 441824430 /nfs/dbraw/zinc/82/44/30/441824430.db2.gz GULBWOZKTFRDDK-RDJZCZTQSA-N 1 2 346.452 1.538 20 70 EDIDLO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)CC(C)(CO)CO ZINC000160324344 441873067 /nfs/dbraw/zinc/87/30/67/441873067.db2.gz RPYGSFNFGLEAEE-UHFFFAOYSA-N 1 2 342.237 1.748 20 70 EDIDLO C[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)CC(C)(CO)CO ZINC000160324344 441873074 /nfs/dbraw/zinc/87/30/74/441873074.db2.gz RPYGSFNFGLEAEE-UHFFFAOYSA-N 1 2 342.237 1.748 20 70 EDIDLO C[N@H+](Cc1nc2ccc(Br)cc2[nH]1)CC(C)(CO)CO ZINC000160324344 441873075 /nfs/dbraw/zinc/87/30/75/441873075.db2.gz RPYGSFNFGLEAEE-UHFFFAOYSA-N 1 2 342.237 1.748 20 70 EDIDLO C[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)CC(C)(CO)CO ZINC000160324344 441873082 /nfs/dbraw/zinc/87/30/82/441873082.db2.gz RPYGSFNFGLEAEE-UHFFFAOYSA-N 1 2 342.237 1.748 20 70 EDIDLO CCOc1cc(/C=C/C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1OC ZINC000159720797 441832424 /nfs/dbraw/zinc/83/24/24/441832424.db2.gz DJBBCOIJZCXELX-UCSQHBGMSA-N 1 2 346.427 1.649 20 70 EDIDLO CCOc1cc(/C=C/C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1OC ZINC000159720797 441832429 /nfs/dbraw/zinc/83/24/29/441832429.db2.gz DJBBCOIJZCXELX-UCSQHBGMSA-N 1 2 346.427 1.649 20 70 EDIDLO CCCCN(Cc1[nH+]ccn1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000160741217 441916079 /nfs/dbraw/zinc/91/60/79/441916079.db2.gz PAQILTAERNXYPG-UHFFFAOYSA-N 1 2 348.451 1.459 20 70 EDIDLO CSc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000160818227 441924564 /nfs/dbraw/zinc/92/45/64/441924564.db2.gz GNXVALPFXWYPNA-UHFFFAOYSA-N 1 2 344.502 1.486 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(C)CC1 ZINC000160488037 441888577 /nfs/dbraw/zinc/88/85/77/441888577.db2.gz JVCUMNZJONPLQX-UHFFFAOYSA-N 1 2 346.431 1.424 20 70 EDIDLO C[C@@H](C(=O)N(C)Cc1ccccc1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161191269 441969927 /nfs/dbraw/zinc/96/99/27/441969927.db2.gz ZKEWELUBAYBPBC-ZDUSSCGKSA-N 1 2 335.429 1.382 20 70 EDIDLO Cc1onc(-c2ccncc2)c1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161248415 441977652 /nfs/dbraw/zinc/97/76/52/441977652.db2.gz VRLPMTUXWNBJGU-UHFFFAOYSA-N 1 2 330.388 1.449 20 70 EDIDLO COCCn1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000160860240 441928792 /nfs/dbraw/zinc/92/87/92/441928792.db2.gz WNDQCXRSDMZINW-AWEZNQCLSA-N 1 2 344.419 1.715 20 70 EDIDLO CCOC(=O)C1CCN(C(=O)C[N@H+](CC)Cc2cnn(C)c2)CC1 ZINC000161082576 441954039 /nfs/dbraw/zinc/95/40/39/441954039.db2.gz SWKJBKQNQJMVTO-UHFFFAOYSA-N 1 2 336.436 1.044 20 70 EDIDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](CC)Cc2cnn(C)c2)CC1 ZINC000161082576 441954043 /nfs/dbraw/zinc/95/40/43/441954043.db2.gz SWKJBKQNQJMVTO-UHFFFAOYSA-N 1 2 336.436 1.044 20 70 EDIDLO O=C(CC1CCCCC1)NCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161110146 441957972 /nfs/dbraw/zinc/95/79/72/441957972.db2.gz JCQXVSALADRRQG-HNNXBMFYSA-N 1 2 332.448 1.648 20 70 EDIDLO C[C@@H](NC(=O)NCCc1ccc(Cl)nc1)[C@@H](C)[NH+]1CCOCC1 ZINC000161115417 441959521 /nfs/dbraw/zinc/95/95/21/441959521.db2.gz NAQRUSOIDBXDPJ-CHWSQXEVSA-N 1 2 340.855 1.686 20 70 EDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159796057 533836811 /nfs/dbraw/zinc/83/68/11/533836811.db2.gz VDTSIWZUKOICAL-AWEZNQCLSA-N 1 2 334.439 1.529 20 70 EDIDLO CCCOC(=O)[C@H](C)[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351864 528578118 /nfs/dbraw/zinc/57/81/18/528578118.db2.gz DCGMQSCPCIGNNP-RYUDHWBXSA-N 1 2 328.434 1.669 20 70 EDIDLO CCCOC(=O)[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000160351864 528578123 /nfs/dbraw/zinc/57/81/23/528578123.db2.gz DCGMQSCPCIGNNP-RYUDHWBXSA-N 1 2 328.434 1.669 20 70 EDIDLO O=C(CCC(=O)N1CC[NH+](Cc2ccccn2)CC1)NC1CCCC1 ZINC000160937515 540029600 /nfs/dbraw/zinc/02/96/00/540029600.db2.gz OXRBLLXAGWKZJC-UHFFFAOYSA-N 1 2 344.459 1.565 20 70 EDIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCCS(C)(=O)=O ZINC000161170283 540031258 /nfs/dbraw/zinc/03/12/58/540031258.db2.gz AFMIJKCSOAKYRN-UHFFFAOYSA-N 1 2 326.462 1.999 20 70 EDIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCCS(C)(=O)=O ZINC000161170283 540031263 /nfs/dbraw/zinc/03/12/63/540031263.db2.gz AFMIJKCSOAKYRN-UHFFFAOYSA-N 1 2 326.462 1.999 20 70 EDIDLO CN(C)C(=O)Cc1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159918821 225301441 /nfs/dbraw/zinc/30/14/41/225301441.db2.gz QEBDOVZNBIXMOY-UHFFFAOYSA-N 1 2 329.491 1.339 20 70 EDIDLO C[C@@H]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2[nH+]ccn2C)[C@@H]1C ZINC000161183887 225568536 /nfs/dbraw/zinc/56/85/36/225568536.db2.gz YCBPIYGQAYSLSQ-UPJWGTAASA-N 1 2 327.450 1.276 20 70 EDIDLO COCCOc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160092002 441858461 /nfs/dbraw/zinc/85/84/61/441858461.db2.gz XSOVMLFHZRODDG-OAHLLOKOSA-N 1 2 329.400 1.787 20 70 EDIDLO COc1ccc(CCNC(=O)C[N@H+](C)Cc2cccnc2)cc1OC ZINC000160264762 441870049 /nfs/dbraw/zinc/87/00/49/441870049.db2.gz NYKPZDGULLTZKH-UHFFFAOYSA-N 1 2 343.427 1.890 20 70 EDIDLO COc1ccc(CCNC(=O)C[N@@H+](C)Cc2cccnc2)cc1OC ZINC000160264762 441870055 /nfs/dbraw/zinc/87/00/55/441870055.db2.gz NYKPZDGULLTZKH-UHFFFAOYSA-N 1 2 343.427 1.890 20 70 EDIDLO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000159578234 441823264 /nfs/dbraw/zinc/82/32/64/441823264.db2.gz OCSVYUFEXBSFDO-ZDUSSCGKSA-N 1 2 344.502 1.815 20 70 EDIDLO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 ZINC000159578234 441823268 /nfs/dbraw/zinc/82/32/68/441823268.db2.gz OCSVYUFEXBSFDO-ZDUSSCGKSA-N 1 2 344.502 1.815 20 70 EDIDLO CCn1cc(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000159944994 441849029 /nfs/dbraw/zinc/84/90/29/441849029.db2.gz JMKGGOVCQFEDAU-UHFFFAOYSA-N 1 2 341.346 1.727 20 70 EDIDLO CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159973837 441850661 /nfs/dbraw/zinc/85/06/61/441850661.db2.gz ADMXKPCQODOUKZ-OAHLLOKOSA-N 1 2 326.400 1.512 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000160603794 441901287 /nfs/dbraw/zinc/90/12/87/441901287.db2.gz BQZGUQOJCREMTH-GFCCVEGCSA-N 1 2 339.386 1.753 20 70 EDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2[nH]ccc21 ZINC000160610260 441901678 /nfs/dbraw/zinc/90/16/78/441901678.db2.gz SEKRCDIDNXSRSH-AWEZNQCLSA-N 1 2 349.456 1.293 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc2[nH]ccc21 ZINC000160610260 441901683 /nfs/dbraw/zinc/90/16/83/441901683.db2.gz SEKRCDIDNXSRSH-AWEZNQCLSA-N 1 2 349.456 1.293 20 70 EDIDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000160551285 441896896 /nfs/dbraw/zinc/89/68/96/441896896.db2.gz GNSVXMNSGDMANN-HZPDHXFCSA-N 1 2 345.447 1.574 20 70 EDIDLO CCn1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1=O ZINC000161218627 441973706 /nfs/dbraw/zinc/97/37/06/441973706.db2.gz IDRPBDIBPPWVRE-AWEZNQCLSA-N 1 2 327.388 1.664 20 70 EDIDLO COCC(C)(C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160929112 441937029 /nfs/dbraw/zinc/93/70/29/441937029.db2.gz WDEZDSXNXAGVLC-UHFFFAOYSA-N 1 2 330.432 1.651 20 70 EDIDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000161110643 441957410 /nfs/dbraw/zinc/95/74/10/441957410.db2.gz YUVUQSSZENDXTR-AWEZNQCLSA-N 1 2 325.390 1.856 20 70 EDIDLO COCCC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000161117782 441959245 /nfs/dbraw/zinc/95/92/45/441959245.db2.gz GLGSPGBTHSXUNY-UHFFFAOYSA-N 1 2 332.448 1.726 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1cccc(F)c1 ZINC000161188185 441967914 /nfs/dbraw/zinc/96/79/14/441967914.db2.gz VXYIVCUKJZICIM-UHFFFAOYSA-N 1 2 325.365 1.503 20 70 EDIDLO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000161456749 442002301 /nfs/dbraw/zinc/00/23/01/442002301.db2.gz WDKRHUPMJOYCTA-CHWSQXEVSA-N 1 2 337.851 1.722 20 70 EDIDLO CCCC(O)(CCC)CC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000161468507 442002807 /nfs/dbraw/zinc/00/28/07/442002807.db2.gz XHCHECQMYDEJDL-KRWDZBQOSA-N 1 2 339.524 1.946 20 70 EDIDLO CCOC(=O)C[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161017187 528855533 /nfs/dbraw/zinc/85/55/33/528855533.db2.gz RHSUYEYMJBZZLO-OAHLLOKOSA-N 1 2 348.447 1.498 20 70 EDIDLO C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C1CCC1 ZINC000161424609 540033859 /nfs/dbraw/zinc/03/38/59/540033859.db2.gz QPBDWPSSHGCJRW-CYBMUJFWSA-N 1 2 338.473 1.940 20 70 EDIDLO COc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1OCC(C)C ZINC000159673630 138637906 /nfs/dbraw/zinc/63/79/06/138637906.db2.gz VSVKFRRTIPZOQG-MAUKXSAKSA-N 1 2 348.443 1.885 20 70 EDIDLO COc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1OCC(C)C ZINC000159673630 138637907 /nfs/dbraw/zinc/63/79/07/138637907.db2.gz VSVKFRRTIPZOQG-MAUKXSAKSA-N 1 2 348.443 1.885 20 70 EDIDLO CCN(C(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C)C1CCCCC1 ZINC000161200659 284199654 /nfs/dbraw/zinc/19/96/54/284199654.db2.gz DCASRNFPLWWSEQ-CYBMUJFWSA-N 1 2 341.477 1.905 20 70 EDIDLO COC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160131132 533199691 /nfs/dbraw/zinc/19/96/91/533199691.db2.gz SWASLYHTMDYDIP-HNNXBMFYSA-N 1 2 348.443 1.724 20 70 EDIDLO COC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000160131132 533199694 /nfs/dbraw/zinc/19/96/94/533199694.db2.gz SWASLYHTMDYDIP-HNNXBMFYSA-N 1 2 348.443 1.724 20 70 EDIDLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159438464 225216724 /nfs/dbraw/zinc/21/67/24/225216724.db2.gz VRBKYWCTUBQFHG-UHFFFAOYSA-N 1 2 340.489 1.974 20 70 EDIDLO COc1cc(C(=O)N2CC[NH+](CCn3ccnc3)CC2)ccc1C ZINC000159759271 225272319 /nfs/dbraw/zinc/27/23/19/225272319.db2.gz XQSVQSUPOZAPHP-UHFFFAOYSA-N 1 2 328.416 1.658 20 70 EDIDLO COc1cc(C(=O)N2CCN(CCn3cc[nH+]c3)CC2)ccc1C ZINC000159759271 225272322 /nfs/dbraw/zinc/27/23/22/225272322.db2.gz XQSVQSUPOZAPHP-UHFFFAOYSA-N 1 2 328.416 1.658 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000159798689 225279544 /nfs/dbraw/zinc/27/95/44/225279544.db2.gz KLSBAZDHTTVSSC-MJGOQNOKSA-N 1 2 347.459 1.444 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000159798689 225279548 /nfs/dbraw/zinc/27/95/48/225279548.db2.gz KLSBAZDHTTVSSC-MJGOQNOKSA-N 1 2 347.459 1.444 20 70 EDIDLO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160374079 225399411 /nfs/dbraw/zinc/39/94/11/225399411.db2.gz NUWKEYPYBUZPIP-LBPRGKRZSA-N 1 2 346.880 1.895 20 70 EDIDLO COCCOc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159853626 441842791 /nfs/dbraw/zinc/84/27/91/441842791.db2.gz QKNHHNRQGQKNAQ-OAHLLOKOSA-N 1 2 329.400 1.787 20 70 EDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1sccc1C ZINC000160603508 441901122 /nfs/dbraw/zinc/90/11/22/441901122.db2.gz RQQHAVXBKHZPID-LBPRGKRZSA-N 1 2 330.475 1.182 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1sccc1C ZINC000160603508 441901132 /nfs/dbraw/zinc/90/11/32/441901132.db2.gz RQQHAVXBKHZPID-LBPRGKRZSA-N 1 2 330.475 1.182 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000160583606 441898782 /nfs/dbraw/zinc/89/87/82/441898782.db2.gz FYLNYTBECFDSMI-LSDHHAIUSA-N 1 2 348.447 1.851 20 70 EDIDLO NC(=O)[C@H]1CC[C@@H](CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)O1 ZINC000160902200 441933472 /nfs/dbraw/zinc/93/34/72/441933472.db2.gz LEFUZTWALXMSCF-ABUMPJRPSA-N 1 2 340.383 1.035 20 70 EDIDLO CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160992404 441944247 /nfs/dbraw/zinc/94/42/47/441944247.db2.gz PRGJUANNVJOGSX-QGZVFWFLSA-N 1 2 331.416 1.468 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161085077 441955333 /nfs/dbraw/zinc/95/53/33/441955333.db2.gz OKULPEJPKGHTKT-GFCCVEGCSA-N 1 2 329.404 1.368 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161085077 441955337 /nfs/dbraw/zinc/95/53/37/441955337.db2.gz OKULPEJPKGHTKT-GFCCVEGCSA-N 1 2 329.404 1.368 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161084944 441955415 /nfs/dbraw/zinc/95/54/15/441955415.db2.gz OKULPEJPKGHTKT-LBPRGKRZSA-N 1 2 329.404 1.368 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000161084944 441955420 /nfs/dbraw/zinc/95/54/20/441955420.db2.gz OKULPEJPKGHTKT-LBPRGKRZSA-N 1 2 329.404 1.368 20 70 EDIDLO C[C@H](c1cccs1)[N@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161417923 441997955 /nfs/dbraw/zinc/99/79/55/441997955.db2.gz LTQKQRXZWLQIOE-SECBINFHSA-N 1 2 333.417 1.215 20 70 EDIDLO C[C@H](c1cccs1)[N@@H+](C)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000161417923 441997956 /nfs/dbraw/zinc/99/79/56/441997956.db2.gz LTQKQRXZWLQIOE-SECBINFHSA-N 1 2 333.417 1.215 20 70 EDIDLO C[C@@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccncc1 ZINC000160068515 540019212 /nfs/dbraw/zinc/01/92/12/540019212.db2.gz XDQGMBIFGMLSTE-HNNXBMFYSA-N 1 2 327.432 1.653 20 70 EDIDLO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000159798824 225280086 /nfs/dbraw/zinc/28/00/86/225280086.db2.gz KLSBAZDHTTVSSC-IEBWSBKVSA-N 1 2 347.459 1.444 20 70 EDIDLO C[C@@]1(O)CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000159798824 225280089 /nfs/dbraw/zinc/28/00/89/225280089.db2.gz KLSBAZDHTTVSSC-IEBWSBKVSA-N 1 2 347.459 1.444 20 70 EDIDLO Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000160170179 225353388 /nfs/dbraw/zinc/35/33/88/225353388.db2.gz PAYHVNPRDLDBKV-KRWDZBQOSA-N 1 2 337.427 1.713 20 70 EDIDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159418896 298122801 /nfs/dbraw/zinc/12/28/01/298122801.db2.gz DVTWTGDQJRSBJU-BFUOFWGJSA-N 1 2 343.427 1.537 20 70 EDIDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159418896 298122805 /nfs/dbraw/zinc/12/28/05/298122805.db2.gz DVTWTGDQJRSBJU-BFUOFWGJSA-N 1 2 343.427 1.537 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159702521 301019058 /nfs/dbraw/zinc/01/90/58/301019058.db2.gz VEGVJWHXAGQUAE-LSDHHAIUSA-N 1 2 327.384 1.404 20 70 EDIDLO Cc1c2ccccc2[nH]c(=O)c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159702521 301019060 /nfs/dbraw/zinc/01/90/60/301019060.db2.gz VEGVJWHXAGQUAE-LSDHHAIUSA-N 1 2 327.384 1.404 20 70 EDIDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000160222908 441866810 /nfs/dbraw/zinc/86/68/10/441866810.db2.gz VZNYDCVEXVERQG-PXNSSMCTSA-N 1 2 343.471 1.912 20 70 EDIDLO Cn1cnc2cc(C(=O)NC(C)(C)c3noc(C[NH+](C)C)n3)cnc21 ZINC000160317550 441872586 /nfs/dbraw/zinc/87/25/86/441872586.db2.gz DFAVYKWEKWUJLY-UHFFFAOYSA-N 1 2 343.391 1.078 20 70 EDIDLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCCCO2)CC1)Nc1ccccc1 ZINC000160686467 441909528 /nfs/dbraw/zinc/90/95/28/441909528.db2.gz RGABJPAIFGKDMB-QGZVFWFLSA-N 1 2 345.443 1.775 20 70 EDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000160747767 441916756 /nfs/dbraw/zinc/91/67/56/441916756.db2.gz NZBOSEHPJNPTOW-OAHLLOKOSA-N 1 2 332.448 1.724 20 70 EDIDLO NC(=O)NC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000160776073 441919551 /nfs/dbraw/zinc/91/95/51/441919551.db2.gz UJZZJUWDFQKVDD-UHFFFAOYSA-N 1 2 331.420 1.279 20 70 EDIDLO C[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161195276 441970308 /nfs/dbraw/zinc/97/03/08/441970308.db2.gz CGBAFJIKMWKOBI-REWJHTLYSA-N 1 2 341.477 1.664 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000161197757 441971479 /nfs/dbraw/zinc/97/14/79/441971479.db2.gz JDTPMMSLBJKPJZ-UONOGXRCSA-N 1 2 339.461 1.516 20 70 EDIDLO Cc1cc(N[C@@H](CC(N)=O)C2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000161260736 441978617 /nfs/dbraw/zinc/97/86/17/441978617.db2.gz SYIFDYPPVRSMPE-HNNXBMFYSA-N 1 2 341.415 1.930 20 70 EDIDLO COC(=O)C[N@@H+]1CCCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000161097768 441956551 /nfs/dbraw/zinc/95/65/51/441956551.db2.gz SASVIBZMAOWMAK-UHFFFAOYSA-N 1 2 336.417 1.479 20 70 EDIDLO COC(=O)C[N@H+]1CCCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000161097768 441956552 /nfs/dbraw/zinc/95/65/52/441956552.db2.gz SASVIBZMAOWMAK-UHFFFAOYSA-N 1 2 336.417 1.479 20 70 EDIDLO CC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cnn(C)c1 ZINC000161101182 441956699 /nfs/dbraw/zinc/95/66/99/441956699.db2.gz JAYPMZSMTLCCJM-OAHLLOKOSA-N 1 2 344.415 1.198 20 70 EDIDLO CC[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)Cc1cnn(C)c1 ZINC000161101182 441956706 /nfs/dbraw/zinc/95/67/06/441956706.db2.gz JAYPMZSMTLCCJM-OAHLLOKOSA-N 1 2 344.415 1.198 20 70 EDIDLO C[C@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161170014 441965894 /nfs/dbraw/zinc/96/58/94/441965894.db2.gz AJNNJMHOQFEHJU-WMZOPIPTSA-N 1 2 330.476 1.894 20 70 EDIDLO COc1cccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000161362351 441991592 /nfs/dbraw/zinc/99/15/92/441991592.db2.gz JIFRAPMNLWCVBO-OAHLLOKOSA-N 1 2 341.415 1.953 20 70 EDIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(CCOC)CC2)CC1 ZINC000161461285 442001694 /nfs/dbraw/zinc/00/16/94/442001694.db2.gz JITATBVPZYBMBJ-UHFFFAOYSA-N 1 2 339.480 1.206 20 70 EDIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(CCOC)CC2)CC1 ZINC000161461285 442001699 /nfs/dbraw/zinc/00/16/99/442001699.db2.gz JITATBVPZYBMBJ-UHFFFAOYSA-N 1 2 339.480 1.206 20 70 EDIDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc4nc[nH]c43)CC2)S1 ZINC000159695911 534004765 /nfs/dbraw/zinc/00/47/65/534004765.db2.gz KLYCGAYDHMYPCF-NSHDSACASA-N 1 2 329.429 1.812 20 70 EDIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000159556237 534354747 /nfs/dbraw/zinc/35/47/47/534354747.db2.gz GTMLYOHUBGHJFP-QGZVFWFLSA-N 1 2 329.400 1.669 20 70 EDIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1F ZINC000159373286 534870991 /nfs/dbraw/zinc/87/09/91/534870991.db2.gz KYPQWMXRKNMYIJ-LBPRGKRZSA-N 1 2 339.367 1.917 20 70 EDIDLO C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccccc1-n1cccn1 ZINC000160269671 296080073 /nfs/dbraw/zinc/08/00/73/296080073.db2.gz YQXUTLWODRDIQT-OAHLLOKOSA-N 1 2 343.431 1.565 20 70 EDIDLO C[C@@]1(O)CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000160365981 225396928 /nfs/dbraw/zinc/39/69/28/225396928.db2.gz HOKJFNYGKZNCAQ-PKOBYXMFSA-N 1 2 347.459 1.616 20 70 EDIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000159546057 441819350 /nfs/dbraw/zinc/81/93/50/441819350.db2.gz PRPWGVHKFPLNHH-HNNXBMFYSA-N 1 2 340.431 1.762 20 70 EDIDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159418749 441812092 /nfs/dbraw/zinc/81/20/92/441812092.db2.gz DVTWTGDQJRSBJU-ORAYPTAESA-N 1 2 343.427 1.537 20 70 EDIDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159418749 441812099 /nfs/dbraw/zinc/81/20/99/441812099.db2.gz DVTWTGDQJRSBJU-ORAYPTAESA-N 1 2 343.427 1.537 20 70 EDIDLO COc1c(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)nn1C ZINC000159743555 441834303 /nfs/dbraw/zinc/83/43/03/441834303.db2.gz MWAZYHAXUZQRBH-MRXNPFEDSA-N 1 2 346.406 1.986 20 70 EDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCC(Cc2ccccc2)CC1 ZINC000160644305 441904899 /nfs/dbraw/zinc/90/48/99/441904899.db2.gz XURQRAIGUZOECP-UHFFFAOYSA-N 1 2 344.455 1.917 20 70 EDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCC(Cc2ccccc2)CC1 ZINC000160644305 441904902 /nfs/dbraw/zinc/90/49/02/441904902.db2.gz XURQRAIGUZOECP-UHFFFAOYSA-N 1 2 344.455 1.917 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160824753 441925244 /nfs/dbraw/zinc/92/52/44/441925244.db2.gz IOSYMQWNXKMSDH-QZTJIDSGSA-N 1 2 347.459 1.880 20 70 EDIDLO CC(C)COC(=O)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000160536707 441894076 /nfs/dbraw/zinc/89/40/76/441894076.db2.gz OKYRLLSBRJRNKF-OAHLLOKOSA-N 1 2 340.420 1.567 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccc(F)cc1 ZINC000161199711 441970786 /nfs/dbraw/zinc/97/07/86/441970786.db2.gz SCGLKQDDYKUGRE-UHFFFAOYSA-N 1 2 325.365 1.503 20 70 EDIDLO CCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161050681 441951504 /nfs/dbraw/zinc/95/15/04/441951504.db2.gz XNMWIEDHDNHTKM-HUUCEWRRSA-N 1 2 332.448 1.600 20 70 EDIDLO CC[C@@H](C)NC(=O)CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159450655 529358886 /nfs/dbraw/zinc/35/88/86/529358886.db2.gz QKPYAWXVXGOSJI-OAHLLOKOSA-N 1 2 347.463 1.214 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2)cs1 ZINC000159705216 441830330 /nfs/dbraw/zinc/83/03/30/441830330.db2.gz RHMSCZWCDBIDKO-GJZGRUSLSA-N 1 2 332.429 1.602 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)cs1 ZINC000159705216 441830335 /nfs/dbraw/zinc/83/03/35/441830335.db2.gz RHMSCZWCDBIDKO-GJZGRUSLSA-N 1 2 332.429 1.602 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159724713 441831717 /nfs/dbraw/zinc/83/17/17/441831717.db2.gz SYZUVBSCFVADTM-ZIAGYGMSSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1onc(-c2ccccn2)c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159724713 441831723 /nfs/dbraw/zinc/83/17/23/441831723.db2.gz SYZUVBSCFVADTM-ZIAGYGMSSA-N 1 2 328.372 1.200 20 70 EDIDLO Cn1cc[nH+]c1CN1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000160734486 441914505 /nfs/dbraw/zinc/91/45/05/441914505.db2.gz HOQDWRLLWCMQLM-UHFFFAOYSA-N 1 2 334.445 1.363 20 70 EDIDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161185012 441968852 /nfs/dbraw/zinc/96/88/52/441968852.db2.gz SQJOPSAIDGIIFL-KRWDZBQOSA-N 1 2 330.476 1.846 20 70 EDIDLO C[C@@H](C(=O)N1CCC(C)CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161185012 441968856 /nfs/dbraw/zinc/96/88/56/441968856.db2.gz SQJOPSAIDGIIFL-KRWDZBQOSA-N 1 2 330.476 1.846 20 70 EDIDLO COc1cccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1OC ZINC000160874314 441931352 /nfs/dbraw/zinc/93/13/52/441931352.db2.gz YAOWAJVHEAUVRE-UHFFFAOYSA-N 1 2 344.415 1.395 20 70 EDIDLO O=C(NCc1ncccc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160892457 441932296 /nfs/dbraw/zinc/93/22/96/441932296.db2.gz HGJMSGSODQZWQX-UHFFFAOYSA-N 1 2 329.379 1.643 20 70 EDIDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000160959307 441941209 /nfs/dbraw/zinc/94/12/09/441941209.db2.gz JIUFYKLFLDAVAY-MRXNPFEDSA-N 1 2 334.416 1.527 20 70 EDIDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc(=O)n3C)c2)CC1 ZINC000161047033 441950306 /nfs/dbraw/zinc/95/03/06/441950306.db2.gz POJUWNIUPMDSHZ-UHFFFAOYSA-N 1 2 340.427 1.385 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000160317262 533860961 /nfs/dbraw/zinc/86/09/61/533860961.db2.gz NZHJVFHFKRZDPT-ZFWWWQNUSA-N 1 2 339.461 1.552 20 70 EDIDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160192994 527946679 /nfs/dbraw/zinc/94/66/79/527946679.db2.gz WCRHGUVOTQMUBR-GDBMZVCRSA-N 1 2 347.463 1.296 20 70 EDIDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000160192994 527946689 /nfs/dbraw/zinc/94/66/89/527946689.db2.gz WCRHGUVOTQMUBR-GDBMZVCRSA-N 1 2 347.463 1.296 20 70 EDIDLO COc1ccccc1OCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160171661 441863512 /nfs/dbraw/zinc/86/35/12/441863512.db2.gz CWFFIWPFVMWVEG-AWEZNQCLSA-N 1 2 329.400 1.992 20 70 EDIDLO C[C@@H](CS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000159776181 441837279 /nfs/dbraw/zinc/83/72/79/441837279.db2.gz KJHTZALSVPROLK-HNNXBMFYSA-N 1 2 340.489 1.508 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000160025540 441855178 /nfs/dbraw/zinc/85/51/78/441855178.db2.gz OPTDPKRRSRJWQK-HUUCEWRRSA-N 1 2 328.478 1.222 20 70 EDIDLO Cn1cnnc1C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000160768759 441919577 /nfs/dbraw/zinc/91/95/77/441919577.db2.gz RWMPWGJNVKAXRY-HNNXBMFYSA-N 1 2 328.420 1.991 20 70 EDIDLO Cn1cnnc1C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000160768759 441919579 /nfs/dbraw/zinc/91/95/79/441919579.db2.gz RWMPWGJNVKAXRY-HNNXBMFYSA-N 1 2 328.420 1.991 20 70 EDIDLO COc1cccc(-c2cc(C(=O)N(C)CC[NH+]3CCOCC3)[nH]n2)c1 ZINC000161248037 441977798 /nfs/dbraw/zinc/97/77/98/441977798.db2.gz SWCFHOVTAWGANH-UHFFFAOYSA-N 1 2 344.415 1.490 20 70 EDIDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161095348 441956270 /nfs/dbraw/zinc/95/62/70/441956270.db2.gz LGKJJTASIYIWGG-HNNXBMFYSA-N 1 2 336.436 1.186 20 70 EDIDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161095348 441956276 /nfs/dbraw/zinc/95/62/76/441956276.db2.gz LGKJJTASIYIWGG-HNNXBMFYSA-N 1 2 336.436 1.186 20 70 EDIDLO COC[C@@H](O)CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000161394628 441995326 /nfs/dbraw/zinc/99/53/26/441995326.db2.gz PXRZGECQDKPUNS-HOTGVXAUSA-N 1 2 338.473 1.290 20 70 EDIDLO COc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)cc1Cl ZINC000159546569 534073348 /nfs/dbraw/zinc/07/33/48/534073348.db2.gz IXJAAMQFGQWHIP-UHFFFAOYSA-N 1 2 330.812 1.210 20 70 EDIDLO COc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)cc1Cl ZINC000159546569 534073353 /nfs/dbraw/zinc/07/33/53/534073353.db2.gz IXJAAMQFGQWHIP-UHFFFAOYSA-N 1 2 330.812 1.210 20 70 EDIDLO CC(C)Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C1CC1 ZINC000160137600 528746603 /nfs/dbraw/zinc/74/66/03/528746603.db2.gz TYXIIKQVCXXKEZ-CVEARBPZSA-N 1 2 332.448 1.572 20 70 EDIDLO CC(C)Cn1ncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C1CC1 ZINC000160137600 528746608 /nfs/dbraw/zinc/74/66/08/528746608.db2.gz TYXIIKQVCXXKEZ-CVEARBPZSA-N 1 2 332.448 1.572 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)N1CCCCCC1 ZINC000159465098 529846555 /nfs/dbraw/zinc/84/65/55/529846555.db2.gz OKCGMJUNSLZWTQ-UHFFFAOYSA-N 1 2 347.525 1.397 20 70 EDIDLO O=C(NCCOC[C@@H]1CCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160238972 441868584 /nfs/dbraw/zinc/86/85/84/441868584.db2.gz UYXBYSPESCHUPV-KRWDZBQOSA-N 1 2 348.447 1.104 20 70 EDIDLO COc1cc(Cl)ccc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159721816 441832363 /nfs/dbraw/zinc/83/23/63/441832363.db2.gz WVOANQKKPKANJN-ZFWWWQNUSA-N 1 2 339.823 1.573 20 70 EDIDLO COc1cc(Cl)ccc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159721816 441832369 /nfs/dbraw/zinc/83/23/69/441832369.db2.gz WVOANQKKPKANJN-ZFWWWQNUSA-N 1 2 339.823 1.573 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159849036 441843241 /nfs/dbraw/zinc/84/32/41/441843241.db2.gz CXIKOPBNYGHJMZ-UHFFFAOYSA-N 1 2 348.447 1.245 20 70 EDIDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000160612647 441902281 /nfs/dbraw/zinc/90/22/81/441902281.db2.gz IWNHZWZZMKZKJJ-KRWDZBQOSA-N 1 2 346.427 1.808 20 70 EDIDLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000160612647 441902285 /nfs/dbraw/zinc/90/22/85/441902285.db2.gz IWNHZWZZMKZKJJ-KRWDZBQOSA-N 1 2 346.427 1.808 20 70 EDIDLO CC[C@@H](O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000160683261 441909722 /nfs/dbraw/zinc/90/97/22/441909722.db2.gz VBGVVUKHWMAVKW-ZIAGYGMSSA-N 1 2 341.477 1.582 20 70 EDIDLO COc1ccc(Cl)cc1C[NH+]1CCN(Cc2nncn2C)CC1 ZINC000160766005 441919559 /nfs/dbraw/zinc/91/95/59/441919559.db2.gz XFJCRVIIKTUHJC-UHFFFAOYSA-N 1 2 335.839 1.795 20 70 EDIDLO O=C(NCC[C@H]1CCCCO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161185117 441968313 /nfs/dbraw/zinc/96/83/13/441968313.db2.gz AUNKRHFGGJJNSZ-QGZVFWFLSA-N 1 2 332.448 1.868 20 70 EDIDLO Cn1cnc(-c2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2)n1 ZINC000161205772 441972247 /nfs/dbraw/zinc/97/22/47/441972247.db2.gz CLPZJDMBJBEXSL-HUUCEWRRSA-N 1 2 342.403 1.029 20 70 EDIDLO Cn1cnc(-c2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2)n1 ZINC000161205772 441972253 /nfs/dbraw/zinc/97/22/53/441972253.db2.gz CLPZJDMBJBEXSL-HUUCEWRRSA-N 1 2 342.403 1.029 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000161217344 441973269 /nfs/dbraw/zinc/97/32/69/441973269.db2.gz QYSFPXIWTVFFJO-OKILXGFUSA-N 1 2 341.477 1.883 20 70 EDIDLO CN(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161142819 441962455 /nfs/dbraw/zinc/96/24/55/441962455.db2.gz JBEAOCAFCUASFA-UHFFFAOYSA-N 1 2 338.455 1.858 20 70 EDIDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161142819 441962462 /nfs/dbraw/zinc/96/24/62/441962462.db2.gz JBEAOCAFCUASFA-UHFFFAOYSA-N 1 2 338.455 1.858 20 70 EDIDLO Cc1nn(C)c(=O)c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C ZINC000161464530 442001621 /nfs/dbraw/zinc/00/16/21/442001621.db2.gz LWVRKGWFNXBFLD-UHFFFAOYSA-N 1 2 341.415 1.322 20 70 EDIDLO COc1ccc(C[C@H](C)CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000159798220 533782490 /nfs/dbraw/zinc/78/24/90/533782490.db2.gz IDPVVJBTYVBPOD-HOTGVXAUSA-N 1 2 349.475 1.894 20 70 EDIDLO CCOC(=O)NCCCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160001069 529077475 /nfs/dbraw/zinc/07/74/75/529077475.db2.gz STPMCHMYNHNQAX-UHFFFAOYSA-N 1 2 326.422 1.596 20 70 EDIDLO CCOC(=O)NCCCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160001069 529077481 /nfs/dbraw/zinc/07/74/81/529077481.db2.gz STPMCHMYNHNQAX-UHFFFAOYSA-N 1 2 326.422 1.596 20 70 EDIDLO Cc1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c[nH]c1=O ZINC000159363850 593065607 /nfs/dbraw/zinc/06/56/07/593065607.db2.gz SOLJBFJZZSDYFV-UHFFFAOYSA-N 1 2 327.384 1.768 20 70 EDIDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(C)(CO)CO ZINC000159565358 529837728 /nfs/dbraw/zinc/83/77/28/529837728.db2.gz CZHPCZBZQUHSRW-UHFFFAOYSA-N 1 2 335.231 1.855 20 70 EDIDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(C)(CO)CO ZINC000159565358 529837729 /nfs/dbraw/zinc/83/77/29/529837729.db2.gz CZHPCZBZQUHSRW-UHFFFAOYSA-N 1 2 335.231 1.855 20 70 EDIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000159441685 533400655 /nfs/dbraw/zinc/40/06/55/533400655.db2.gz RKHRDYBJFNJWJL-CYBMUJFWSA-N 1 2 336.461 1.857 20 70 EDIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000159441685 533400660 /nfs/dbraw/zinc/40/06/60/533400660.db2.gz RKHRDYBJFNJWJL-CYBMUJFWSA-N 1 2 336.461 1.857 20 70 EDIDLO C[C@H](NC(=O)NCCc1ccc(Cl)nc1)[C@H](C)[NH+]1CCOCC1 ZINC000161115502 533644690 /nfs/dbraw/zinc/64/46/90/533644690.db2.gz NAQRUSOIDBXDPJ-STQMWFEESA-N 1 2 340.855 1.686 20 70 EDIDLO Cc1ccccc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159469212 225223490 /nfs/dbraw/zinc/22/34/90/225223490.db2.gz DNMKLXPKPHFWQW-UHFFFAOYSA-N 1 2 340.489 1.974 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160147275 225348663 /nfs/dbraw/zinc/34/86/63/225348663.db2.gz FXYVXXKILBIYMJ-UHFFFAOYSA-N 1 2 343.387 1.228 20 70 EDIDLO COCCCNC(=O)CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000159470164 441815734 /nfs/dbraw/zinc/81/57/34/441815734.db2.gz XKLVUPKCZBGJGK-UHFFFAOYSA-N 1 2 330.432 1.516 20 70 EDIDLO COC(=O)c1ccc(CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159609966 441824161 /nfs/dbraw/zinc/82/41/61/441824161.db2.gz JOPWYSFHINTJPR-HNNXBMFYSA-N 1 2 327.384 1.891 20 70 EDIDLO CC(C)CN(Cc1[nH+]ccn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000160741958 441915518 /nfs/dbraw/zinc/91/55/18/441915518.db2.gz CEHJXGFONSGZDC-UHFFFAOYSA-N 1 2 348.451 1.171 20 70 EDIDLO CO[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160419048 441880549 /nfs/dbraw/zinc/88/05/49/441880549.db2.gz IMDGYVUVRWCNAN-FGTMMUONSA-N 1 2 347.459 1.927 20 70 EDIDLO COc1ccccc1OC[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000160574147 441897570 /nfs/dbraw/zinc/89/75/70/441897570.db2.gz HDVRQDYXTVKIMO-CQSZACIVSA-N 1 2 332.404 1.906 20 70 EDIDLO Cc1ccccc1CN(C)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161195425 441969400 /nfs/dbraw/zinc/96/94/00/441969400.db2.gz DJQRAEJETYLSQE-UHFFFAOYSA-N 1 2 335.429 1.302 20 70 EDIDLO Cc1cc(NCCNS(=O)(=O)c2cccnc2)nc(C2CC2)[nH+]1 ZINC000161198703 441971220 /nfs/dbraw/zinc/97/12/20/441971220.db2.gz YATGAETULPTDQZ-UHFFFAOYSA-N 1 2 333.417 1.448 20 70 EDIDLO C[C@H](C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161199459 441971352 /nfs/dbraw/zinc/97/13/52/441971352.db2.gz CXHQFZWXYMOFRB-OTTFEQOBSA-N 1 2 327.450 1.418 20 70 EDIDLO COCCn1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000160860130 441928264 /nfs/dbraw/zinc/92/82/64/441928264.db2.gz WNDQCXRSDMZINW-CQSZACIVSA-N 1 2 344.419 1.715 20 70 EDIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000160983666 441944285 /nfs/dbraw/zinc/94/42/85/441944285.db2.gz XIURJAPFNSFQAO-CQSZACIVSA-N 1 2 346.456 1.961 20 70 EDIDLO C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000160994273 441945690 /nfs/dbraw/zinc/94/56/90/441945690.db2.gz YXZAXKZCOMUOGA-HZPDHXFCSA-N 1 2 331.464 1.541 20 70 EDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@@H]21 ZINC000161024483 441947649 /nfs/dbraw/zinc/94/76/49/441947649.db2.gz ILTRTEBVBQLYEK-JKSUJKDBSA-N 1 2 325.453 1.450 20 70 EDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@@H]21 ZINC000161024483 441947652 /nfs/dbraw/zinc/94/76/52/441947652.db2.gz ILTRTEBVBQLYEK-JKSUJKDBSA-N 1 2 325.453 1.450 20 70 EDIDLO Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161182176 441968104 /nfs/dbraw/zinc/96/81/04/441968104.db2.gz RQTWJOCIWMHUAD-UHFFFAOYSA-N 1 2 341.820 1.935 20 70 EDIDLO CCCN(C)S(=O)(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161337036 441986867 /nfs/dbraw/zinc/98/68/67/441986867.db2.gz AQAIIVCBNCGROB-INIZCTEOSA-N 1 2 341.477 1.236 20 70 EDIDLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccccc3)nc2c(=O)n(C)c1=O ZINC000161344904 441989125 /nfs/dbraw/zinc/98/91/25/441989125.db2.gz GHFXXNBUFZDVRQ-CYBMUJFWSA-N 1 2 339.399 1.297 20 70 EDIDLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H]3c3ccccc3)nc2c(=O)n(C)c1=O ZINC000161344904 441989131 /nfs/dbraw/zinc/98/91/31/441989131.db2.gz GHFXXNBUFZDVRQ-CYBMUJFWSA-N 1 2 339.399 1.297 20 70 EDIDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)s1 ZINC000159870605 533933440 /nfs/dbraw/zinc/93/34/40/533933440.db2.gz WZTIAFRTLYPPOR-UHFFFAOYSA-N 1 2 337.470 1.958 20 70 EDIDLO COc1ccc(-c2nnc(SCCn3cc[nH+]c3)n2N)c(OC)c1 ZINC000159726527 533201218 /nfs/dbraw/zinc/20/12/18/533201218.db2.gz AFJBTLOOCZUYEH-UHFFFAOYSA-N 1 2 346.416 1.665 20 70 EDIDLO C[C@@H](CCO)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159680480 533635530 /nfs/dbraw/zinc/63/55/30/533635530.db2.gz QXSSNWYHGWGYDJ-DOTOQJQBSA-N 1 2 335.448 1.000 20 70 EDIDLO O=C(NCCc1cscn1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159367107 441805837 /nfs/dbraw/zinc/80/58/37/441805837.db2.gz KMAVIOMJMLKEDL-UHFFFAOYSA-N 1 2 331.445 1.608 20 70 EDIDLO O=C(NCCCNc1cccc[nH+]1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159387115 441808406 /nfs/dbraw/zinc/80/84/06/441808406.db2.gz NUVVPAFSOVZDPQ-AWEZNQCLSA-N 1 2 344.419 1.938 20 70 EDIDLO Cc1onc(-c2ccncc2)c1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159719267 441832308 /nfs/dbraw/zinc/83/23/08/441832308.db2.gz XYQIZFBUYLTFTA-UONOGXRCSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1onc(-c2ccncc2)c1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159719267 441832312 /nfs/dbraw/zinc/83/23/12/441832312.db2.gz XYQIZFBUYLTFTA-UONOGXRCSA-N 1 2 328.372 1.200 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000160008954 441854912 /nfs/dbraw/zinc/85/49/12/441854912.db2.gz KUSJSJGWLPHLCI-UHFFFAOYSA-N 1 2 349.394 1.890 20 70 EDIDLO C[C@H](Oc1cccc(CO)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160850593 441927118 /nfs/dbraw/zinc/92/71/18/441927118.db2.gz LKSVDCVJCYAGGE-HNNXBMFYSA-N 1 2 341.411 1.690 20 70 EDIDLO C[C@@H](C(=O)N1CCc2ccccc21)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161192645 441970061 /nfs/dbraw/zinc/97/00/61/441970061.db2.gz MRKMORGVMADQKI-LBPRGKRZSA-N 1 2 333.413 1.313 20 70 EDIDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000160974587 441943018 /nfs/dbraw/zinc/94/30/18/441943018.db2.gz VFPUEZQFOISCCE-SJORKVTESA-N 1 2 332.448 1.866 20 70 EDIDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(=O)n1C ZINC000161077879 441953234 /nfs/dbraw/zinc/95/32/34/441953234.db2.gz FOMXPWRLDLLIKI-UHFFFAOYSA-N 1 2 349.475 1.740 20 70 EDIDLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161169876 441966117 /nfs/dbraw/zinc/96/61/17/441966117.db2.gz AJNNJMHOQFEHJU-AEFFLSMTSA-N 1 2 330.476 1.894 20 70 EDIDLO C[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161170241 441966373 /nfs/dbraw/zinc/96/63/73/441966373.db2.gz AJNNJMHOQFEHJU-FUHWJXTLSA-N 1 2 330.476 1.894 20 70 EDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC000161360339 441991529 /nfs/dbraw/zinc/99/15/29/441991529.db2.gz ZNIGESYRBRJMAL-ZDUSSCGKSA-N 1 2 343.435 1.632 20 70 EDIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC000161360339 441991536 /nfs/dbraw/zinc/99/15/36/441991536.db2.gz ZNIGESYRBRJMAL-ZDUSSCGKSA-N 1 2 343.435 1.632 20 70 EDIDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 ZINC000159689103 527960960 /nfs/dbraw/zinc/96/09/60/527960960.db2.gz YGVYGZSJOZRYSE-UHFFFAOYSA-N 1 2 346.431 1.049 20 70 EDIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000159986554 206273330 /nfs/dbraw/zinc/27/33/30/206273330.db2.gz FOYVYZLVVBSPEU-KBPBESRZSA-N 1 2 343.387 1.242 20 70 EDIDLO C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H](c2ccsc2)O1 ZINC000160180884 206283190 /nfs/dbraw/zinc/28/31/90/206283190.db2.gz BBJHZAGRJXSSGF-UKRRQHHQSA-N 1 2 339.461 1.552 20 70 EDIDLO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160266884 206287342 /nfs/dbraw/zinc/28/73/42/206287342.db2.gz OOEWLWBDEPBKNR-NSHDSACASA-N 1 2 330.475 1.756 20 70 EDIDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cnc1Cl ZINC000160381867 206294851 /nfs/dbraw/zinc/29/48/51/206294851.db2.gz IRGKESSTORRZIP-NSHDSACASA-N 1 2 347.868 1.290 20 70 EDIDLO CCCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160784168 206313175 /nfs/dbraw/zinc/31/31/75/206313175.db2.gz LZJPEOZEQZVSLO-CYBMUJFWSA-N 1 2 328.434 1.591 20 70 EDIDLO CCCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160784168 206313177 /nfs/dbraw/zinc/31/31/77/206313177.db2.gz LZJPEOZEQZVSLO-CYBMUJFWSA-N 1 2 328.434 1.591 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)Nc1ccc(F)c(F)c1 ZINC000161176496 225565417 /nfs/dbraw/zinc/56/54/17/225565417.db2.gz BLOHLTWNBUIKBG-UHFFFAOYSA-N 1 2 329.328 1.252 20 70 EDIDLO Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160237514 441868437 /nfs/dbraw/zinc/86/84/37/441868437.db2.gz AXRPYEAQRZHVTC-HNNXBMFYSA-N 1 2 326.400 1.300 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1OC(C)C ZINC000159672489 441828694 /nfs/dbraw/zinc/82/86/94/441828694.db2.gz UQDIFXKRAMGOSB-YOEHRIQHSA-N 1 2 334.416 1.637 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1OC(C)C ZINC000159672489 441828704 /nfs/dbraw/zinc/82/87/04/441828704.db2.gz UQDIFXKRAMGOSB-YOEHRIQHSA-N 1 2 334.416 1.637 20 70 EDIDLO CO[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000159778909 441837074 /nfs/dbraw/zinc/83/70/74/441837074.db2.gz UKXPMHIQCAFZNN-CABCVRRESA-N 1 2 342.399 1.709 20 70 EDIDLO CCC(=O)N1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160823870 441925203 /nfs/dbraw/zinc/92/52/03/441925203.db2.gz WUKHPGFUPSUGQY-UHFFFAOYSA-N 1 2 327.432 1.926 20 70 EDIDLO CCC(=O)N1CCC[N@@H+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160823870 441925208 /nfs/dbraw/zinc/92/52/08/441925208.db2.gz WUKHPGFUPSUGQY-UHFFFAOYSA-N 1 2 327.432 1.926 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161217971 441973311 /nfs/dbraw/zinc/97/33/11/441973311.db2.gz NGJIJGIBZOKHBC-BETUJISGSA-N 1 2 343.449 1.015 20 70 EDIDLO COc1ccccc1N1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000161074504 539484384 /nfs/dbraw/zinc/48/43/84/539484384.db2.gz YBWLSGUNWYASHT-UHFFFAOYSA-N 1 2 326.462 1.642 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCN1CCc2ccccc21 ZINC000159817556 206265183 /nfs/dbraw/zinc/26/51/83/206265183.db2.gz FPBQAPONTMTUDT-UHFFFAOYSA-N 1 2 349.500 1.231 20 70 EDIDLO Cc1cccc(C)c1-n1nnnc1CSCC[NH+]1CCOCC1 ZINC000160063837 206277977 /nfs/dbraw/zinc/27/79/77/206277977.db2.gz STHQGLJSBUDUGR-UHFFFAOYSA-N 1 2 333.461 1.845 20 70 EDIDLO CO[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160417704 206296281 /nfs/dbraw/zinc/29/62/81/206296281.db2.gz DBPDNRVDECEWND-DLBZAZTESA-N 1 2 332.448 1.866 20 70 EDIDLO COc1ccccc1OC[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000160574003 206304197 /nfs/dbraw/zinc/30/41/97/206304197.db2.gz HDVRQDYXTVKIMO-AWEZNQCLSA-N 1 2 332.404 1.906 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCSCC3)nc(N)c21 ZINC000160590965 206304491 /nfs/dbraw/zinc/30/44/91/206304491.db2.gz ULWZULREXCDQGW-UHFFFAOYSA-N 1 2 336.417 1.839 20 70 EDIDLO C[C@H](C(=O)NCc1cccs1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161228596 206335461 /nfs/dbraw/zinc/33/54/61/206335461.db2.gz VEIVOPVRCBZPQB-OAHLLOKOSA-N 1 2 344.484 1.966 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1ccc(F)cc1 ZINC000159768011 302918606 /nfs/dbraw/zinc/91/86/06/302918606.db2.gz LOADVUUPOMEBCP-UHFFFAOYSA-N 1 2 326.437 1.550 20 70 EDIDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(OC)c1OC ZINC000159404981 441809972 /nfs/dbraw/zinc/80/99/72/441809972.db2.gz MQVYCGPNMHQSIF-LBPRGKRZSA-N 1 2 345.399 1.788 20 70 EDIDLO Cn1nc(C(C)(C)C)cc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000160063558 441857758 /nfs/dbraw/zinc/85/77/58/441857758.db2.gz FYKCEYRDWVCJKE-UHFFFAOYSA-N 1 2 340.493 1.722 20 70 EDIDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159850091 441843681 /nfs/dbraw/zinc/84/36/81/441843681.db2.gz RLDTYGLZCJQWIM-ZDUSSCGKSA-N 1 2 344.419 1.702 20 70 EDIDLO CC(C)(C)OC(=O)N[C@@H](CNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000160760388 441917642 /nfs/dbraw/zinc/91/76/42/441917642.db2.gz YLCLKTJELNNFLL-ZDUSSCGKSA-N 1 2 337.424 1.486 20 70 EDIDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c(F)cc1F ZINC000160826185 441924946 /nfs/dbraw/zinc/92/49/46/441924946.db2.gz SKVZCQZKTWQAPT-UHFFFAOYSA-N 1 2 348.415 1.350 20 70 EDIDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000160824403 441925602 /nfs/dbraw/zinc/92/56/02/441925602.db2.gz KROGQPQJAQXHRH-UHFFFAOYSA-N 1 2 346.880 1.726 20 70 EDIDLO CC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cnn(C)c1 ZINC000161132673 441960579 /nfs/dbraw/zinc/96/05/79/441960579.db2.gz RVCMOXZPJQWXBP-UHFFFAOYSA-N 1 2 345.447 1.179 20 70 EDIDLO CC[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1cnn(C)c1 ZINC000161132673 441960586 /nfs/dbraw/zinc/96/05/86/441960586.db2.gz RVCMOXZPJQWXBP-UHFFFAOYSA-N 1 2 345.447 1.179 20 70 EDIDLO Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)C3CCOCC3)ccc2n1C ZINC000161147134 441963101 /nfs/dbraw/zinc/96/31/01/441963101.db2.gz HMVCMRTXEHPMFC-LLVKDONJSA-N 1 2 344.415 1.752 20 70 EDIDLO C[C@@H]1C[C@@H]1[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccc(Cl)cc1 ZINC000161296490 441981567 /nfs/dbraw/zinc/98/15/67/441981567.db2.gz OVLBGVVBXARXRB-HYSWKAIVSA-N 1 2 335.835 1.585 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000161335907 441986781 /nfs/dbraw/zinc/98/67/81/441986781.db2.gz HAMYUAMAJYQEFX-UHFFFAOYSA-N 1 2 335.367 1.831 20 70 EDIDLO Cc1csc(=O)n1CC[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000159562689 318419089 /nfs/dbraw/zinc/41/90/89/318419089.db2.gz DEVUYWRRZOPEMJ-UHFFFAOYSA-N 1 2 327.450 1.628 20 70 EDIDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC000159603704 318419675 /nfs/dbraw/zinc/41/96/75/318419675.db2.gz XFVRZHNFRSXADS-CYBMUJFWSA-N 1 2 325.453 1.701 20 70 EDIDLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160196426 283363796 /nfs/dbraw/zinc/36/37/96/283363796.db2.gz YBWAIEQXICPHFD-MRXNPFEDSA-N 1 2 332.448 1.512 20 70 EDIDLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160196426 283363798 /nfs/dbraw/zinc/36/37/98/283363798.db2.gz YBWAIEQXICPHFD-MRXNPFEDSA-N 1 2 332.448 1.512 20 70 EDIDLO C[C@@H](CCO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159680324 206257934 /nfs/dbraw/zinc/25/79/34/206257934.db2.gz QXSSNWYHGWGYDJ-RDJZCZTQSA-N 1 2 335.448 1.000 20 70 EDIDLO CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]cc2C)c1 ZINC000159716885 206259261 /nfs/dbraw/zinc/25/92/61/206259261.db2.gz KZAOVAMYERPYRZ-UHFFFAOYSA-N 1 2 340.426 1.984 20 70 EDIDLO CCCCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159723094 206260651 /nfs/dbraw/zinc/26/06/51/206260651.db2.gz SOAIEANKVGRCNR-UHFFFAOYSA-N 1 2 348.447 1.862 20 70 EDIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 ZINC000159986685 206273436 /nfs/dbraw/zinc/27/34/36/206273436.db2.gz FOYVYZLVVBSPEU-KGLIPLIRSA-N 1 2 343.387 1.242 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1cccc2cnccc21)C[NH+]1CCOCC1 ZINC000160368775 206293010 /nfs/dbraw/zinc/29/30/10/206293010.db2.gz DCFSKUNKIYRQNJ-AWEZNQCLSA-N 1 2 349.456 1.481 20 70 EDIDLO CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160388548 206293883 /nfs/dbraw/zinc/29/38/83/206293883.db2.gz BTWNKORNXXMTGU-HNNXBMFYSA-N 1 2 339.399 1.842 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC000160452135 206298019 /nfs/dbraw/zinc/29/80/19/206298019.db2.gz XAZCCJNKUXDEKP-ZDUSSCGKSA-N 1 2 346.431 1.424 20 70 EDIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000161251747 206337256 /nfs/dbraw/zinc/33/72/56/206337256.db2.gz OZTWTVKJGVHHFS-AWEZNQCLSA-N 1 2 339.461 1.897 20 70 EDIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000161251747 206337258 /nfs/dbraw/zinc/33/72/58/206337258.db2.gz OZTWTVKJGVHHFS-AWEZNQCLSA-N 1 2 339.461 1.897 20 70 EDIDLO CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161236224 272930653 /nfs/dbraw/zinc/93/06/53/272930653.db2.gz VXZOHAIZYGCPAI-NSHDSACASA-N 1 2 348.353 1.821 20 70 EDIDLO Cn1cc(N2CC[C@H]([NH+]3CCC([C@H](O)C(F)(F)F)CC3)C2=O)cn1 ZINC000161399755 302926549 /nfs/dbraw/zinc/92/65/49/302926549.db2.gz PWBQJXIRFNZPSI-STQMWFEESA-N 1 2 346.353 1.161 20 70 EDIDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000159846929 441841383 /nfs/dbraw/zinc/84/13/83/441841383.db2.gz JNDLOQLLLWSQNB-INIZCTEOSA-N 1 2 334.464 1.049 20 70 EDIDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C)cn2)CC1 ZINC000159846929 441841387 /nfs/dbraw/zinc/84/13/87/441841387.db2.gz JNDLOQLLLWSQNB-INIZCTEOSA-N 1 2 334.464 1.049 20 70 EDIDLO COc1ccccc1N1CC[C@H](SCC[NH+]2CCOCC2)C1=O ZINC000160038370 441855345 /nfs/dbraw/zinc/85/53/45/441855345.db2.gz RMTLOSUIQKPWMK-INIZCTEOSA-N 1 2 336.457 1.866 20 70 EDIDLO CCc1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160819349 441925223 /nfs/dbraw/zinc/92/52/23/441925223.db2.gz IWWLFAAQMVJTRB-UHFFFAOYSA-N 1 2 326.462 1.326 20 70 EDIDLO CCOC(=O)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160412418 441879213 /nfs/dbraw/zinc/87/92/13/441879213.db2.gz IMCBAPMUCREZLV-HNNXBMFYSA-N 1 2 327.384 1.939 20 70 EDIDLO COc1ccc(OCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160434877 441881884 /nfs/dbraw/zinc/88/18/84/441881884.db2.gz INFNANQUEMHWPF-KRWDZBQOSA-N 1 2 334.416 1.444 20 70 EDIDLO COc1ccc(OCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160434877 441881890 /nfs/dbraw/zinc/88/18/90/441881890.db2.gz INFNANQUEMHWPF-KRWDZBQOSA-N 1 2 334.416 1.444 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000161202824 441971261 /nfs/dbraw/zinc/97/12/61/441971261.db2.gz KDRFLWLRQGEMQG-UHFFFAOYSA-N 1 2 347.440 1.526 20 70 EDIDLO O=S(=O)(NCCNc1cc(C(F)(F)F)cc[nH+]1)c1cccnc1 ZINC000161200956 441971344 /nfs/dbraw/zinc/97/13/44/441971344.db2.gz NKSARSURZHUYJB-UHFFFAOYSA-N 1 2 346.334 1.886 20 70 EDIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)c(F)c1 ZINC000159381570 206242701 /nfs/dbraw/zinc/24/27/01/206242701.db2.gz TULIKPJJZASOAC-LLVKDONJSA-N 1 2 339.367 1.917 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159908691 206270532 /nfs/dbraw/zinc/27/05/32/206270532.db2.gz WYRRAHKRHVKGQJ-NSHDSACASA-N 1 2 347.337 1.473 20 70 EDIDLO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160450781 206297687 /nfs/dbraw/zinc/29/76/87/206297687.db2.gz ZZFKCMBLWLPIQM-HNNXBMFYSA-N 1 2 348.447 1.497 20 70 EDIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccnc1OCC(F)F ZINC000160692513 206308904 /nfs/dbraw/zinc/30/89/04/206308904.db2.gz CVYBSGDTSHOWNP-NSHDSACASA-N 1 2 339.346 1.810 20 70 EDIDLO O=C(CN1CC[NH2+]CC1=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160694175 267505984 /nfs/dbraw/zinc/50/59/84/267505984.db2.gz PENNYSNLCIHLMW-CYBMUJFWSA-N 1 2 349.740 1.491 20 70 EDIDLO Cn1cnc2cc(C(=O)NCc3cccnc3-n3cc[nH+]c3)cnc21 ZINC000160070521 441857447 /nfs/dbraw/zinc/85/74/47/441857447.db2.gz IEJOPTZPDNVEBT-UHFFFAOYSA-N 1 2 333.355 1.479 20 70 EDIDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2F)cn1 ZINC000160099559 441858412 /nfs/dbraw/zinc/85/84/12/441858412.db2.gz YTJBYTMYMXJTQT-GFCCVEGCSA-N 1 2 341.184 1.638 20 70 EDIDLO CCc1c(C(=O)NCc2cn3ccccc3[nH+]2)[nH]c(C)c1C(N)=O ZINC000159693323 441830283 /nfs/dbraw/zinc/83/02/83/441830283.db2.gz NSWGCLUMHWOKSG-UHFFFAOYSA-N 1 2 325.372 1.562 20 70 EDIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2n[nH]cc2c(=O)[nH]1 ZINC000159710232 441832183 /nfs/dbraw/zinc/83/21/83/441832183.db2.gz IVPZUEGIGFBDLP-UHFFFAOYSA-N 1 2 335.371 1.527 20 70 EDIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCO1 ZINC000159914817 441846257 /nfs/dbraw/zinc/84/62/57/441846257.db2.gz GFAXCUQJMDFVBI-HUUCEWRRSA-N 1 2 330.494 1.372 20 70 EDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159931269 441847338 /nfs/dbraw/zinc/84/73/38/441847338.db2.gz COTOGTDZTMPWPC-ZDUSSCGKSA-N 1 2 348.447 1.292 20 70 EDIDLO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 ZINC000161218844 441973389 /nfs/dbraw/zinc/97/33/89/441973389.db2.gz XOFXRUCWXVCRJK-LBPRGKRZSA-N 1 2 327.450 1.826 20 70 EDIDLO COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1OC ZINC000161003922 441945770 /nfs/dbraw/zinc/94/57/70/441945770.db2.gz WOUILUDPWUOEHT-MRXNPFEDSA-N 1 2 334.416 1.527 20 70 EDIDLO CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)Cc2cnn(C)c2)c1 ZINC000161097123 441956622 /nfs/dbraw/zinc/95/66/22/441956622.db2.gz HGXDGRZHSMVSJV-UHFFFAOYSA-N 1 2 343.431 1.630 20 70 EDIDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)Cc2cnn(C)c2)c1 ZINC000161097123 441956627 /nfs/dbraw/zinc/95/66/27/441956627.db2.gz HGXDGRZHSMVSJV-UHFFFAOYSA-N 1 2 343.431 1.630 20 70 EDIDLO Cn1c(=O)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161101532 441957891 /nfs/dbraw/zinc/95/78/91/441957891.db2.gz AQWYQULIJDHOAB-UHFFFAOYSA-N 1 2 326.331 1.640 20 70 EDIDLO COc1cccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000218101591 491014886 /nfs/dbraw/zinc/01/48/86/491014886.db2.gz VXGKOQAFJOYRDQ-ZDUSSCGKSA-N 1 2 333.413 1.647 20 70 EDIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000161346049 528026482 /nfs/dbraw/zinc/02/64/82/528026482.db2.gz PKLOKIIZSPVURD-ZDUSSCGKSA-N 1 2 335.452 1.260 20 70 EDIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000161346049 528026489 /nfs/dbraw/zinc/02/64/89/528026489.db2.gz PKLOKIIZSPVURD-ZDUSSCGKSA-N 1 2 335.452 1.260 20 70 EDIDLO CN(C1CCCCC1)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159368116 536164163 /nfs/dbraw/zinc/16/41/63/536164163.db2.gz DPFQEXVYMJLSIV-CQSZACIVSA-N 1 2 338.477 1.759 20 70 EDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCc2n[nH]cc2C1 ZINC000159781731 540013849 /nfs/dbraw/zinc/01/38/49/540013849.db2.gz YECNBWMRAPRLFZ-CYBMUJFWSA-N 1 2 328.420 1.342 20 70 EDIDLO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ncn1 ZINC000161274695 540032220 /nfs/dbraw/zinc/03/22/20/540032220.db2.gz AQMQAFKCPJOGTM-UHFFFAOYSA-N 1 2 326.400 1.547 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000159795271 206263223 /nfs/dbraw/zinc/26/32/23/206263223.db2.gz ZSWUMXZTNYHXMA-CXAGYDPISA-N 1 2 339.411 1.053 20 70 EDIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NCc1ccco1 ZINC000160020355 206276003 /nfs/dbraw/zinc/27/60/03/206276003.db2.gz HVWDPBUYZWKUON-OAHLLOKOSA-N 1 2 326.462 1.986 20 70 EDIDLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1F ZINC000160376084 206292478 /nfs/dbraw/zinc/29/24/78/206292478.db2.gz IUMQMUMWGJBNSG-GFCCVEGCSA-N 1 2 330.425 1.381 20 70 EDIDLO Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000159442660 441813876 /nfs/dbraw/zinc/81/38/76/441813876.db2.gz FVWOKSNMXFSXQR-UHFFFAOYSA-N 1 2 325.416 1.812 20 70 EDIDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159610811 441824400 /nfs/dbraw/zinc/82/44/00/441824400.db2.gz DXLOSFFACUUSPF-IBGZPJMESA-N 1 2 345.443 1.786 20 70 EDIDLO CCCCNC(=O)NC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159610811 441824404 /nfs/dbraw/zinc/82/44/04/441824404.db2.gz DXLOSFFACUUSPF-IBGZPJMESA-N 1 2 345.443 1.786 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cn1 ZINC000159932319 441847763 /nfs/dbraw/zinc/84/77/63/441847763.db2.gz SZLGILMGLDFXPJ-INIZCTEOSA-N 1 2 348.447 1.192 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160453953 441884362 /nfs/dbraw/zinc/88/43/62/441884362.db2.gz GROJYPDDFUJFFX-NVXWUHKLSA-N 1 2 347.390 1.298 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160453953 441884369 /nfs/dbraw/zinc/88/43/69/441884369.db2.gz GROJYPDDFUJFFX-NVXWUHKLSA-N 1 2 347.390 1.298 20 70 EDIDLO O=C(CN(Cc1c[nH+]c2ccccn12)C[C@H]1CCCO1)N1CCCC1 ZINC000160873953 441931107 /nfs/dbraw/zinc/93/11/07/441931107.db2.gz BVPHNEHGRKUQSA-QGZVFWFLSA-N 1 2 342.443 1.938 20 70 EDIDLO O=C(C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCCO1)N1CCCC1 ZINC000160873953 441931111 /nfs/dbraw/zinc/93/11/11/441931111.db2.gz BVPHNEHGRKUQSA-QGZVFWFLSA-N 1 2 342.443 1.938 20 70 EDIDLO O=C(C[N@H+](Cc1cnc2ccccn12)C[C@H]1CCCO1)N1CCCC1 ZINC000160873953 441931116 /nfs/dbraw/zinc/93/11/16/441931116.db2.gz BVPHNEHGRKUQSA-QGZVFWFLSA-N 1 2 342.443 1.938 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000161054025 441951494 /nfs/dbraw/zinc/95/14/94/441951494.db2.gz MRCJTCMTUORRPA-RISCZKNCSA-N 1 2 345.403 1.790 20 70 EDIDLO NC(=O)CN(CCC1CCCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161134994 441961918 /nfs/dbraw/zinc/96/19/18/441961918.db2.gz VAEDOHAGIVAHNC-OAHLLOKOSA-N 1 2 332.448 1.730 20 70 EDIDLO C[C@@H](NC(=O)c1ccc(Br)c(O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000160626045 539483890 /nfs/dbraw/zinc/48/38/90/539483890.db2.gz QMVCBRWKTXXJLT-RNCFNFMXSA-N 1 2 343.221 1.604 20 70 EDIDLO C[C@@H](NC(=O)c1ccc(Br)c(O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000160626045 539483896 /nfs/dbraw/zinc/48/38/96/539483896.db2.gz QMVCBRWKTXXJLT-RNCFNFMXSA-N 1 2 343.221 1.604 20 70 EDIDLO CC1CCN(c2ccc(CNC(=O)C3(NC(N)=O)CC3)c[nH+]2)CC1 ZINC000160775135 540026371 /nfs/dbraw/zinc/02/63/71/540026371.db2.gz NAVBOTGMFDFWQF-UHFFFAOYSA-N 1 2 331.420 1.135 20 70 EDIDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159565527 206251914 /nfs/dbraw/zinc/25/19/14/206251914.db2.gz WABBOWJKESTTPQ-UHFFFAOYSA-N 1 2 344.839 1.518 20 70 EDIDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159565527 206251918 /nfs/dbraw/zinc/25/19/18/206251918.db2.gz WABBOWJKESTTPQ-UHFFFAOYSA-N 1 2 344.839 1.518 20 70 EDIDLO CC(C)CC(=O)NCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159994565 206274722 /nfs/dbraw/zinc/27/47/22/206274722.db2.gz DLRRJRAJZOWZOB-UHFFFAOYSA-N 1 2 332.448 1.850 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000160412308 206295334 /nfs/dbraw/zinc/29/53/34/206295334.db2.gz MYYRMDUWJWGGIE-NSHDSACASA-N 1 2 334.388 1.211 20 70 EDIDLO C[C@@H](CNS(=O)(=O)c1ccccc1Cl)C[NH+]1CCOCC1 ZINC000160406138 206296021 /nfs/dbraw/zinc/29/60/21/206296021.db2.gz GOCFLZCTBWWSAL-LBPRGKRZSA-N 1 2 332.853 1.587 20 70 EDIDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161231829 206336373 /nfs/dbraw/zinc/33/63/73/206336373.db2.gz FAYVCUAMSQVTDE-CQSZACIVSA-N 1 2 347.463 1.212 20 70 EDIDLO CCC(CC)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)[NH+]1CCOCC1 ZINC000161437185 206348163 /nfs/dbraw/zinc/34/81/63/206348163.db2.gz ZYYBGKUVKXWINJ-GUYCJALGSA-N 1 2 336.480 1.902 20 70 EDIDLO O=C(CCC(=O)N1CC[NH+](Cc2ccncc2)CC1)NC1CCCC1 ZINC000160268622 225376448 /nfs/dbraw/zinc/37/64/48/225376448.db2.gz PRYIKNCVRZZQKK-UHFFFAOYSA-N 1 2 344.459 1.565 20 70 EDIDLO COCCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000159629636 441825671 /nfs/dbraw/zinc/82/56/71/441825671.db2.gz FFYZOXZZWWVYST-MRXNPFEDSA-N 1 2 328.478 1.127 20 70 EDIDLO Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159732690 441833392 /nfs/dbraw/zinc/83/33/92/441833392.db2.gz WAQKWLSHODXUOV-OAHLLOKOSA-N 1 2 343.431 1.395 20 70 EDIDLO CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cnn(C)c1 ZINC000161077958 441953409 /nfs/dbraw/zinc/95/34/09/441953409.db2.gz KNDMZQLECWULOK-UHFFFAOYSA-N 1 2 329.404 1.839 20 70 EDIDLO CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1cnn(C)c1 ZINC000161077958 441953415 /nfs/dbraw/zinc/95/34/15/441953415.db2.gz KNDMZQLECWULOK-UHFFFAOYSA-N 1 2 329.404 1.839 20 70 EDIDLO Cc1ccc(CNC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C)cc1 ZINC000161168068 441966188 /nfs/dbraw/zinc/96/61/88/441966188.db2.gz VNHPNSHUCHMUJM-CYBMUJFWSA-N 1 2 335.429 1.348 20 70 EDIDLO CC(C)CCn1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000161360177 441989599 /nfs/dbraw/zinc/98/95/99/441989599.db2.gz PDPAJIQCMOKQPF-HNNXBMFYSA-N 1 2 335.452 1.868 20 70 EDIDLO CCC[N@H+](Cc1cnc2nc(C)cc(C)n12)[C@H]1CCS(=O)(=O)C1 ZINC000161095566 528150575 /nfs/dbraw/zinc/15/05/75/528150575.db2.gz KNCMQWPNSRFQGB-AWEZNQCLSA-N 1 2 336.461 1.745 20 70 EDIDLO CCC[N@@H+](Cc1cnc2nc(C)cc(C)n12)[C@H]1CCS(=O)(=O)C1 ZINC000161095566 528150579 /nfs/dbraw/zinc/15/05/79/528150579.db2.gz KNCMQWPNSRFQGB-AWEZNQCLSA-N 1 2 336.461 1.745 20 70 EDIDLO CCn1c2nnc(C[N@H+](C)C[C@H](O)C3CC3)n2c2ccccc2c1=O ZINC000160818655 540027111 /nfs/dbraw/zinc/02/71/11/540027111.db2.gz YIQAVHYZEXFOOX-HNNXBMFYSA-N 1 2 341.415 1.267 20 70 EDIDLO CCn1c2nnc(C[N@@H+](C)C[C@H](O)C3CC3)n2c2ccccc2c1=O ZINC000160818655 540027113 /nfs/dbraw/zinc/02/71/13/540027113.db2.gz YIQAVHYZEXFOOX-HNNXBMFYSA-N 1 2 341.415 1.267 20 70 EDIDLO NC(=O)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159441953 206245648 /nfs/dbraw/zinc/24/56/48/206245648.db2.gz ZTCDDULALTZMHK-HZPDHXFCSA-N 1 2 330.384 1.703 20 70 EDIDLO NC(=O)c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000159441953 206245649 /nfs/dbraw/zinc/24/56/49/206245649.db2.gz ZTCDDULALTZMHK-HZPDHXFCSA-N 1 2 330.384 1.703 20 70 EDIDLO Cc1noc(C)c1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159643960 206256722 /nfs/dbraw/zinc/25/67/22/206256722.db2.gz QGXJSFGPKGEWLQ-UHFFFAOYSA-N 1 2 329.404 1.714 20 70 EDIDLO C[C@H](CO)CNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000159587499 206252516 /nfs/dbraw/zinc/25/25/16/206252516.db2.gz WIXRJCOKGBGBSQ-ZDUSSCGKSA-N 1 2 343.427 1.901 20 70 EDIDLO C[C@H](CNS(=O)(=O)c1cc(F)ccc1F)C[NH+]1CCOCC1 ZINC000160367228 206292469 /nfs/dbraw/zinc/29/24/69/206292469.db2.gz RZKZVPCLNCGPBE-LLVKDONJSA-N 1 2 334.388 1.211 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000160366112 206293226 /nfs/dbraw/zinc/29/32/26/206293226.db2.gz HOKJFNYGKZNCAQ-MJGOQNOKSA-N 1 2 347.459 1.616 20 70 EDIDLO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160373951 206293392 /nfs/dbraw/zinc/29/33/92/206293392.db2.gz NUWKEYPYBUZPIP-GFCCVEGCSA-N 1 2 346.880 1.895 20 70 EDIDLO Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2ccc[nH+]c2N(C)C)c1C ZINC000160441265 206297122 /nfs/dbraw/zinc/29/71/22/206297122.db2.gz JRUVHTAYIXEKQA-UHFFFAOYSA-N 1 2 348.428 1.664 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@@H]3CCCO3)nc(N)c21 ZINC000160619656 206306874 /nfs/dbraw/zinc/30/68/74/206306874.db2.gz YADAEPFBCGKAJJ-NSHDSACASA-N 1 2 348.403 1.901 20 70 EDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)C[C@@H]3CCCO3)nc(N)c21 ZINC000160619656 206306876 /nfs/dbraw/zinc/30/68/76/206306876.db2.gz YADAEPFBCGKAJJ-NSHDSACASA-N 1 2 348.403 1.901 20 70 EDIDLO Cc1n[nH]c(C)c1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161187310 206334364 /nfs/dbraw/zinc/33/43/64/206334364.db2.gz WDFOQEMHZOTJKW-UHFFFAOYSA-N 1 2 328.420 1.178 20 70 EDIDLO C[C@H]1CCCN(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159439417 441812863 /nfs/dbraw/zinc/81/28/63/441812863.db2.gz ZLGZPQGSHDGSFF-HNNXBMFYSA-N 1 2 347.525 1.253 20 70 EDIDLO C[C@H](CNS(=O)(=O)N(C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000160373491 441874596 /nfs/dbraw/zinc/87/45/96/441874596.db2.gz WUJBGRPUGZTPMI-CQSZACIVSA-N 1 2 333.498 1.054 20 70 EDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000160273051 441869433 /nfs/dbraw/zinc/86/94/33/441869433.db2.gz JIYJPLCYADZLDN-UHFFFAOYSA-N 1 2 331.460 1.462 20 70 EDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000160273051 441869438 /nfs/dbraw/zinc/86/94/38/441869438.db2.gz JIYJPLCYADZLDN-UHFFFAOYSA-N 1 2 331.460 1.462 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000160305344 441871191 /nfs/dbraw/zinc/87/11/91/441871191.db2.gz AYUBWHKGRGLFHS-UHFFFAOYSA-N 1 2 339.399 1.509 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)[nH]n2)cc1 ZINC000159654430 441827795 /nfs/dbraw/zinc/82/77/95/441827795.db2.gz UGUZKORLARXCPN-SJORKVTESA-N 1 2 326.400 1.540 20 70 EDIDLO Cc1ccc(-c2cc(C(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)[nH]n2)cc1 ZINC000159654430 441827804 /nfs/dbraw/zinc/82/78/04/441827804.db2.gz UGUZKORLARXCPN-SJORKVTESA-N 1 2 326.400 1.540 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000160034345 441856237 /nfs/dbraw/zinc/85/62/37/441856237.db2.gz DYXRNZVXLMAORJ-UHFFFAOYSA-N 1 2 341.371 1.491 20 70 EDIDLO CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160412289 441879627 /nfs/dbraw/zinc/87/96/27/441879627.db2.gz IMCBAPMUCREZLV-OAHLLOKOSA-N 1 2 327.384 1.939 20 70 EDIDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCO1 ZINC000160974702 441942936 /nfs/dbraw/zinc/94/29/36/441942936.db2.gz VFPUEZQFOISCCE-DLBZAZTESA-N 1 2 332.448 1.866 20 70 EDIDLO CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160381906 529941832 /nfs/dbraw/zinc/94/18/32/529941832.db2.gz ZUJNZDJLYQZAPP-OAHLLOKOSA-N 1 2 339.399 1.842 20 70 EDIDLO CC[C@H](COC)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000159677159 206258214 /nfs/dbraw/zinc/25/82/14/206258214.db2.gz NAIFEZMVCQRUBP-QZTJIDSGSA-N 1 2 349.475 1.654 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccs1 ZINC000159474960 206247969 /nfs/dbraw/zinc/24/79/69/206247969.db2.gz NBCUXTCWZOQJNI-UHFFFAOYSA-N 1 2 332.491 1.727 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000159818131 206265965 /nfs/dbraw/zinc/26/59/65/206265965.db2.gz BQUHLNWAMWUCEF-GFCCVEGCSA-N 1 2 340.411 1.853 20 70 EDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159908826 206269441 /nfs/dbraw/zinc/26/94/41/206269441.db2.gz WYRRAHKRHVKGQJ-LLVKDONJSA-N 1 2 347.337 1.473 20 70 EDIDLO C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160313260 206289632 /nfs/dbraw/zinc/28/96/32/206289632.db2.gz SMNRFGZVULKWOJ-VYDXJSESSA-N 1 2 335.448 1.519 20 70 EDIDLO CCCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160400276 206296186 /nfs/dbraw/zinc/29/61/86/206296186.db2.gz SKHYMULTWCAUOY-OAHLLOKOSA-N 1 2 340.489 1.886 20 70 EDIDLO CC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160407841 206296240 /nfs/dbraw/zinc/29/62/40/206296240.db2.gz JJGUVCQIZIZFED-CYBMUJFWSA-N 1 2 340.445 1.136 20 70 EDIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)n1 ZINC000160922753 206318327 /nfs/dbraw/zinc/31/83/27/206318327.db2.gz GMKZBZYSRIXVIV-ZDUSSCGKSA-N 1 2 342.465 1.038 20 70 EDIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)n1 ZINC000160922753 206318329 /nfs/dbraw/zinc/31/83/29/206318329.db2.gz GMKZBZYSRIXVIV-ZDUSSCGKSA-N 1 2 342.465 1.038 20 70 EDIDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160592505 206305044 /nfs/dbraw/zinc/30/50/44/206305044.db2.gz WAVTXERQXJUKMU-SJLPKXTDSA-N 1 2 346.475 1.970 20 70 EDIDLO COc1ccc(-c2cc(C(=O)N(C)CC[NH+]3CCOCC3)[nH]n2)cc1 ZINC000161251290 206337640 /nfs/dbraw/zinc/33/76/40/206337640.db2.gz DSXYXHWTTHZIGR-UHFFFAOYSA-N 1 2 344.415 1.490 20 70 EDIDLO CCC(CC)[C@@H](C(=O)N[C@H](C)Cc1cc(C)[nH]n1)[NH+]1CCOCC1 ZINC000161437474 206347909 /nfs/dbraw/zinc/34/79/09/206347909.db2.gz ZYYBGKUVKXWINJ-DYVFJYSZSA-N 1 2 336.480 1.902 20 70 EDIDLO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161195157 298174890 /nfs/dbraw/zinc/17/48/90/298174890.db2.gz CGBAFJIKMWKOBI-AAVRWANBSA-N 1 2 341.477 1.664 20 70 EDIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCn2cccc2)c1 ZINC000160156295 441862620 /nfs/dbraw/zinc/86/26/20/441862620.db2.gz VIVYNUMMJWCANR-UHFFFAOYSA-N 1 2 337.383 1.644 20 70 EDIDLO C[C@H](CCO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000159619704 441825007 /nfs/dbraw/zinc/82/50/07/441825007.db2.gz WFFRQKRDCVOUJB-OLZOCXBDSA-N 1 2 341.402 1.999 20 70 EDIDLO C[C@H](CCO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000159619704 441825014 /nfs/dbraw/zinc/82/50/14/441825014.db2.gz WFFRQKRDCVOUJB-OLZOCXBDSA-N 1 2 341.402 1.999 20 70 EDIDLO C[C@H](CS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000159776311 441836355 /nfs/dbraw/zinc/83/63/55/441836355.db2.gz KJHTZALSVPROLK-OAHLLOKOSA-N 1 2 340.489 1.508 20 70 EDIDLO COc1cccc(CS(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160372679 441875451 /nfs/dbraw/zinc/87/54/51/441875451.db2.gz XUMBLCGMFDAOPL-CQSZACIVSA-N 1 2 342.461 1.083 20 70 EDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCN1c1nccs1 ZINC000160437772 441883307 /nfs/dbraw/zinc/88/33/07/441883307.db2.gz UHSDZNJKJVOYCT-ZIAGYGMSSA-N 1 2 336.461 1.091 20 70 EDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCN1c1nccs1 ZINC000160437772 441883314 /nfs/dbraw/zinc/88/33/14/441883314.db2.gz UHSDZNJKJVOYCT-ZIAGYGMSSA-N 1 2 336.461 1.091 20 70 EDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160454211 441884810 /nfs/dbraw/zinc/88/48/10/441884810.db2.gz GROJYPDDFUJFFX-DOTOQJQBSA-N 1 2 347.390 1.298 20 70 EDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000160454211 441884817 /nfs/dbraw/zinc/88/48/17/441884817.db2.gz GROJYPDDFUJFFX-DOTOQJQBSA-N 1 2 347.390 1.298 20 70 EDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000160946206 441939156 /nfs/dbraw/zinc/93/91/56/441939156.db2.gz HQPWCQWAXSBVNC-HNNXBMFYSA-N 1 2 339.480 1.062 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161072914 441953650 /nfs/dbraw/zinc/95/36/50/441953650.db2.gz JPOLCEQULUSXSU-LBPRGKRZSA-N 1 2 330.388 1.998 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161072914 441953653 /nfs/dbraw/zinc/95/36/53/441953653.db2.gz JPOLCEQULUSXSU-LBPRGKRZSA-N 1 2 330.388 1.998 20 70 EDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc2[nH]nnc2c1 ZINC000159652400 529846663 /nfs/dbraw/zinc/84/66/63/529846663.db2.gz XULSWGUSVQQQIO-UHFFFAOYSA-N 1 2 331.420 1.388 20 70 EDIDLO COC[C@H](O)CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000161394242 277264182 /nfs/dbraw/zinc/26/41/82/277264182.db2.gz PXRZGECQDKPUNS-HZPDHXFCSA-N 1 2 338.473 1.290 20 70 EDIDLO C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)[NH+]1CCOCC1 ZINC000160206903 441865061 /nfs/dbraw/zinc/86/50/61/441865061.db2.gz YLPJBVFSCUORCM-ZDUSSCGKSA-N 1 2 349.406 1.403 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1OCC(C)C ZINC000159673928 441828505 /nfs/dbraw/zinc/82/85/05/441828505.db2.gz VSVKFRRTIPZOQG-YJBOKZPZSA-N 1 2 348.443 1.885 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccc1OCC(C)C ZINC000159673928 441828514 /nfs/dbraw/zinc/82/85/14/441828514.db2.gz VSVKFRRTIPZOQG-YJBOKZPZSA-N 1 2 348.443 1.885 20 70 EDIDLO CC(C)(CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC000159812666 441839619 /nfs/dbraw/zinc/83/96/19/441839619.db2.gz VUGNYEMHOSFVSQ-UHFFFAOYSA-N 1 2 348.438 1.080 20 70 EDIDLO C[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)C[NH+]1CCOCC1 ZINC000160387368 441876861 /nfs/dbraw/zinc/87/68/61/441876861.db2.gz NQKWOOIYBJRNHG-LLVKDONJSA-N 1 2 334.388 1.211 20 70 EDIDLO Cc1c(C(=O)N(C)CCCn2cc[nH+]c2)cccc1S(N)(=O)=O ZINC000160479878 441887179 /nfs/dbraw/zinc/88/71/79/441887179.db2.gz OBWABICZFIVADC-UHFFFAOYSA-N 1 2 336.417 1.001 20 70 EDIDLO CC[N@H+](Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000160534813 441893444 /nfs/dbraw/zinc/89/34/44/441893444.db2.gz SAJDSHQIOJEFMS-AWEZNQCLSA-N 1 2 325.430 1.857 20 70 EDIDLO CC[N@@H+](Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000160534813 441893450 /nfs/dbraw/zinc/89/34/50/441893450.db2.gz SAJDSHQIOJEFMS-AWEZNQCLSA-N 1 2 325.430 1.857 20 70 EDIDLO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161204622 441972327 /nfs/dbraw/zinc/97/23/27/441972327.db2.gz SWPIEGIGTSGKME-QWHCGFSZSA-N 1 2 347.440 1.701 20 70 EDIDLO COCCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160974738 441943316 /nfs/dbraw/zinc/94/33/16/441943316.db2.gz CIVJGWCYWVAAEQ-SFHVURJKSA-N 1 2 348.443 1.535 20 70 EDIDLO Cc1nc(CC(C)C)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)s1 ZINC000161023345 441947616 /nfs/dbraw/zinc/94/76/16/441947616.db2.gz AGHNEKMLIZHIJZ-UHFFFAOYSA-N 1 2 349.460 1.992 20 70 EDIDLO Cc1nc(CC(C)C)c(NC(=O)C(=O)NCCn2cc[nH+]c2)s1 ZINC000161132744 441960990 /nfs/dbraw/zinc/96/09/90/441960990.db2.gz OZPXUEDUYAUQJW-UHFFFAOYSA-N 1 2 335.433 1.601 20 70 EDIDLO CC[N@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000161128081 441961257 /nfs/dbraw/zinc/96/12/57/441961257.db2.gz QJRUNBIJCIOVRM-UHFFFAOYSA-N 1 2 334.395 1.576 20 70 EDIDLO CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000161128081 441961260 /nfs/dbraw/zinc/96/12/60/441961260.db2.gz QJRUNBIJCIOVRM-UHFFFAOYSA-N 1 2 334.395 1.576 20 70 EDIDLO Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C)c(C)c1 ZINC000161178782 441967361 /nfs/dbraw/zinc/96/73/61/441967361.db2.gz XOEDUQYWXIEMPZ-ZDUSSCGKSA-N 1 2 335.429 1.979 20 70 EDIDLO COC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161389870 441994080 /nfs/dbraw/zinc/99/40/80/441994080.db2.gz NCIHMYPFPQIBFW-UHFFFAOYSA-N 1 2 325.796 1.340 20 70 EDIDLO Cc1ccc2ncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c(=O)n2c1 ZINC000161423680 441998331 /nfs/dbraw/zinc/99/83/31/441998331.db2.gz KECLPRCRXTYYRX-CQSZACIVSA-N 1 2 349.394 1.407 20 70 EDIDLO COC[C@@](C)([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(=O)OC ZINC000161351338 441988278 /nfs/dbraw/zinc/98/82/78/441988278.db2.gz JFMVSZJMDVZCNU-QGZVFWFLSA-N 1 2 328.453 1.439 20 70 EDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCCc1ccc(F)cc1 ZINC000160006018 533994077 /nfs/dbraw/zinc/99/40/77/533994077.db2.gz NWAOERNWPKXKKY-CQSZACIVSA-N 1 2 340.464 1.938 20 70 EDIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000159757943 534164028 /nfs/dbraw/zinc/16/40/28/534164028.db2.gz VESALGKZBAGHJD-BBRMVZONSA-N 1 2 331.416 1.540 20 70 EDIDLO Cc1c(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cnn1C ZINC000159496900 225228076 /nfs/dbraw/zinc/22/80/76/225228076.db2.gz UFVFWCPEVCLZJY-UHFFFAOYSA-N 1 2 328.420 1.723 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161294699 272930717 /nfs/dbraw/zinc/93/07/17/272930717.db2.gz KRRCDFJDHPAKGF-UHFFFAOYSA-N 1 2 339.355 1.698 20 70 EDIDLO CC(C)N(C[C@@H](C)O)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000159436853 302917698 /nfs/dbraw/zinc/91/76/98/302917698.db2.gz PRVIGMRFXLGWSP-SJLPKXTDSA-N 1 2 349.475 1.861 20 70 EDIDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000160026038 302920043 /nfs/dbraw/zinc/92/00/43/302920043.db2.gz OZBQLIQMGPHJRI-CVEARBPZSA-N 1 2 344.521 1.763 20 70 EDIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160978204 302924999 /nfs/dbraw/zinc/92/49/99/302924999.db2.gz WVDDKTJLFBYCEJ-CQSZACIVSA-N 1 2 336.432 1.173 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1OC(C)C ZINC000159672376 441828747 /nfs/dbraw/zinc/82/87/47/441828747.db2.gz UQDIFXKRAMGOSB-PBHICJAKSA-N 1 2 334.416 1.637 20 70 EDIDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccc1OC(C)C ZINC000159672376 441828751 /nfs/dbraw/zinc/82/87/51/441828751.db2.gz UQDIFXKRAMGOSB-PBHICJAKSA-N 1 2 334.416 1.637 20 70 EDIDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159680663 441829607 /nfs/dbraw/zinc/82/96/07/441829607.db2.gz NXROZWCEQLWNJP-MRXNPFEDSA-N 1 2 333.432 1.185 20 70 EDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159680663 441829614 /nfs/dbraw/zinc/82/96/14/441829614.db2.gz NXROZWCEQLWNJP-MRXNPFEDSA-N 1 2 333.432 1.185 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2)cs1 ZINC000159704831 441831044 /nfs/dbraw/zinc/83/10/44/441831044.db2.gz RHMSCZWCDBIDKO-HUUCEWRRSA-N 1 2 332.429 1.602 20 70 EDIDLO Cc1nc(-c2c[nH]c(C(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)cs1 ZINC000159704831 441831049 /nfs/dbraw/zinc/83/10/49/441831049.db2.gz RHMSCZWCDBIDKO-HUUCEWRRSA-N 1 2 332.429 1.602 20 70 EDIDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160646791 441905300 /nfs/dbraw/zinc/90/53/00/441905300.db2.gz SXQZKSBIDMNMJQ-NVXWUHKLSA-N 1 2 348.447 1.103 20 70 EDIDLO CC(C)n1ccnc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000160723172 441913070 /nfs/dbraw/zinc/91/30/70/441913070.db2.gz RSPIPERBWLFOJW-UHFFFAOYSA-N 1 2 347.507 1.984 20 70 EDIDLO CO[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160418143 441880371 /nfs/dbraw/zinc/88/03/71/441880371.db2.gz DBPDNRVDECEWND-SJORKVTESA-N 1 2 332.448 1.866 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000161197638 441970650 /nfs/dbraw/zinc/97/06/50/441970650.db2.gz JDTPMMSLBJKPJZ-ZIAGYGMSSA-N 1 2 339.461 1.516 20 70 EDIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161073026 441953391 /nfs/dbraw/zinc/95/33/91/441953391.db2.gz JPOLCEQULUSXSU-GFCCVEGCSA-N 1 2 330.388 1.998 20 70 EDIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000161073026 441953395 /nfs/dbraw/zinc/95/33/95/441953395.db2.gz JPOLCEQULUSXSU-GFCCVEGCSA-N 1 2 330.388 1.998 20 70 EDIDLO Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n[nH]1 ZINC000161374633 441992180 /nfs/dbraw/zinc/99/21/80/441992180.db2.gz ILHUFBXZAWMLPJ-KSSFIOAISA-N 1 2 342.443 1.666 20 70 EDIDLO Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n[nH]1 ZINC000161374633 441992183 /nfs/dbraw/zinc/99/21/83/441992183.db2.gz ILHUFBXZAWMLPJ-KSSFIOAISA-N 1 2 342.443 1.666 20 70 EDIDLO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160041638 291296357 /nfs/dbraw/zinc/29/63/57/291296357.db2.gz KSMVEYDMBOOPAA-GOEBONIOSA-N 1 2 341.415 1.713 20 70 EDIDLO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000160041638 291296360 /nfs/dbraw/zinc/29/63/60/291296360.db2.gz KSMVEYDMBOOPAA-GOEBONIOSA-N 1 2 341.415 1.713 20 70 EDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cnn(C)c1 ZINC000160359271 225395554 /nfs/dbraw/zinc/39/55/54/225395554.db2.gz NHNYQEPSJFUNJS-CQSZACIVSA-N 1 2 328.420 1.404 20 70 EDIDLO CCO[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2=O)C12CCCCC2 ZINC000161023104 272930428 /nfs/dbraw/zinc/93/04/28/272930428.db2.gz OQSFDJPOWWEUQA-LSDHHAIUSA-N 1 2 337.464 1.005 20 70 EDIDLO CC(C)c1nc(N(C)C)nc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160398231 441878347 /nfs/dbraw/zinc/87/83/47/441878347.db2.gz GXEDYDLKDQVEID-CQSZACIVSA-N 1 2 334.468 1.362 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160824618 441925684 /nfs/dbraw/zinc/92/56/84/441925684.db2.gz IOSYMQWNXKMSDH-ROUUACIJSA-N 1 2 347.459 1.880 20 70 EDIDLO C[C@H](C(=O)N1CCc2ccccc2C1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161204397 441971995 /nfs/dbraw/zinc/97/19/95/441971995.db2.gz NKULNCOTMUZLCV-CYBMUJFWSA-N 1 2 347.440 1.308 20 70 EDIDLO CC[C@H](O)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000160845755 441927803 /nfs/dbraw/zinc/92/78/03/441927803.db2.gz DAAIYKJWNAAQQG-GOEBONIOSA-N 1 2 346.431 1.978 20 70 EDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@@H]21 ZINC000161024350 441947528 /nfs/dbraw/zinc/94/75/28/441947528.db2.gz ILTRTEBVBQLYEK-HOTGVXAUSA-N 1 2 325.453 1.450 20 70 EDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@@H]21 ZINC000161024350 441947532 /nfs/dbraw/zinc/94/75/32/441947532.db2.gz ILTRTEBVBQLYEK-HOTGVXAUSA-N 1 2 325.453 1.450 20 70 EDIDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)S1 ZINC000160959348 534003634 /nfs/dbraw/zinc/00/36/34/534003634.db2.gz OINUZEKIMMGCMP-XJKSGUPXSA-N 1 2 345.468 1.936 20 70 EDIDLO CC1(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000160348325 528023495 /nfs/dbraw/zinc/02/34/95/528023495.db2.gz GBUHIWXMULWIRK-UHFFFAOYSA-N 1 2 345.447 1.362 20 70 EDIDLO O=C(CSCC[NH+]1CCOCC1)NCCOc1cccc(F)c1 ZINC000159896610 225298747 /nfs/dbraw/zinc/29/87/47/225298747.db2.gz FMCPRAYCAZOXKP-UHFFFAOYSA-N 1 2 342.436 1.386 20 70 EDIDLO Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cn1 ZINC000159932145 225304731 /nfs/dbraw/zinc/30/47/31/225304731.db2.gz SZLGILMGLDFXPJ-MRXNPFEDSA-N 1 2 348.447 1.192 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000160071023 225331989 /nfs/dbraw/zinc/33/19/89/225331989.db2.gz OFAJDHPYHURKIN-UHFFFAOYSA-N 1 2 331.376 1.261 20 70 EDIDLO C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H](c2ccsc2)O1 ZINC000160181024 225357113 /nfs/dbraw/zinc/35/71/13/225357113.db2.gz BBJHZAGRJXSSGF-DZGCQCFKSA-N 1 2 339.461 1.552 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000161197418 225573328 /nfs/dbraw/zinc/57/33/28/225573328.db2.gz JDTPMMSLBJKPJZ-KGLIPLIRSA-N 1 2 339.461 1.516 20 70 EDIDLO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CN1CC[NH2+]CC1=O ZINC000161456863 267509371 /nfs/dbraw/zinc/50/93/71/267509371.db2.gz WDKRHUPMJOYCTA-QWHCGFSZSA-N 1 2 337.851 1.722 20 70 EDIDLO CC(=O)N1CSC[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159480039 441816860 /nfs/dbraw/zinc/81/68/60/441816860.db2.gz FXAPONHIPXOGJZ-GFCCVEGCSA-N 1 2 338.820 1.525 20 70 EDIDLO O=C(NCCCS(=O)(=O)c1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160755197 441916462 /nfs/dbraw/zinc/91/64/62/441916462.db2.gz LAWRJNUDTOVEES-AWEZNQCLSA-N 1 2 347.440 1.426 20 70 EDIDLO COc1cc(OC)cc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000160768173 441919067 /nfs/dbraw/zinc/91/90/67/441919067.db2.gz NNYNVXOXBYHYNC-UHFFFAOYSA-N 1 2 344.415 1.395 20 70 EDIDLO C[C@@H](C(=O)NCCc1cccs1)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161196353 441970100 /nfs/dbraw/zinc/97/01/00/441970100.db2.gz DKRYLNLRRORBAJ-NSHDSACASA-N 1 2 341.458 1.144 20 70 EDIDLO CN(CC[NH+]1CCOCC1)C(=O)COc1ccc2c(c1)CCCC2 ZINC000161250835 441977394 /nfs/dbraw/zinc/97/73/94/441977394.db2.gz XMMPHPGQVLFQQT-UHFFFAOYSA-N 1 2 332.444 1.735 20 70 EDIDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161095223 441957143 /nfs/dbraw/zinc/95/71/43/441957143.db2.gz LGKJJTASIYIWGG-OAHLLOKOSA-N 1 2 336.436 1.186 20 70 EDIDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161095223 441957149 /nfs/dbraw/zinc/95/71/49/441957149.db2.gz LGKJJTASIYIWGG-OAHLLOKOSA-N 1 2 336.436 1.186 20 70 EDIDLO Cn1c(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc2cc(F)ccc21 ZINC000161488081 442004472 /nfs/dbraw/zinc/00/44/72/442004472.db2.gz KNHQIHKANUJQGZ-GFCCVEGCSA-N 1 2 341.390 1.830 20 70 EDIDLO O=C1NC2(CO1)CC[NH+](Cc1cccc(Br)n1)CC2 ZINC000218046283 443058180 /nfs/dbraw/zinc/05/81/80/443058180.db2.gz LFCJWKRENDZETQ-UHFFFAOYSA-N 1 2 326.194 1.919 20 70 EDIDLO CCN(C(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C)c1ccccc1 ZINC000161194295 284233509 /nfs/dbraw/zinc/23/35/09/284233509.db2.gz MLLDBFKAOCICAM-ZDUSSCGKSA-N 1 2 335.429 1.777 20 70 EDIDLO CS(=O)(=O)c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000159396692 225209979 /nfs/dbraw/zinc/20/99/79/225209979.db2.gz AIKSHMMILURJHD-OAHLLOKOSA-N 1 2 338.473 1.639 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccco1 ZINC000159698735 225263441 /nfs/dbraw/zinc/26/34/41/225263441.db2.gz YWSCNAKTUPAZGF-UHFFFAOYSA-N 1 2 344.371 1.075 20 70 EDIDLO C[C@]1(O)CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000159919371 225301098 /nfs/dbraw/zinc/30/10/98/225301098.db2.gz HBYXZTLVLQLIMM-IBGZPJMESA-N 1 2 347.459 1.575 20 70 EDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)c3ccncc3)C2)CC1 ZINC000160089351 441858551 /nfs/dbraw/zinc/85/85/51/441858551.db2.gz UARXUCGLHUPXBG-FUHWJXTLSA-N 1 2 330.476 1.814 20 70 EDIDLO CCCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160358529 441874025 /nfs/dbraw/zinc/87/40/25/441874025.db2.gz JVMXTIOIICYYCK-UHFFFAOYSA-N 1 2 339.505 1.870 20 70 EDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603625 441901178 /nfs/dbraw/zinc/90/11/78/441901178.db2.gz LISOOBPFDATJBG-MRXNPFEDSA-N 1 2 338.473 1.429 20 70 EDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C)c1 ZINC000160603625 441901183 /nfs/dbraw/zinc/90/11/83/441901183.db2.gz LISOOBPFDATJBG-MRXNPFEDSA-N 1 2 338.473 1.429 20 70 EDIDLO Cn1cc[nH+]c1CS(=O)(=O)CC(=O)NCC1(c2ccccc2)CC1 ZINC000161205608 441972890 /nfs/dbraw/zinc/97/28/90/441972890.db2.gz HPQCXZILKSADOJ-UHFFFAOYSA-N 1 2 347.440 1.183 20 70 EDIDLO CCOc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC ZINC000160993720 441945248 /nfs/dbraw/zinc/94/52/48/441945248.db2.gz CBXJVALTIOGJIF-QGZVFWFLSA-N 1 2 348.443 1.917 20 70 EDIDLO CCc1noc(C)c1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161172036 441966628 /nfs/dbraw/zinc/96/66/28/441966628.db2.gz JEJBVCJGGTTWTL-GFCCVEGCSA-N 1 2 343.387 1.274 20 70 EDIDLO Cc1conc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160364471 534755519 /nfs/dbraw/zinc/75/55/19/534755519.db2.gz LNKFNABHLWJYBZ-UHFFFAOYSA-N 1 2 343.387 1.623 20 70 EDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160273442 528086498 /nfs/dbraw/zinc/08/64/98/528086498.db2.gz OKQXYYQPMCBDSM-UHFFFAOYSA-N 1 2 343.349 1.388 20 70 EDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160273442 528086503 /nfs/dbraw/zinc/08/65/03/528086503.db2.gz OKQXYYQPMCBDSM-UHFFFAOYSA-N 1 2 343.349 1.388 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159823044 533615770 /nfs/dbraw/zinc/61/57/70/533615770.db2.gz CCXVBYGLVYWTID-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159823044 533615778 /nfs/dbraw/zinc/61/57/78/533615778.db2.gz CCXVBYGLVYWTID-QGZVFWFLSA-N 1 2 339.395 1.612 20 70 EDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC(C)C ZINC000159719618 225265753 /nfs/dbraw/zinc/26/57/53/225265753.db2.gz NEAOXDSFSWTNPT-UHFFFAOYSA-N 1 2 334.420 1.327 20 70 EDIDLO CCC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(=O)N(C)C ZINC000159498018 441817126 /nfs/dbraw/zinc/81/71/26/441817126.db2.gz LZJSQWQZDMRFPA-UHFFFAOYSA-N 1 2 337.468 1.456 20 70 EDIDLO CCC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(=O)N(C)C ZINC000159498018 441817132 /nfs/dbraw/zinc/81/71/32/441817132.db2.gz LZJSQWQZDMRFPA-UHFFFAOYSA-N 1 2 337.468 1.456 20 70 EDIDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCCCO2)CC1)Nc1ccccc1 ZINC000160686332 441909071 /nfs/dbraw/zinc/90/90/71/441909071.db2.gz RGABJPAIFGKDMB-KRWDZBQOSA-N 1 2 345.443 1.775 20 70 EDIDLO Cc1ccccc1CS(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160830482 441926521 /nfs/dbraw/zinc/92/65/21/441926521.db2.gz WNRVDOXBILNRQU-UHFFFAOYSA-N 1 2 326.462 1.213 20 70 EDIDLO C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000160406803 441879455 /nfs/dbraw/zinc/87/94/55/441879455.db2.gz PSZNUHUSNMHSHA-CYBMUJFWSA-N 1 2 330.425 1.213 20 70 EDIDLO C[C@@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000160480304 441887282 /nfs/dbraw/zinc/88/72/82/441887282.db2.gz YNIGUINKASICQO-GHMZBOCLSA-N 1 2 349.357 1.676 20 70 EDIDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000160489590 441888740 /nfs/dbraw/zinc/88/87/40/441888740.db2.gz FHJKDGNCZYAFAB-UHFFFAOYSA-N 1 2 326.462 1.728 20 70 EDIDLO COc1cccc(NC(=O)C[N@H+](C)Cc2cnc(N(C)C)nc2)c1 ZINC000160905708 441934579 /nfs/dbraw/zinc/93/45/79/441934579.db2.gz GCDWWBIJULYACK-UHFFFAOYSA-N 1 2 329.404 1.622 20 70 EDIDLO COc1cccc(NC(=O)C[N@@H+](C)Cc2cnc(N(C)C)nc2)c1 ZINC000160905708 441934580 /nfs/dbraw/zinc/93/45/80/441934580.db2.gz GCDWWBIJULYACK-UHFFFAOYSA-N 1 2 329.404 1.622 20 70 EDIDLO Cc1ccc(F)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C ZINC000161170553 441965883 /nfs/dbraw/zinc/96/58/83/441965883.db2.gz SUBIBVYMEHUNSK-NSHDSACASA-N 1 2 339.392 1.810 20 70 EDIDLO CCCCn1ncc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000160173739 529107210 /nfs/dbraw/zinc/10/72/10/529107210.db2.gz ZMQOZCRRSJJORO-OAHLLOKOSA-N 1 2 335.452 1.930 20 70 EDIDLO