smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160655205 349282227 /nfs/dbraw/zinc/28/22/27/349282227.db2.gz WBFNPIILYIZOAI-UHFFFAOYSA-N 1 0 237.303 1.152 10 70 BDIERO COc1cccnc1NC[C@@H]([NH3+])C1CC1 ZINC000160296920 357971361 /nfs/dbraw/zinc/97/13/61/357971361.db2.gz QDGQOKALUINZKN-SECBINFHSA-N 1 0 207.277 1.239 10 70 BDIERO CC[C@@H](O)CC[NH2+]Cc1ccnc(C)n1 ZINC000218766891 134259902 /nfs/dbraw/zinc/25/99/02/134259902.db2.gz MSMSLGXIBFFMKR-LLVKDONJSA-N 1 0 209.293 1.036 10 70 BDIERO O=C([C@H]1CCC[NH2+]C1)N1CCC2(CCC2)C1 ZINC000160623252 182635360 /nfs/dbraw/zinc/63/53/60/182635360.db2.gz VBXRGRNIZIBILF-NSHDSACASA-N 1 0 222.332 1.389 10 70 BDIERO CCC[C@H](C(=O)N(C)Cc1ccncc1)[NH+](C)C ZINC000161393410 384485789 /nfs/dbraw/zinc/48/57/89/384485789.db2.gz JNHDEULCXLFPQP-CYBMUJFWSA-N 1 0 249.358 1.770 10 70 BDIERO CC(C)(COc1ccc(C(N)=[NH2+])cc1)ON ZINC000217498961 384899350 /nfs/dbraw/zinc/89/93/50/384899350.db2.gz XMJAZRAGSPODRO-UHFFFAOYSA-N 1 0 223.276 1.018 10 70 BDIERO CC(C)OC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000217757672 388572151 /nfs/dbraw/zinc/57/21/51/388572151.db2.gz QVZIHQDBISXJPW-SECBINFHSA-N 1 0 214.309 1.604 10 70 BDIERO CC1(CNC(=O)[C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000160827712 168035769 /nfs/dbraw/zinc/03/57/69/168035769.db2.gz FNWYJCIBPVAVKB-NXEZZACHSA-N 1 0 210.321 1.420 10 70 BDIERO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)C(C)C ZINC000161379746 173368824 /nfs/dbraw/zinc/36/88/24/173368824.db2.gz AGHMOJMLSTXMLD-RYUDHWBXSA-N 1 0 226.364 1.879 10 70 BDIERO CCC[C@H](C(=O)NC1CCCC1)[NH+](C)C ZINC000161179207 323150071 /nfs/dbraw/zinc/15/00/71/323150071.db2.gz POHDUNGDKDORCX-LLVKDONJSA-N 1 0 212.337 1.776 10 70 BDIERO CCCCCC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217898292 535001388 /nfs/dbraw/zinc/00/13/88/535001388.db2.gz IKTFINDHHPKAFH-IJLUTSLNSA-N 1 0 242.363 1.184 10 70 BDIERO Cn1c2ccccc2nc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000217200330 345744619 /nfs/dbraw/zinc/74/46/19/345744619.db2.gz IPMRQPXTUWOKMX-MFKMUULPSA-N 1 0 242.326 1.371 10 70 BDIERO CCn1cnnc1[C@H]1CCC[N@H+](CC)C1 ZINC000161274597 349413470 /nfs/dbraw/zinc/41/34/70/349413470.db2.gz MGVFAXYOWFAPAP-JTQLQIEISA-N 1 0 208.309 1.497 10 70 BDIERO CC(C)=CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160566235 361319321 /nfs/dbraw/zinc/31/93/21/361319321.db2.gz KSGJTZJHOSGCCY-PHIMTYICSA-N 1 0 208.305 1.306 10 70 BDIERO CCC[C@H]1C[NH+]=C(N[C@H]2CCOC2)S1 ZINC000218109411 372062641 /nfs/dbraw/zinc/06/26/41/372062641.db2.gz YPGLKBBRLXIRGT-IUCAKERBSA-N 1 0 214.334 1.636 10 70 BDIERO CCC[C@@H](C(=O)NCc1ccco1)[NH+](C)C ZINC000161130744 169345198 /nfs/dbraw/zinc/34/51/98/169345198.db2.gz ZRGFFFKHIQUWDT-NSHDSACASA-N 1 0 224.304 1.626 10 70 BDIERO CCC[C@@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000161160749 169345908 /nfs/dbraw/zinc/34/59/08/169345908.db2.gz TYWSGKOMZGQJQZ-NSHDSACASA-N 1 0 221.304 1.750 10 70 BDIERO [NH3+][C@H]1CCC[C@H](NC(=O)CC(F)(F)F)C1 ZINC000161103851 385450616 /nfs/dbraw/zinc/45/06/16/385450616.db2.gz FJWRRBCRMWUVLG-BQBZGAKWSA-N 1 0 224.226 1.325 10 70 BDIERO CSC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000160152131 175524362 /nfs/dbraw/zinc/52/43/62/175524362.db2.gz PZTJANBQOHLCKG-QMMMGPOBSA-N 1 0 213.350 1.570 10 70 BDIERO CCC[C@@H](C(=O)NC1CCCC1)[NH+](C)C ZINC000161179070 323150145 /nfs/dbraw/zinc/15/01/45/323150145.db2.gz POHDUNGDKDORCX-NSHDSACASA-N 1 0 212.337 1.776 10 70 BDIERO CC[C@@H](C(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217576354 371981763 /nfs/dbraw/zinc/98/17/63/371981763.db2.gz MEVZMIJYMCYNBN-IUCAKERBSA-N 1 0 216.350 1.162 10 70 BDIERO C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160272806 384721828 /nfs/dbraw/zinc/72/18/28/384721828.db2.gz ZOEQLACFNUREDG-CWSCBRNRSA-N 1 0 246.310 1.111 10 70 BDIERO CSC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000160152259 387076493 /nfs/dbraw/zinc/07/64/93/387076493.db2.gz PZTJANBQOHLCKG-MRVPVSSYSA-N 1 0 213.350 1.570 10 70 BDIERO COC(=O)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000217345740 388570333 /nfs/dbraw/zinc/57/03/33/388570333.db2.gz UCIIUEDTTDKXDL-MNOVXSKESA-N 1 0 227.304 1.193 10 70 BDIERO CCC[C@@H](C(=O)N1CCOC(C)(C)C1)[NH+](C)C ZINC000159988509 323056834 /nfs/dbraw/zinc/05/68/34/323056834.db2.gz QKOMTVGXQLQRDB-NSHDSACASA-N 1 0 242.363 1.354 10 70 BDIERO CCC[C@H](C(=O)N[C@@H](C)C(C)C)[NH+](C)C ZINC000161397906 323512076 /nfs/dbraw/zinc/51/20/76/323512076.db2.gz CLEXALAQBOOPCA-WDEREUQCSA-N 1 0 214.353 1.877 10 70 BDIERO CCn1cnnc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000161422013 349443626 /nfs/dbraw/zinc/44/36/26/349443626.db2.gz XOXCHCOTJFLHKM-NSHDSACASA-N 1 0 222.336 1.886 10 70 BDIERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000217696862 490480851 /nfs/dbraw/zinc/48/08/51/490480851.db2.gz YXNPRTSEOFLVJK-OPRDCNLKSA-N 1 0 212.337 1.665 10 70 BDIERO COC[C@H](C)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000218743685 134260096 /nfs/dbraw/zinc/26/00/96/134260096.db2.gz OEWGVLVYQFPCME-HBNTYKKESA-N 1 0 200.326 1.094 10 70 BDIERO C[C@]1(C(=O)Nc2nccs2)CCCC[NH2+]1 ZINC000159548000 361251482 /nfs/dbraw/zinc/25/14/82/361251482.db2.gz WPZWTEKUVIPZTG-SNVBAGLBSA-N 1 0 225.317 1.614 10 70 BDIERO Cc1c(C[NH2+]C[C@@H](C)C2CC2)cnn1C ZINC000160142405 541495784 /nfs/dbraw/zinc/49/57/84/541495784.db2.gz PSVPJDQWENKCDN-SECBINFHSA-N 1 0 207.321 1.864 10 70 BDIERO CCC[C@H]1C[NH+]=C(N[C@@H]2CCOC2)S1 ZINC000218109251 372062541 /nfs/dbraw/zinc/06/25/41/372062541.db2.gz YPGLKBBRLXIRGT-BDAKNGLRSA-N 1 0 214.334 1.636 10 70 BDIERO Cn1cc([C@H]2CCC[N@@H+]2CCOCC2CC2)cn1 ZINC000160519993 388072404 /nfs/dbraw/zinc/07/24/04/388072404.db2.gz JKVJUCVWBQNFSA-CQSZACIVSA-N 1 0 249.358 1.984 10 70 BDIERO CCC[C@H](C(=O)N1CCOC(C)(C)C1)[NH+](C)C ZINC000159988629 323056795 /nfs/dbraw/zinc/05/67/95/323056795.db2.gz QKOMTVGXQLQRDB-LLVKDONJSA-N 1 0 242.363 1.354 10 70 BDIERO CCC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000161136031 323149026 /nfs/dbraw/zinc/14/90/26/323149026.db2.gz OEFINLWGVNBLFF-IJLUTSLNSA-N 1 0 242.363 1.353 10 70 BDIERO CCC[C@H](C(=O)NCCC(C)C)[NH+](C)C ZINC000161164798 323149672 /nfs/dbraw/zinc/14/96/72/323149672.db2.gz UXCLRRYIABHNDJ-LLVKDONJSA-N 1 0 214.353 1.879 10 70 BDIERO CN(CCC[NH3+])c1ccncc1Br ZINC000159793041 343202335 /nfs/dbraw/zinc/20/23/35/343202335.db2.gz OELKOMUSZBSAHL-UHFFFAOYSA-N 1 0 244.136 1.629 10 70 BDIERO NC(=S)[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000159620039 350953537 /nfs/dbraw/zinc/95/35/37/350953537.db2.gz PAIDCUKSNNHFRV-QMMMGPOBSA-N 1 0 227.358 1.394 10 70 BDIERO [NH3+][C@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC000161103629 385451443 /nfs/dbraw/zinc/45/14/43/385451443.db2.gz FJWRRBCRMWUVLG-NKWVEPMBSA-N 1 0 224.226 1.325 10 70 BDIERO CCC[C@H](C(=O)NCC(F)(F)F)[NH+](C)C ZINC000161437848 387211547 /nfs/dbraw/zinc/21/15/47/387211547.db2.gz OKHLSGCUROVBSC-SSDOTTSWSA-N 1 0 226.242 1.395 10 70 BDIERO C[C@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160273041 134802624 /nfs/dbraw/zinc/80/26/24/134802624.db2.gz ZOEQLACFNUREDG-OPQQBVKSSA-N 1 0 246.310 1.111 10 70 BDIERO CC(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160704461 323103453 /nfs/dbraw/zinc/10/34/53/323103453.db2.gz PIIDCOXCNNNMTQ-VXGBXAGGSA-N 1 0 240.347 1.948 10 70 BDIERO CC(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000160704833 323103569 /nfs/dbraw/zinc/10/35/69/323103569.db2.gz PIIDCOXCNNNMTQ-RYUDHWBXSA-N 1 0 240.347 1.948 10 70 BDIERO CCC[C@H](C(=O)N1CCC[C@H](C)C1)[NH+](C)C ZINC000161151071 323149143 /nfs/dbraw/zinc/14/91/43/323149143.db2.gz BNMMEVZRNBSWBI-NWDGAFQWSA-N 1 0 226.364 1.975 10 70 BDIERO CCC[C@@H](C(=O)N1CCC(C)CC1)[NH+](C)C ZINC000161187657 323151287 /nfs/dbraw/zinc/15/12/87/323151287.db2.gz QOMNNRHQGPTTGI-LBPRGKRZSA-N 1 0 226.364 1.975 10 70 BDIERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCC[NH3+] ZINC000160104428 345798485 /nfs/dbraw/zinc/79/84/85/345798485.db2.gz JHWUFCMAXBSHKB-SKDRFNHKSA-N 1 0 234.299 1.016 10 70 BDIERO CC(C)[C@H](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160389070 187317903 /nfs/dbraw/zinc/31/79/03/187317903.db2.gz JQZATHBABKQJIA-MNOVXSKESA-N 1 0 212.337 1.618 10 70 BDIERO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc2cn[nH]c21 ZINC000160276169 384868086 /nfs/dbraw/zinc/86/80/86/384868086.db2.gz JJNREHGRWCBLSZ-JTQLQIEISA-N 1 0 244.298 1.126 10 70 BDIERO Cc1cnccc1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000160592667 388078270 /nfs/dbraw/zinc/07/82/70/388078270.db2.gz GAWABCHKWYYYPR-ZYHUDNBSSA-N 1 0 206.289 1.657 10 70 BDIERO CCC[C@H](C(=O)N[C@H](C)CC)[NH+](C)C ZINC000161133446 323148892 /nfs/dbraw/zinc/14/88/92/323148892.db2.gz SEZMJUVOTZFTRU-NXEZZACHSA-N 1 0 200.326 1.631 10 70 BDIERO CCC[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159554117 488056780 /nfs/dbraw/zinc/05/67/80/488056780.db2.gz CXCHIEMZXOQIPT-ZYHUDNBSSA-N 1 0 212.337 1.823 10 70 BDIERO CCC[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159553983 488056995 /nfs/dbraw/zinc/05/69/95/488056995.db2.gz CXCHIEMZXOQIPT-JQWIXIFHSA-N 1 0 212.337 1.823 10 70 BDIERO CCC[C@@H](C(=O)NCCCOCC)[NH+](C)C ZINC000161190638 323161109 /nfs/dbraw/zinc/16/11/09/323161109.db2.gz CHNOHVAZYMCQQC-NSHDSACASA-N 1 0 230.352 1.260 10 70 BDIERO CC[C@@H](CCO)[NH2+]Cc1ccnc(C)n1 ZINC000217715845 134250697 /nfs/dbraw/zinc/25/06/97/134250697.db2.gz PNECNCBUSWKCJD-JTQLQIEISA-N 1 0 209.293 1.036 10 70 BDIERO CC[NH2+]CCCNc1ncccc1OC ZINC000160274739 361303259 /nfs/dbraw/zinc/30/32/59/361303259.db2.gz FHMFYAAKTACXAO-UHFFFAOYSA-N 1 0 209.293 1.502 10 70 BDIERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1CC=CC1 ZINC000160537243 541302124 /nfs/dbraw/zinc/30/21/24/541302124.db2.gz VZSSXKXYLTYSMT-GXSJLCMTSA-N 1 0 208.305 1.209 10 70 BDIERO CCC[C@@H](C(=O)Nc1ccncc1)[NH+](C)C ZINC000161296674 169346643 /nfs/dbraw/zinc/34/66/43/169346643.db2.gz WFHIRVVMYSFSSJ-NSHDSACASA-N 1 0 221.304 1.750 10 70 BDIERO CC(C)OC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000217757756 388572128 /nfs/dbraw/zinc/57/21/28/388572128.db2.gz QVZIHQDBISXJPW-VIFPVBQESA-N 1 0 214.309 1.604 10 70 BDIERO CC1(CNC(=O)[C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000160827577 168036533 /nfs/dbraw/zinc/03/65/33/168036533.db2.gz FNWYJCIBPVAVKB-UWVGGRQHSA-N 1 0 210.321 1.420 10 70 BDIERO CCC[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC000161141246 323148980 /nfs/dbraw/zinc/14/89/80/323148980.db2.gz HLEZYZRLVBDZHP-WDEREUQCSA-N 1 0 228.336 1.012 10 70 BDIERO CCC[C@H](C(=O)N1CCC[C@@H](C)C1)[NH+](C)C ZINC000161151316 323149251 /nfs/dbraw/zinc/14/92/51/323149251.db2.gz BNMMEVZRNBSWBI-VXGBXAGGSA-N 1 0 226.364 1.975 10 70 BDIERO CC[C@](C)(O)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000218062108 535858783 /nfs/dbraw/zinc/85/87/83/535858783.db2.gz PEYODGYVLXDSHY-ONGXEEELSA-N 1 0 212.293 1.795 10 70 BDIERO CCC(CC)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159553421 168382917 /nfs/dbraw/zinc/38/29/17/168382917.db2.gz LMDJCMLVSSIVRW-GFCCVEGCSA-N 1 0 212.337 1.823 10 70 BDIERO CCC[C@H](C(=O)NCCCOCC)[NH+](C)C ZINC000161190747 323162802 /nfs/dbraw/zinc/16/28/02/323162802.db2.gz CHNOHVAZYMCQQC-LLVKDONJSA-N 1 0 230.352 1.260 10 70 BDIERO Cn1nccc1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000160517685 349057008 /nfs/dbraw/zinc/05/70/08/349057008.db2.gz IPQZNZUQIJMCCB-ZDUSSCGKSA-N 1 0 249.358 1.779 10 70 BDIERO Fc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc1 ZINC000216651197 356443601 /nfs/dbraw/zinc/44/36/01/356443601.db2.gz KUXYPFITHCLXQG-SCZZXKLOSA-N 1 0 207.252 1.019 10 70 BDIERO COc1cccnc1NC[C@@H]([NH3+])C(C)C ZINC000160287451 357739188 /nfs/dbraw/zinc/73/91/88/357739188.db2.gz RVIQCZYNLVWTTI-SECBINFHSA-N 1 0 209.293 1.485 10 70 BDIERO CC[C@H](CCO)[NH2+]Cc1ccnc(C)n1 ZINC000217715926 134250348 /nfs/dbraw/zinc/25/03/48/134250348.db2.gz PNECNCBUSWKCJD-SNVBAGLBSA-N 1 0 209.293 1.036 10 70 BDIERO CCC[C@@H](C(=O)N1CCC[C@@H](C)C1)[NH+](C)C ZINC000161151200 323149167 /nfs/dbraw/zinc/14/91/67/323149167.db2.gz BNMMEVZRNBSWBI-NEPJUHHUSA-N 1 0 226.364 1.975 10 70 BDIERO CSCCCC[NH2+]Cc1cnn(C)c1C ZINC000160151014 201704939 /nfs/dbraw/zinc/70/49/39/201704939.db2.gz RVXJQLIIQFKBKT-UHFFFAOYSA-N 1 0 227.377 1.961 10 70 BDIERO Cc1ccnc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000218766948 363131235 /nfs/dbraw/zinc/13/12/35/363131235.db2.gz YESQRQAUJUIYCY-MNOVXSKESA-N 1 0 203.289 1.188 10 70 BDIERO C[C@@]1(C(=O)Nc2nccs2)CCCC[NH2+]1 ZINC000159548127 361251363 /nfs/dbraw/zinc/25/13/63/361251363.db2.gz WPZWTEKUVIPZTG-JTQLQIEISA-N 1 0 225.317 1.614 10 70 BDIERO CCC[C@@H](C(=O)N(C)Cc1cccnc1)[NH+](C)C ZINC000161226926 169343154 /nfs/dbraw/zinc/34/31/54/169343154.db2.gz NJXNKQLEUGDUSS-ZDUSSCGKSA-N 1 0 249.358 1.770 10 70 BDIERO CC(C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000159948005 323054523 /nfs/dbraw/zinc/05/45/23/323054523.db2.gz ACBNOHVODHFIMT-FRRDWIJNSA-N 1 0 238.375 1.879 10 70 BDIERO CCC[C@@H](C(=O)NCCc1ccccn1)[NH+](C)C ZINC000161182496 323150920 /nfs/dbraw/zinc/15/09/20/323150920.db2.gz QUJPVRHQIDFQMN-ZDUSSCGKSA-N 1 0 249.358 1.471 10 70 BDIERO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000160074343 179348753 /nfs/dbraw/zinc/34/87/53/179348753.db2.gz AXXQODDJHCCTRK-OLZOCXBDSA-N 1 0 246.354 1.952 10 70 BDIERO CCC[C@H](C(=O)N[C@@H](C)c1cccnc1)[NH+](C)C ZINC000161267739 349412280 /nfs/dbraw/zinc/41/22/80/349412280.db2.gz MYDGCEMUDBSRPR-WCQYABFASA-N 1 0 249.358 1.989 10 70 BDIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C ZINC000160457338 538884589 /nfs/dbraw/zinc/88/45/89/538884589.db2.gz RTZLOGXMZAQKQO-YNEHKIRRSA-N 1 0 238.375 1.879 10 70 BDIERO CC[C@H](CCO)[NH2+]Cc1cccn1CC ZINC000217719240 134250442 /nfs/dbraw/zinc/25/04/42/134250442.db2.gz UGQZSJPRBCBFPK-LLVKDONJSA-N 1 0 210.321 1.759 10 70 BDIERO C[C@@H]1COC[C@@H](C)N1C(=O)CCCCCC[NH3+] ZINC000160519460 176345485 /nfs/dbraw/zinc/34/54/85/176345485.db2.gz XNYHQEGPGMEFNR-VXGBXAGGSA-N 1 0 242.363 1.531 10 70 BDIERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1CC=CC1 ZINC000160537125 177395883 /nfs/dbraw/zinc/39/58/83/177395883.db2.gz VZSSXKXYLTYSMT-MWLCHTKSSA-N 1 0 208.305 1.209 10 70 BDIERO CCn1cnnc1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000161421901 349443511 /nfs/dbraw/zinc/44/35/11/349443511.db2.gz XOXCHCOTJFLHKM-LLVKDONJSA-N 1 0 222.336 1.886 10 70 BDIERO CC(C)[C@@H](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160388953 167355225 /nfs/dbraw/zinc/35/52/25/167355225.db2.gz JQZATHBABKQJIA-QWRGUYRKSA-N 1 0 212.337 1.618 10 70 BDIERO CCC[C@H](C(=O)N1CCCCC1)[NH+](C)C ZINC000161131290 323148783 /nfs/dbraw/zinc/14/87/83/323148783.db2.gz PJPRWCYJGASYIX-LLVKDONJSA-N 1 0 212.337 1.729 10 70 BDIERO CCC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161274213 349413826 /nfs/dbraw/zinc/41/38/26/349413826.db2.gz OABSBPWXCXABII-NSHDSACASA-N 1 0 222.336 1.887 10 70 BDIERO CC[C@@H](O)CC[NH2+]Cc1cccn1CC ZINC000218769542 170924575 /nfs/dbraw/zinc/92/45/75/170924575.db2.gz MOHGZNXHBYVMCJ-GFCCVEGCSA-N 1 0 210.321 1.759 10 70 BDIERO CCC[C@@H](C(=O)N[C@@H](C)CC)[NH+](C)C ZINC000161133097 323148878 /nfs/dbraw/zinc/14/88/78/323148878.db2.gz SEZMJUVOTZFTRU-UWVGGRQHSA-N 1 0 200.326 1.631 10 70 BDIERO CCC[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000161135620 323148969 /nfs/dbraw/zinc/14/89/69/323148969.db2.gz OEFINLWGVNBLFF-TUAOUCFPSA-N 1 0 242.363 1.353 10 70 BDIERO CC(=O)NC1CCC([NH2+][C@H]2C[C@H]2C)CC1 ZINC000161456450 538915683 /nfs/dbraw/zinc/91/56/83/538915683.db2.gz XDEXKLOOQIWPBD-RVHAWEMESA-N 1 0 210.321 1.432 10 70 BDIERO CCC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161274344 349413494 /nfs/dbraw/zinc/41/34/94/349413494.db2.gz OABSBPWXCXABII-LLVKDONJSA-N 1 0 222.336 1.887 10 70 BDIERO COc1cc(N2CC[NH+](C)CC2)ccc1NC=O ZINC000217642631 371991278 /nfs/dbraw/zinc/99/12/78/371991278.db2.gz ZYAWHKRNEDKXNT-UHFFFAOYSA-N 1 0 249.314 1.015 10 70 BDIERO CCC[C@H](C(=O)Nc1ccncc1)[NH+](C)C ZINC000161296785 384480587 /nfs/dbraw/zinc/48/05/87/384480587.db2.gz WFHIRVVMYSFSSJ-LLVKDONJSA-N 1 0 221.304 1.750 10 70 BDIERO CCCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000161155362 323149538 /nfs/dbraw/zinc/14/95/38/323149538.db2.gz OSZHMQCBPHWBJG-SNVBAGLBSA-N 1 0 200.326 1.633 10 70 BDIERO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000160074610 179350720 /nfs/dbraw/zinc/35/07/20/179350720.db2.gz AXXQODDJHCCTRK-CHWSQXEVSA-N 1 0 246.354 1.952 10 70 BDIERO Cn1nccc1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000160517811 349060613 /nfs/dbraw/zinc/06/06/13/349060613.db2.gz IPQZNZUQIJMCCB-CYBMUJFWSA-N 1 0 249.358 1.779 10 70 BDIERO O=C(C1CC[NH2+]CC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000160252288 181870988 /nfs/dbraw/zinc/87/09/88/181870988.db2.gz YUBCLZIFDGPMIQ-CHWSQXEVSA-N 1 0 236.359 1.635 10 70 BDIERO CCC[C@H](C(=O)NCc1cccnc1)[NH+](C)C ZINC000161158830 384469809 /nfs/dbraw/zinc/46/98/09/384469809.db2.gz RKOXUYXZTFZDGS-GFCCVEGCSA-N 1 0 235.331 1.428 10 70 BDIERO CCC[C@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000161160860 384470188 /nfs/dbraw/zinc/47/01/88/384470188.db2.gz TYWSGKOMZGQJQZ-LLVKDONJSA-N 1 0 221.304 1.750 10 70 BDIERO C[C@H]1C[N@H+](CCOCC2CC2)CCS1 ZINC000160582008 388075391 /nfs/dbraw/zinc/07/53/91/388075391.db2.gz SRRZBYMJKHARSX-JTQLQIEISA-N 1 0 215.362 1.850 10 70 BDIERO CC(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160704587 323103495 /nfs/dbraw/zinc/10/34/95/323103495.db2.gz PIIDCOXCNNNMTQ-NEPJUHHUSA-N 1 0 240.347 1.948 10 70 BDIERO C[C@H](C(N)=S)[N@@H+]1CCC[C@@H](C)CC1 ZINC000216820104 343259024 /nfs/dbraw/zinc/25/90/24/343259024.db2.gz AUMSQVPVKMNUCT-RKDXNWHRSA-N 1 0 200.351 1.783 10 70 BDIERO c1cn(CCN2CCC([NH+]3CCCC3)CC2)cn1 ZINC000159754662 345511873 /nfs/dbraw/zinc/51/18/73/345511873.db2.gz REHFUALBKYUHFU-UHFFFAOYSA-N 1 0 248.374 1.443 10 70 BDIERO CC[C@@](C)(O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000161142698 349374283 /nfs/dbraw/zinc/37/42/83/349374283.db2.gz GVXUKWUMFXHEAN-WCQYABFASA-N 1 0 237.347 1.370 10 70 BDIERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000161275830 349414217 /nfs/dbraw/zinc/41/42/17/349414217.db2.gz MMJNPOKJHIVATQ-LLVKDONJSA-N 1 0 238.335 1.124 10 70 BDIERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](C)CC2)C1 ZINC000216859198 357468874 /nfs/dbraw/zinc/46/88/74/357468874.db2.gz UNSXKJXABHMSSE-IJLUTSLNSA-N 1 0 240.347 1.012 10 70 BDIERO COc1cccnc1NC[C@H]([NH3+])C(C)C ZINC000160287596 357739871 /nfs/dbraw/zinc/73/98/71/357739871.db2.gz RVIQCZYNLVWTTI-VIFPVBQESA-N 1 0 209.293 1.485 10 70 BDIERO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(C)C ZINC000218282829 134252617 /nfs/dbraw/zinc/25/26/17/134252617.db2.gz BBIYDGDVKZJAKZ-UWVGGRQHSA-N 1 0 201.310 1.772 10 70 BDIERO CSCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159561280 361255964 /nfs/dbraw/zinc/25/59/64/361255964.db2.gz MKTRCVWSQXYPMG-LLVKDONJSA-N 1 0 230.377 1.388 10 70 BDIERO C[C@@H](CNC1=[NH+]CCS1)N1CCCC1 ZINC000161432014 369060172 /nfs/dbraw/zinc/06/01/72/369060172.db2.gz WQRACWKQCORDJL-VIFPVBQESA-N 1 0 213.350 1.163 10 70 BDIERO [NH3+][C@@H]1CCC[C@H](NC(=O)CC(F)(F)F)C1 ZINC000161103961 181583335 /nfs/dbraw/zinc/58/33/35/181583335.db2.gz FJWRRBCRMWUVLG-RQJHMYQMSA-N 1 0 224.226 1.325 10 70 BDIERO CSC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000160161664 388049436 /nfs/dbraw/zinc/04/94/36/388049436.db2.gz GJMJSMWRXPZXRH-UHFFFAOYSA-N 1 0 227.377 1.960 10 70 BDIERO CC[C@](C)(O)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000218062271 134251330 /nfs/dbraw/zinc/25/13/30/134251330.db2.gz PEYODGYVLXDSHY-KOLCDFICSA-N 1 0 212.293 1.795 10 70 BDIERO CCC[C@@H](C(=O)NCCC(C)C)[NH+](C)C ZINC000161164684 323149611 /nfs/dbraw/zinc/14/96/11/323149611.db2.gz UXCLRRYIABHNDJ-NSHDSACASA-N 1 0 214.353 1.879 10 70 BDIERO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000218638845 490540500 /nfs/dbraw/zinc/54/05/00/490540500.db2.gz LSENFSVIIJITSL-GARJFASQSA-N 1 0 201.310 1.305 10 70 BDIERO CCC[C@@H](C(=O)N1CCCCC1)[NH+](C)C ZINC000161131135 323148665 /nfs/dbraw/zinc/14/86/65/323148665.db2.gz PJPRWCYJGASYIX-NSHDSACASA-N 1 0 212.337 1.729 10 70 BDIERO c1cc(C2CC[NH+](C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000160534679 349110526 /nfs/dbraw/zinc/11/05/26/349110526.db2.gz BGMSZDBOHVGAJD-LBPRGKRZSA-N 1 0 235.331 1.768 10 70 BDIERO CSc1cccc(NC2=[NH+]CCN2)c1 ZINC000159712854 350984363 /nfs/dbraw/zinc/98/43/63/350984363.db2.gz ILBVSJCYVSULNK-UHFFFAOYSA-N 1 0 207.302 1.780 10 70 BDIERO CCC[C@H](C(=O)NCc1ccncc1)[NH+](C)C ZINC000161158274 384470116 /nfs/dbraw/zinc/47/01/16/384470116.db2.gz BCQXDGWCXQAVGE-GFCCVEGCSA-N 1 0 235.331 1.428 10 70 BDIERO C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160272917 384723320 /nfs/dbraw/zinc/72/33/20/384723320.db2.gz ZOEQLACFNUREDG-GIPNMCIBSA-N 1 0 246.310 1.111 10 70 BDIERO C[C@@H]1CC[C@@H](C(=O)Nc2ccncc2O)O1 ZINC000159733629 385729708 /nfs/dbraw/zinc/72/97/08/385729708.db2.gz OOFKNJWQVUEWOW-XCBNKYQSSA-N 1 0 222.244 1.293 10 70 BDIERO CCC[C@@H](C(=O)N[C@H](C)CC)[NH+](C)C ZINC000161133335 323148919 /nfs/dbraw/zinc/14/89/19/323148919.db2.gz SEZMJUVOTZFTRU-ZJUUUORDSA-N 1 0 200.326 1.631 10 70 BDIERO CCC[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159553840 488056159 /nfs/dbraw/zinc/05/61/59/488056159.db2.gz CXCHIEMZXOQIPT-PWSUYJOCSA-N 1 0 212.337 1.823 10 70 BDIERO CC[N@@H+]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1 ZINC000159885580 323051874 /nfs/dbraw/zinc/05/18/74/323051874.db2.gz VRTZIGOBLXFJGF-LLVKDONJSA-N 1 0 239.363 1.713 10 70 BDIERO CCC[C@H](C(=O)Nc1nccs1)[NH+](C)C ZINC000161321157 384478513 /nfs/dbraw/zinc/47/85/13/384478513.db2.gz BPABMRQEDZIWEP-MRVPVSSYSA-N 1 0 227.333 1.812 10 70 BDIERO CC(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159550943 388020878 /nfs/dbraw/zinc/02/08/78/388020878.db2.gz GUKFNUMDXFTVFJ-GFCCVEGCSA-N 1 0 212.337 1.681 10 70 BDIERO Cc1cnccc1C[NH2+][C@H]1CCO[C@@H]1C ZINC000160592820 388077819 /nfs/dbraw/zinc/07/78/19/388077819.db2.gz GAWABCHKWYYYPR-PWSUYJOCSA-N 1 0 206.289 1.657 10 70 BDIERO CC[N@H+](CCNC(=O)OC(C)C)C1CC1 ZINC000217755794 388572316 /nfs/dbraw/zinc/57/23/16/388572316.db2.gz NYTXAKXCGUHJBJ-UHFFFAOYSA-N 1 0 214.309 1.605 10 70 BDIERO CCC[C@@H](C(=O)NCc1ccccn1)[NH+](C)C ZINC000161157827 323075892 /nfs/dbraw/zinc/07/58/92/323075892.db2.gz BEGSINXQVDGDBY-LBPRGKRZSA-N 1 0 235.331 1.428 10 70 BDIERO c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000217541356 345744500 /nfs/dbraw/zinc/74/45/00/345744500.db2.gz XBCUILCEDBJHDI-CQSZACIVSA-N 1 0 232.327 1.598 10 70 BDIERO Cc1c(C[NH2+]C[C@H](C)C2CC2)cnn1C ZINC000160142539 541495821 /nfs/dbraw/zinc/49/58/21/541495821.db2.gz PSVPJDQWENKCDN-VIFPVBQESA-N 1 0 207.321 1.864 10 70 BDIERO [NH3+][C@@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC000161103735 384503057 /nfs/dbraw/zinc/50/30/57/384503057.db2.gz FJWRRBCRMWUVLG-RNFRBKRXSA-N 1 0 224.226 1.325 10 70 BDIERO C[C@H]1CC[C@@H](C(=O)Nc2ccncc2O)O1 ZINC000159733777 385729165 /nfs/dbraw/zinc/72/91/65/385729165.db2.gz OOFKNJWQVUEWOW-XVKPBYJWSA-N 1 0 222.244 1.293 10 70 BDIERO CCC[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000161135779 323149041 /nfs/dbraw/zinc/14/90/41/323149041.db2.gz OEFINLWGVNBLFF-GRYCIOLGSA-N 1 0 242.363 1.353 10 70 BDIERO CC(=O)NC1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC000161456822 538915671 /nfs/dbraw/zinc/91/56/71/538915671.db2.gz XDEXKLOOQIWPBD-HQIWOYNQSA-N 1 0 210.321 1.432 10 70 BDIERO CC(=O)NC1CCC([NH2+][C@H]2C[C@@H]2C)CC1 ZINC000161456588 538915834 /nfs/dbraw/zinc/91/58/34/538915834.db2.gz XDEXKLOOQIWPBD-CJIVVXGISA-N 1 0 210.321 1.432 10 70 BDIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC)C1 ZINC000161274476 349413377 /nfs/dbraw/zinc/41/33/77/349413377.db2.gz MGVFAXYOWFAPAP-SNVBAGLBSA-N 1 0 208.309 1.497 10 70 BDIERO OCC[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000159769102 350362615 /nfs/dbraw/zinc/36/26/15/350362615.db2.gz XRCSWHXHCMETJC-NEPJUHHUSA-N 1 0 213.321 1.260 10 70 BDIERO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000218638691 490540443 /nfs/dbraw/zinc/54/04/43/490540443.db2.gz LSENFSVIIJITSL-HBNTYKKESA-N 1 0 201.310 1.305 10 70 BDIERO CCN(CC[NH3+])c1ccncc1Br ZINC000160024546 361297251 /nfs/dbraw/zinc/29/72/51/361297251.db2.gz PKENDOWSUXOEOV-UHFFFAOYSA-N 1 0 244.136 1.629 10 70 BDIERO Cc1ccc(O)c(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000217747433 385891334 /nfs/dbraw/zinc/89/13/34/385891334.db2.gz CMXQJJNMQROHPL-GWCFXTLKSA-N 1 0 249.358 1.478 10 70 BDIERO CC(C)[C@@H](C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160388705 167355426 /nfs/dbraw/zinc/35/54/26/167355426.db2.gz JQZATHBABKQJIA-WDEREUQCSA-N 1 0 212.337 1.618 10 70 BDIERO CC[C@@H](CSC)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000217332536 170852294 /nfs/dbraw/zinc/85/22/94/170852294.db2.gz UUSWZRDMMQIHPM-ZJUUUORDSA-N 1 0 230.377 1.244 10 70 BDIERO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000161142583 349374460 /nfs/dbraw/zinc/37/44/60/349374460.db2.gz GVXUKWUMFXHEAN-AAEUAGOBSA-N 1 0 237.347 1.370 10 70 BDIERO CCC(CC)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000160565504 357070271 /nfs/dbraw/zinc/07/02/71/357070271.db2.gz AZQMVHKLCQCULQ-GFCCVEGCSA-N 1 0 241.379 1.768 10 70 BDIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C ZINC000160456953 538884560 /nfs/dbraw/zinc/88/45/60/538884560.db2.gz RTZLOGXMZAQKQO-UPJWGTAASA-N 1 0 238.375 1.879 10 70 BDIERO C[C@@H](CNc1nncs1)[NH+]1CCCC1 ZINC000161289776 363923456 /nfs/dbraw/zinc/92/34/56/363923456.db2.gz GAAZSGHZMQBWIU-QMMMGPOBSA-N 1 0 212.322 1.434 10 70 BDIERO CC[C@H](C(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217576433 371981187 /nfs/dbraw/zinc/98/11/87/371981187.db2.gz MEVZMIJYMCYNBN-DTWKUNHWSA-N 1 0 216.350 1.162 10 70 BDIERO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000218062024 134251532 /nfs/dbraw/zinc/25/15/32/134251532.db2.gz PEYODGYVLXDSHY-GXSJLCMTSA-N 1 0 212.293 1.795 10 70 BDIERO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)C(C)C ZINC000161379451 173379949 /nfs/dbraw/zinc/37/99/49/173379949.db2.gz AGHMOJMLSTXMLD-NWDGAFQWSA-N 1 0 226.364 1.879 10 70 BDIERO C[NH2+][C@H](C)C(=O)Nc1c(C)cccc1F ZINC000160323205 323064842 /nfs/dbraw/zinc/06/48/42/323064842.db2.gz WKOBZUNKTZVBSE-MRVPVSSYSA-N 1 0 210.252 1.681 10 70 BDIERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000159635078 488071732 /nfs/dbraw/zinc/07/17/32/488071732.db2.gz WFNKKSNTPUWFSH-TUAOUCFPSA-N 1 0 240.347 1.141 10 70 BDIERO CCC(CC)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159553312 168384778 /nfs/dbraw/zinc/38/47/78/168384778.db2.gz LMDJCMLVSSIVRW-LBPRGKRZSA-N 1 0 212.337 1.823 10 70 BDIERO CCC[C@H](C(=O)N(C)Cc1ccco1)[NH+](C)C ZINC000160831530 384439372 /nfs/dbraw/zinc/43/93/72/384439372.db2.gz WNFBYAFPGJHJCC-GFCCVEGCSA-N 1 0 238.331 1.968 10 70 BDIERO Cc1ccc(O)c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000217747356 385890745 /nfs/dbraw/zinc/89/07/45/385890745.db2.gz CMXQJJNMQROHPL-MFKMUULPSA-N 1 0 249.358 1.478 10 70 BDIERO CC(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159550806 166856175 /nfs/dbraw/zinc/85/61/75/166856175.db2.gz GUKFNUMDXFTVFJ-LBPRGKRZSA-N 1 0 212.337 1.681 10 70 BDIERO COc1cc(O)cc2c1[C@@H](C)[NH2+][C@H](C)C2 ZINC000218047648 175006408 /nfs/dbraw/zinc/00/64/08/175006408.db2.gz RNCDEHUVRUVRIQ-HTQZYQBOSA-N 1 0 207.273 1.996 10 70 BDIERO COc1cc(O)cc2c1[C@@H](C)[NH2+][C@@H](C)C2 ZINC000218047718 175006494 /nfs/dbraw/zinc/00/64/94/175006494.db2.gz RNCDEHUVRUVRIQ-JGVFFNPUSA-N 1 0 207.273 1.996 10 70 BDIERO C[C@H](O)C(C)(C)[NH2+]CC1CCOCC1 ZINC000161117316 176947299 /nfs/dbraw/zinc/94/72/99/176947299.db2.gz WWUYIOZNKFPKOS-VIFPVBQESA-N 1 0 201.310 1.162 10 70 BDIERO CCS(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160262167 323064596 /nfs/dbraw/zinc/06/45/96/323064596.db2.gz NFEXVOUDCAXANF-LLVKDONJSA-N 1 0 248.392 1.046 10 70 BDIERO CCC[C@H](C(=O)NCCc1ccccn1)[NH+](C)C ZINC000161182613 323150934 /nfs/dbraw/zinc/15/09/34/323150934.db2.gz QUJPVRHQIDFQMN-CYBMUJFWSA-N 1 0 249.358 1.471 10 70 BDIERO CCC[N@H+](CC)CCNC(=O)n1ccnc1 ZINC000218606139 583173931 /nfs/dbraw/zinc/17/39/31/583173931.db2.gz ZNCLCTPMAUIHRG-UHFFFAOYSA-N 1 0 224.308 1.173 10 70 BDIERO NC(=S)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000217926720 372031128 /nfs/dbraw/zinc/03/11/28/372031128.db2.gz NZSKPSOZHJXHLX-NXEZZACHSA-N 1 0 212.362 1.785 10 70 BDIERO CCC[NH2+]CCNCc1cncc(F)c1 ZINC000160126233 169259682 /nfs/dbraw/zinc/25/96/82/169259682.db2.gz IBKWXGZKCABKFV-UHFFFAOYSA-N 1 0 211.284 1.310 10 70 BDIERO CCC[C@@H](C(=O)Nc1nccs1)[NH+](C)C ZINC000161321012 169346421 /nfs/dbraw/zinc/34/64/21/169346421.db2.gz BPABMRQEDZIWEP-QMMMGPOBSA-N 1 0 227.333 1.812 10 70 BDIERO C[C@@H]1COC[C@H](C)N1C(=O)CCCCCC[NH3+] ZINC000160519197 177298076 /nfs/dbraw/zinc/29/80/76/177298076.db2.gz XNYHQEGPGMEFNR-TXEJJXNPSA-N 1 0 242.363 1.531 10 70 BDIERO CSCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159561423 345442828 /nfs/dbraw/zinc/44/28/28/345442828.db2.gz MKTRCVWSQXYPMG-NSHDSACASA-N 1 0 230.377 1.388 10 70 BDIERO NC(=S)[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000159619914 350953405 /nfs/dbraw/zinc/95/34/05/350953405.db2.gz PAIDCUKSNNHFRV-MRVPVSSYSA-N 1 0 227.358 1.394 10 70 BDIERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC1 ZINC000160794309 358626632 /nfs/dbraw/zinc/62/66/32/358626632.db2.gz PEARAZZLZOLOSG-NSHDSACASA-N 1 0 237.347 1.419 10 70 BDIERO CC(C)[C@@H]1CCN(C(=O)n2cc[n+](C)c2)C1 ZINC000161339380 368062811 /nfs/dbraw/zinc/06/28/11/368062811.db2.gz OZXINMHDVAAPBO-LLVKDONJSA-N 1 0 222.312 1.259 10 70 BDIERO CCC[C@@H]1C[NH+]=C(N[C@@H]2CCOC2)S1 ZINC000218109189 372062939 /nfs/dbraw/zinc/06/29/39/372062939.db2.gz YPGLKBBRLXIRGT-RKDXNWHRSA-N 1 0 214.334 1.636 10 70 BDIERO CCC[C@@H](C(=O)N(C)Cc1ccncc1)[NH+](C)C ZINC000161393252 169342832 /nfs/dbraw/zinc/34/28/32/169342832.db2.gz JNHDEULCXLFPQP-ZDUSSCGKSA-N 1 0 249.358 1.770 10 70 BDIERO CC1(CNC(=O)[C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000160827837 168036354 /nfs/dbraw/zinc/03/63/54/168036354.db2.gz FNWYJCIBPVAVKB-VHSXEESVSA-N 1 0 210.321 1.420 10 70 BDIERO CCCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000161155494 323149468 /nfs/dbraw/zinc/14/94/68/323149468.db2.gz OSZHMQCBPHWBJG-JTQLQIEISA-N 1 0 200.326 1.633 10 70 BDIERO CCC[C@@H](C(=O)N[C@H](C)c1cccnc1)[NH+](C)C ZINC000161267832 349412396 /nfs/dbraw/zinc/41/23/96/349412396.db2.gz MYDGCEMUDBSRPR-YPMHNXCESA-N 1 0 249.358 1.989 10 70 BDIERO C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217597743 357909048 /nfs/dbraw/zinc/90/90/48/357909048.db2.gz YLDCMDHQRJBMDD-LMLFDSFASA-N 1 0 212.337 1.535 10 70 BDIERO COC1(C(=[NH2+])NC(C)C)CCOCC1 ZINC000160937156 359405606 /nfs/dbraw/zinc/40/56/06/359405606.db2.gz BQCZBISJTZIZIM-UHFFFAOYSA-N 1 0 200.282 1.157 10 70 BDIERO C[C@H](CNc1ncns1)[NH+]1CCCC1 ZINC000161323975 364686488 /nfs/dbraw/zinc/68/64/88/364686488.db2.gz XVOHHNMMUVDEAU-MRVPVSSYSA-N 1 0 212.322 1.434 10 70 BDIERO CCC[C@@H](C(=O)NCc1ccncc1)[NH+](C)C ZINC000161158195 169344971 /nfs/dbraw/zinc/34/49/71/169344971.db2.gz BCQXDGWCXQAVGE-LBPRGKRZSA-N 1 0 235.331 1.428 10 70 BDIERO CCC[C@@H](C(=O)N[C@H](C)C(C)C)[NH+](C)C ZINC000161398038 387210126 /nfs/dbraw/zinc/21/01/26/387210126.db2.gz CLEXALAQBOOPCA-MNOVXSKESA-N 1 0 214.353 1.877 10 70 BDIERO Cn1cc([C@@H]2CCC[N@@H+]2CCOCC2CC2)cn1 ZINC000160519828 388071786 /nfs/dbraw/zinc/07/17/86/388071786.db2.gz JKVJUCVWBQNFSA-AWEZNQCLSA-N 1 0 249.358 1.984 10 70 BDIERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O ZINC000217696959 490481111 /nfs/dbraw/zinc/48/11/11/490481111.db2.gz YXNPRTSEOFLVJK-BBBLOLIVSA-N 1 0 212.337 1.665 10 70 BDIERO C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCC[NH3+] ZINC000160104552 345797447 /nfs/dbraw/zinc/79/74/47/345797447.db2.gz JHWUFCMAXBSHKB-CABZTGNLSA-N 1 0 234.299 1.016 10 70 BDIERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCC[NH3+] ZINC000160104690 345798857 /nfs/dbraw/zinc/79/88/57/345798857.db2.gz JHWUFCMAXBSHKB-BXKDBHETSA-N 1 0 234.299 1.016 10 70 BDIERO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000160074206 179330154 /nfs/dbraw/zinc/33/01/54/179330154.db2.gz AXXQODDJHCCTRK-STQMWFEESA-N 1 0 246.354 1.952 10 70 BDIERO CCC[C@H](C(=O)N[C@H](C)c1cccnc1)[NH+](C)C ZINC000161267957 349412225 /nfs/dbraw/zinc/41/22/25/349412225.db2.gz MYDGCEMUDBSRPR-DGCLKSJQSA-N 1 0 249.358 1.989 10 70 BDIERO Nc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161270180 349413182 /nfs/dbraw/zinc/41/31/82/349413182.db2.gz LMKDEEADITZJEK-ZACCUICWSA-N 1 0 245.326 1.282 10 70 BDIERO Cc1cnccc1C[NH2+][C@@H]1CCO[C@H]1C ZINC000160592941 361321504 /nfs/dbraw/zinc/32/15/04/361321504.db2.gz GAWABCHKWYYYPR-CMPLNLGQSA-N 1 0 206.289 1.657 10 70 BDIERO CCC[C@@H](C(=O)N(C)Cc1ccco1)[NH+](C)C ZINC000160831387 169342545 /nfs/dbraw/zinc/34/25/45/169342545.db2.gz WNFBYAFPGJHJCC-LBPRGKRZSA-N 1 0 238.331 1.968 10 70 BDIERO CCC[C@H](C(=O)N(C)Cc1cccnc1)[NH+](C)C ZINC000161227042 384477195 /nfs/dbraw/zinc/47/71/95/384477195.db2.gz NJXNKQLEUGDUSS-CYBMUJFWSA-N 1 0 249.358 1.770 10 70 BDIERO CCC[C@H](C(=O)N[C@H](C)C(C)C)[NH+](C)C ZINC000161398173 387208923 /nfs/dbraw/zinc/20/89/23/387208923.db2.gz CLEXALAQBOOPCA-GHMZBOCLSA-N 1 0 214.353 1.877 10 70 BDIERO CCC[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC000161141125 323149023 /nfs/dbraw/zinc/14/90/23/323149023.db2.gz HLEZYZRLVBDZHP-QWRGUYRKSA-N 1 0 228.336 1.012 10 70 BDIERO CC[C@@H](C)[N@H+](C)CCNC(=O)n1ccnc1 ZINC000218607328 583174281 /nfs/dbraw/zinc/17/42/81/583174281.db2.gz HVIGLYXAPLDZRP-SNVBAGLBSA-N 1 0 224.308 1.171 10 70 BDIERO c1csc(N[C@H]2CC[N@@H+]3CCC[C@@H]23)n1 ZINC000217355307 346483918 /nfs/dbraw/zinc/48/39/18/346483918.db2.gz PGOXLSBRTIWMEU-IUCAKERBSA-N 1 0 209.318 1.792 10 70 BDIERO COC(=O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000217345659 384184193 /nfs/dbraw/zinc/18/41/93/384184193.db2.gz UCIIUEDTTDKXDL-GHMZBOCLSA-N 1 0 227.304 1.193 10 70 BDIERO CCC[C@@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC000161141354 323149050 /nfs/dbraw/zinc/14/90/50/323149050.db2.gz HLEZYZRLVBDZHP-MNOVXSKESA-N 1 0 228.336 1.012 10 70 BDIERO CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)[nH]n1 ZINC000159465440 488032735 /nfs/dbraw/zinc/03/27/35/488032735.db2.gz WYSMPILIGPATQQ-MRVPVSSYSA-N 1 0 210.281 1.038 10 70 BDIERO C[C@@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161073516 349367071 /nfs/dbraw/zinc/36/70/71/349367071.db2.gz GONDALPHYFOLHX-MRVPVSSYSA-N 1 0 248.261 1.297 10 70 BDIERO CCn1cnnc1[C@H]1CCC[N@H+](CCOC)C1 ZINC000161275962 349414156 /nfs/dbraw/zinc/41/41/56/349414156.db2.gz MMJNPOKJHIVATQ-NSHDSACASA-N 1 0 238.335 1.124 10 70 BDIERO OCC[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000159768987 361288361 /nfs/dbraw/zinc/28/83/61/361288361.db2.gz XRCSWHXHCMETJC-VXGBXAGGSA-N 1 0 213.321 1.260 10 70 BDIERO [NH3+]CCN(Cc1ccccc1)C(=O)NC1CCC1 ZINC000160847573 181390547 /nfs/dbraw/zinc/39/05/47/181390547.db2.gz BIWXQIGPJAYDFM-UHFFFAOYSA-N 1 0 247.342 1.709 10 70 BDIERO C[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161073267 133511838 /nfs/dbraw/zinc/51/18/38/133511838.db2.gz GONDALPHYFOLHX-QMMMGPOBSA-N 1 0 248.261 1.297 10 70 BDIERO CCC[C@@H](C(=O)NCC(C)C)[NH+](C)C ZINC000161175548 323075841 /nfs/dbraw/zinc/07/58/41/323075841.db2.gz RQKCVHLAZZYYHK-JTQLQIEISA-N 1 0 200.326 1.489 10 70 BDIERO CCC[C@H](C(=O)NCc1ccccn1)[NH+](C)C ZINC000161157941 323149480 /nfs/dbraw/zinc/14/94/80/323149480.db2.gz BEGSINXQVDGDBY-GFCCVEGCSA-N 1 0 235.331 1.428 10 70 BDIERO CCC[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159554246 488055665 /nfs/dbraw/zinc/05/56/65/488055665.db2.gz CXCHIEMZXOQIPT-CMPLNLGQSA-N 1 0 212.337 1.823 10 70 BDIERO CC[C@H](C)[N@H+](C)CCNC(=O)n1ccnc1 ZINC000218607399 592167536 /nfs/dbraw/zinc/16/75/36/592167536.db2.gz HVIGLYXAPLDZRP-JTQLQIEISA-N 1 0 224.308 1.171 10 70 BDIERO C[C@H](CNc1nncs1)[NH+]1CCCC1 ZINC000161289895 346483511 /nfs/dbraw/zinc/48/35/11/346483511.db2.gz GAAZSGHZMQBWIU-MRVPVSSYSA-N 1 0 212.322 1.434 10 70 BDIERO COC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000218743792 134260073 /nfs/dbraw/zinc/26/00/73/134260073.db2.gz OEWGVLVYQFPCME-GARJFASQSA-N 1 0 200.326 1.094 10 70 BDIERO Cc1c[nH+]ccc1N1CC[C@@H](CCO)C1 ZINC000159749236 361286341 /nfs/dbraw/zinc/28/63/41/361286341.db2.gz STXVLEFOCMAQFW-NSHDSACASA-N 1 0 206.289 1.599 10 70 BDIERO Cc1cnccc1C[NH2+][C@H]1CCO[C@H]1C ZINC000160593070 361321139 /nfs/dbraw/zinc/32/11/39/361321139.db2.gz GAWABCHKWYYYPR-JQWIXIFHSA-N 1 0 206.289 1.657 10 70 BDIERO CC(C)[C@H]1CCN(C(=O)n2cc[n+](C)c2)C1 ZINC000161339505 368062775 /nfs/dbraw/zinc/06/27/75/368062775.db2.gz OZXINMHDVAAPBO-NSHDSACASA-N 1 0 222.312 1.259 10 70 BDIERO CCC[C@@H](C(=O)Nc1ccn(C)n1)[NH+](C)C ZINC000161330741 169346498 /nfs/dbraw/zinc/34/64/98/169346498.db2.gz XIXYOYUOFKJWMS-VIFPVBQESA-N 1 0 224.308 1.089 10 70 BDIERO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160272660 384719449 /nfs/dbraw/zinc/71/94/49/384719449.db2.gz ZOEQLACFNUREDG-BREBYQMCSA-N 1 0 246.310 1.111 10 70 BDIERO C[C@H]1CC[C@H](C(=O)Nc2ccncc2O)O1 ZINC000159733502 385729942 /nfs/dbraw/zinc/72/99/42/385729942.db2.gz OOFKNJWQVUEWOW-OIBJUYFYSA-N 1 0 222.244 1.293 10 70 BDIERO CCC[C@H](C(=O)N(CC)CC)[NH+](C)C ZINC000161435521 387211535 /nfs/dbraw/zinc/21/15/35/387211535.db2.gz GVMCJMHIGWZHIF-SNVBAGLBSA-N 1 0 200.326 1.585 10 70 BDIERO CC[N@@H+]1CCC[C@H](NC(=O)NC2(C)CCC2)C1 ZINC000159885452 323052004 /nfs/dbraw/zinc/05/20/04/323052004.db2.gz VRTZIGOBLXFJGF-NSHDSACASA-N 1 0 239.363 1.713 10 70 BDIERO CC[C@H](O)CC[NH2+]Cc1ccnc(C)n1 ZINC000218766934 535976811 /nfs/dbraw/zinc/97/68/11/535976811.db2.gz MSMSLGXIBFFMKR-NSHDSACASA-N 1 0 209.293 1.036 10 70 BDIERO CCC[C@@H](C(=O)N[C@@H](C)c1cccnc1)[NH+](C)C ZINC000161267642 349412254 /nfs/dbraw/zinc/41/22/54/349412254.db2.gz MYDGCEMUDBSRPR-AAEUAGOBSA-N 1 0 249.358 1.989 10 70 BDIERO CC[C@@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160480435 361311848 /nfs/dbraw/zinc/31/18/48/361311848.db2.gz RKLKSIILYAOHTG-UPJWGTAASA-N 1 0 227.348 1.384 10 70 BDIERO C[C@@H](CNc1ncns1)[NH+]1CCCC1 ZINC000161323849 364686565 /nfs/dbraw/zinc/68/65/65/364686565.db2.gz XVOHHNMMUVDEAU-QMMMGPOBSA-N 1 0 212.322 1.434 10 70 BDIERO C[C@H](CC(N)=S)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217576175 371981447 /nfs/dbraw/zinc/98/14/47/371981447.db2.gz RSLKXKMPYLYTMX-BDAKNGLRSA-N 1 0 216.350 1.162 10 70 BDIERO CCC[C@@H](C(=O)NCc1cccnc1)[NH+](C)C ZINC000161158723 169345480 /nfs/dbraw/zinc/34/54/80/169345480.db2.gz RKOXUYXZTFZDGS-LBPRGKRZSA-N 1 0 235.331 1.428 10 70 BDIERO CCC[C@H](C(=O)NCc1ccco1)[NH+](C)C ZINC000161130867 384466782 /nfs/dbraw/zinc/46/67/82/384466782.db2.gz ZRGFFFKHIQUWDT-LLVKDONJSA-N 1 0 224.304 1.626 10 70 BDIERO CCC[C@@H](C(=O)N[C@@H](C)C(C)C)[NH+](C)C ZINC000161397768 387210349 /nfs/dbraw/zinc/21/03/49/387210349.db2.gz CLEXALAQBOOPCA-QWRGUYRKSA-N 1 0 214.353 1.877 10 70 BDIERO CCC[C@@H](C(=O)N1CCC[C@H](C)C1)[NH+](C)C ZINC000161150947 323075869 /nfs/dbraw/zinc/07/58/69/323075869.db2.gz BNMMEVZRNBSWBI-RYUDHWBXSA-N 1 0 226.364 1.975 10 70 BDIERO c1csc(N[C@@H]2CC[N@@H+]3CCC[C@@H]23)n1 ZINC000217355223 346472487 /nfs/dbraw/zinc/47/24/87/346472487.db2.gz PGOXLSBRTIWMEU-BDAKNGLRSA-N 1 0 209.318 1.792 10 70 BDIERO CCC[C@H](C(=O)N1CCC(C)CC1)[NH+](C)C ZINC000161187768 323151344 /nfs/dbraw/zinc/15/13/44/323151344.db2.gz QOMNNRHQGPTTGI-GFCCVEGCSA-N 1 0 226.364 1.975 10 70 BDIERO O=C([C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000160255261 182617609 /nfs/dbraw/zinc/61/76/09/182617609.db2.gz CQRLOVXEGITNCZ-UPJWGTAASA-N 1 0 236.359 1.635 10 70 BDIERO C[C@H](O)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216977024 134187580 /nfs/dbraw/zinc/18/75/80/134187580.db2.gz GYXBIYYXXHTZNT-QJPTWQEYSA-N 1 0 213.321 1.401 10 70 BDIERO CC[C@@](C)(O)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000218062183 134251485 /nfs/dbraw/zinc/25/14/85/134251485.db2.gz PEYODGYVLXDSHY-MWLCHTKSSA-N 1 0 212.293 1.795 10 70 BDIERO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)C(C)C ZINC000161379856 173368614 /nfs/dbraw/zinc/36/86/14/173368614.db2.gz AGHMOJMLSTXMLD-NEPJUHHUSA-N 1 0 226.364 1.879 10 70 BDIERO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)C(C)C ZINC000161379565 173379974 /nfs/dbraw/zinc/37/99/74/173379974.db2.gz AGHMOJMLSTXMLD-VXGBXAGGSA-N 1 0 226.364 1.879 10 70 BDIERO CCC[C@H](C(=O)NCC(C)C)[NH+](C)C ZINC000161175670 323150118 /nfs/dbraw/zinc/15/01/18/323150118.db2.gz RQKCVHLAZZYYHK-SNVBAGLBSA-N 1 0 200.326 1.489 10 70 BDIERO CC(C)Oc1cncc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000217133092 345744531 /nfs/dbraw/zinc/74/45/31/345744531.db2.gz RZLJWCFQGMAJOH-MNOVXSKESA-N 1 0 248.330 1.062 10 70 BDIERO CCC(CC)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000160565375 346457925 /nfs/dbraw/zinc/45/79/25/346457925.db2.gz AZQMVHKLCQCULQ-LBPRGKRZSA-N 1 0 241.379 1.768 10 70 BDIERO CCC[C@H](C(=O)N[C@@H](C)CC)[NH+](C)C ZINC000161133219 323148926 /nfs/dbraw/zinc/14/89/26/323148926.db2.gz SEZMJUVOTZFTRU-VHSXEESVSA-N 1 0 200.326 1.631 10 70 BDIERO COc1cccnc1NCC[NH2+]C1CC1 ZINC000160280031 357272826 /nfs/dbraw/zinc/27/28/26/357272826.db2.gz UOMDNVKIFDONJX-UHFFFAOYSA-N 1 0 207.277 1.254 10 70 BDIERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC1 ZINC000160794438 358626624 /nfs/dbraw/zinc/62/66/24/358626624.db2.gz PEARAZZLZOLOSG-LLVKDONJSA-N 1 0 237.347 1.419 10 70 BDIERO COc1cccnc1NC[C@H]([NH3+])C1CC1 ZINC000160296800 361304333 /nfs/dbraw/zinc/30/43/33/361304333.db2.gz QDGQOKALUINZKN-VIFPVBQESA-N 1 0 207.277 1.239 10 70 BDIERO CCC[C@@H]1C[NH+]=C(N[C@H]2CCOC2)S1 ZINC000218109330 372062784 /nfs/dbraw/zinc/06/27/84/372062784.db2.gz YPGLKBBRLXIRGT-DTWKUNHWSA-N 1 0 214.334 1.636 10 70 BDIERO CCC[C@H](C(=O)Nc1ccn(C)n1)[NH+](C)C ZINC000161330831 384483066 /nfs/dbraw/zinc/48/30/66/384483066.db2.gz XIXYOYUOFKJWMS-SECBINFHSA-N 1 0 224.308 1.089 10 70 BDIERO CCC[C@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC000161141475 323149031 /nfs/dbraw/zinc/14/90/31/323149031.db2.gz HLEZYZRLVBDZHP-GHMZBOCLSA-N 1 0 228.336 1.012 10 70 BDIERO c1cc(C2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000160534784 349111120 /nfs/dbraw/zinc/11/11/20/349111120.db2.gz BGMSZDBOHVGAJD-GFCCVEGCSA-N 1 0 235.331 1.768 10 70 BDIERO CC[C@@H](CCO)[NH2+]Cc1cccn1CC ZINC000217719158 134250569 /nfs/dbraw/zinc/25/05/69/134250569.db2.gz UGQZSJPRBCBFPK-NSHDSACASA-N 1 0 210.321 1.759 10 70 BDIERO C[C@H]1COC[C@H](C)N1C(=O)CCCCCC[NH3+] ZINC000160519312 177299427 /nfs/dbraw/zinc/29/94/27/177299427.db2.gz XNYHQEGPGMEFNR-RYUDHWBXSA-N 1 0 242.363 1.531 10 70 BDIERO CC(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000160704709 323103498 /nfs/dbraw/zinc/10/34/98/323103498.db2.gz PIIDCOXCNNNMTQ-NWDGAFQWSA-N 1 0 240.347 1.948 10 70 BDIERO CCC[C@H]([NH3+])C(=O)Nc1cc(CC)[nH]n1 ZINC000159465310 488032439 /nfs/dbraw/zinc/03/24/39/488032439.db2.gz WYSMPILIGPATQQ-QMMMGPOBSA-N 1 0 210.281 1.038 10 70 BDIERO CC(=O)NC1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC000161456709 538915710 /nfs/dbraw/zinc/91/57/10/538915710.db2.gz XDEXKLOOQIWPBD-OZOYIQBDSA-N 1 0 210.321 1.432 10 70 BDIERO CCC[C@@H](C(=O)N(CC)CC)[NH+](C)C ZINC000161435392 387211585 /nfs/dbraw/zinc/21/15/85/387211585.db2.gz GVMCJMHIGWZHIF-JTQLQIEISA-N 1 0 200.326 1.585 10 70 BDIERO Cc1c[nH+]ccc1N1CC[C@H](CCO)C1 ZINC000159749099 134789048 /nfs/dbraw/zinc/78/90/48/134789048.db2.gz STXVLEFOCMAQFW-LLVKDONJSA-N 1 0 206.289 1.599 10 70 BDIERO C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC[NH3+] ZINC000160104812 134799175 /nfs/dbraw/zinc/79/91/75/134799175.db2.gz JHWUFCMAXBSHKB-JOYOIKCWSA-N 1 0 234.299 1.016 10 70 BDIERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC=CC1 ZINC000160537383 177394914 /nfs/dbraw/zinc/39/49/14/177394914.db2.gz VZSSXKXYLTYSMT-KOLCDFICSA-N 1 0 208.305 1.209 10 70 BDIERO CCC[C@@H](C(=O)NCC(F)(F)F)[NH+](C)C ZINC000161437701 323075983 /nfs/dbraw/zinc/07/59/83/323075983.db2.gz OKHLSGCUROVBSC-ZETCQYMHSA-N 1 0 226.242 1.395 10 70 BDIERO