smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)Cc1nn(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)c2c1CCNC2 ZINC001164682124 719603603 /nfs/dbraw/zinc/60/36/03/719603603.db2.gz BNOXOURDPIBBJI-UHFFFAOYSA-N 1 3 433.582 0.240 20 0 ICADHO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)C1 ZINC001164872779 721263264 /nfs/dbraw/zinc/26/32/64/721263264.db2.gz FWOUBDBJOORJDW-UHFFFAOYSA-N 1 3 431.585 0.235 20 0 ICADHO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)C1 ZINC001164872779 721263258 /nfs/dbraw/zinc/26/32/58/721263258.db2.gz FWOUBDBJOORJDW-UHFFFAOYSA-N 1 3 431.585 0.235 20 0 ICADHO CCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(N2CCOCC2)n1 ZINC001164872915 721279657 /nfs/dbraw/zinc/27/96/57/721279657.db2.gz IGTODTSVXVXBKN-UHFFFAOYSA-N 1 3 446.596 0.883 20 0 ICADHO CCc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(N2CCOCC2)n1 ZINC001164872915 721279652 /nfs/dbraw/zinc/27/96/52/721279652.db2.gz IGTODTSVXVXBKN-UHFFFAOYSA-N 1 3 446.596 0.883 20 0 ICADHO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001466572031 1068975018 /nfs/dbraw/zinc/97/50/18/1068975018.db2.gz HQYAXIKCSWOTJN-HNNXBMFYSA-N 1 3 440.390 0.963 20 0 ICADHO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001466572031 1068975016 /nfs/dbraw/zinc/97/50/16/1068975016.db2.gz HQYAXIKCSWOTJN-HNNXBMFYSA-N 1 3 440.390 0.963 20 0 ICADHO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001466572032 1068975158 /nfs/dbraw/zinc/97/51/58/1068975158.db2.gz HQYAXIKCSWOTJN-OAHLLOKOSA-N 1 3 440.390 0.963 20 0 ICADHO CN1CCN(c2ncc(Br)cc2NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001466572032 1068975150 /nfs/dbraw/zinc/97/51/50/1068975150.db2.gz HQYAXIKCSWOTJN-OAHLLOKOSA-N 1 3 440.390 0.963 20 0 ICADHO CCN1CCC([NH+]2CCC(C(=O)N(CCN3CCN(C)CC3)CC(=O)OC)CC2)CC1 ZINC001467509536 1069012305 /nfs/dbraw/zinc/01/23/05/1069012305.db2.gz XSEZOJOFURYWKP-UHFFFAOYSA-N 1 3 437.629 0.432 20 0 ICADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC001467602761 1069017383 /nfs/dbraw/zinc/01/73/83/1069017383.db2.gz DPMISAGQCYRLDQ-UHFFFAOYSA-N 1 3 430.597 0.740 20 0 ICADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)CC2)CC1 ZINC001468410719 1069116601 /nfs/dbraw/zinc/11/66/01/1069116601.db2.gz IAEQMJQFVXCBIK-UHFFFAOYSA-N 1 3 435.594 0.960 20 0 ICADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001469129549 1069200804 /nfs/dbraw/zinc/20/08/04/1069200804.db2.gz KWLFZVQDBHOZHV-YADHBBJMSA-N 1 3 429.565 0.999 20 0 ICADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3OCC(=O)N(C)[C@@H]3c3cccnc3)CC2)CC1 ZINC001469129549 1069200792 /nfs/dbraw/zinc/20/07/92/1069200792.db2.gz KWLFZVQDBHOZHV-YADHBBJMSA-N 1 3 429.565 0.999 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001470026749 1069272906 /nfs/dbraw/zinc/27/29/06/1069272906.db2.gz REVHSQPDFIRMGT-INIZCTEOSA-N 1 3 441.598 0.172 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001470026749 1069272892 /nfs/dbraw/zinc/27/28/92/1069272892.db2.gz REVHSQPDFIRMGT-INIZCTEOSA-N 1 3 441.598 0.172 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771204 1069352275 /nfs/dbraw/zinc/35/22/75/1069352275.db2.gz DVOBPMFTUDKUAE-ROUUACIJSA-N 1 3 445.564 0.965 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771204 1069352268 /nfs/dbraw/zinc/35/22/68/1069352268.db2.gz DVOBPMFTUDKUAE-ROUUACIJSA-N 1 3 445.564 0.965 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771205 1069352571 /nfs/dbraw/zinc/35/25/71/1069352571.db2.gz DVOBPMFTUDKUAE-ZWKOTPCHSA-N 1 3 445.564 0.965 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC001470771205 1069352562 /nfs/dbraw/zinc/35/25/62/1069352562.db2.gz DVOBPMFTUDKUAE-ZWKOTPCHSA-N 1 3 445.564 0.965 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001470772062 1069352647 /nfs/dbraw/zinc/35/26/47/1069352647.db2.gz JBHZWGFFGOLRAZ-KRWDZBQOSA-N 1 3 440.614 0.438 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001470772062 1069352632 /nfs/dbraw/zinc/35/26/32/1069352632.db2.gz JBHZWGFFGOLRAZ-KRWDZBQOSA-N 1 3 440.614 0.438 20 0 ICADHO COC(=O)[C@H]1CN(C)CCN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001471322869 1069417196 /nfs/dbraw/zinc/41/71/96/1069417196.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 1 3 441.573 0.722 20 0 ICADHO COC(=O)[C@@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC001471322869 1069417195 /nfs/dbraw/zinc/41/71/95/1069417195.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 1 3 441.573 0.722 20 0 ICADHO COC(=O)[C@@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+](C)C1 ZINC001471322869 1069417190 /nfs/dbraw/zinc/41/71/90/1069417190.db2.gz RBHOSUXMBAPXRN-INIZCTEOSA-N 1 3 441.573 0.722 20 0 ICADHO COC(=O)[C@@H]1CN(C)CCN(C(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001471322870 1069417173 /nfs/dbraw/zinc/41/71/73/1069417173.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 1 3 441.573 0.722 20 0 ICADHO COC(=O)[C@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@@H+](C)C1 ZINC001471322870 1069417171 /nfs/dbraw/zinc/41/71/71/1069417171.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 1 3 441.573 0.722 20 0 ICADHO COC(=O)[C@H]1CN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC[N@H+](C)C1 ZINC001471322870 1069417167 /nfs/dbraw/zinc/41/71/67/1069417167.db2.gz RBHOSUXMBAPXRN-MRXNPFEDSA-N 1 3 441.573 0.722 20 0 ICADHO CN(CC(N)=O)C(=O)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC001476554584 1069884287 /nfs/dbraw/zinc/88/42/87/1069884287.db2.gz TXPOUAFGZZWOBH-UHFFFAOYSA-N 1 3 430.553 0.924 20 0 ICADHO CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC001477855228 1069956353 /nfs/dbraw/zinc/95/63/53/1069956353.db2.gz SBWZAZNPWDSWLT-NRFANRHFSA-N 1 3 436.645 0.595 20 0 ICADHO CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC001477855229 1069956155 /nfs/dbraw/zinc/95/61/55/1069956155.db2.gz SBWZAZNPWDSWLT-OAQYLSRUSA-N 1 3 436.645 0.595 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982209 1069965759 /nfs/dbraw/zinc/96/57/59/1069965759.db2.gz DXFGQDOVSFZQNJ-INIZCTEOSA-N 1 3 443.618 0.144 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001477982209 1069965755 /nfs/dbraw/zinc/96/57/55/1069965755.db2.gz DXFGQDOVSFZQNJ-INIZCTEOSA-N 1 3 443.618 0.144 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001478152049 1069972845 /nfs/dbraw/zinc/97/28/45/1069972845.db2.gz KMLXAANPZRNMMF-ZDUSSCGKSA-N 1 3 431.525 0.872 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001478152049 1069972840 /nfs/dbraw/zinc/97/28/40/1069972840.db2.gz KMLXAANPZRNMMF-ZDUSSCGKSA-N 1 3 431.525 0.872 20 0 ICADHO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)cn1C ZINC001478957003 1070035895 /nfs/dbraw/zinc/03/58/95/1070035895.db2.gz KYFLORJYXDXRKG-INIZCTEOSA-N 1 3 443.618 0.016 20 0 ICADHO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)cn1C ZINC001478957003 1070035880 /nfs/dbraw/zinc/03/58/80/1070035880.db2.gz KYFLORJYXDXRKG-INIZCTEOSA-N 1 3 443.618 0.016 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001478957661 1070036005 /nfs/dbraw/zinc/03/60/05/1070036005.db2.gz VDGFYQQPVRCUIC-INIZCTEOSA-N 1 3 430.575 0.104 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001478957661 1070035995 /nfs/dbraw/zinc/03/59/95/1070035995.db2.gz VDGFYQQPVRCUIC-INIZCTEOSA-N 1 3 430.575 0.104 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501904043 1070371984 /nfs/dbraw/zinc/37/19/84/1070371984.db2.gz SFMNKMWRHUTQET-JOCHJYFZSA-N 1 3 444.584 0.330 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501904043 1070371978 /nfs/dbraw/zinc/37/19/78/1070371978.db2.gz SFMNKMWRHUTQET-JOCHJYFZSA-N 1 3 444.584 0.330 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501904044 1070371731 /nfs/dbraw/zinc/37/17/31/1070371731.db2.gz SFMNKMWRHUTQET-QFIPXVFZSA-N 1 3 444.584 0.330 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501904044 1070371706 /nfs/dbraw/zinc/37/17/06/1070371706.db2.gz SFMNKMWRHUTQET-QFIPXVFZSA-N 1 3 444.584 0.330 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501906324 1070371852 /nfs/dbraw/zinc/37/18/52/1070371852.db2.gz AHTHNOMRWAGMIY-JOCHJYFZSA-N 1 3 435.617 0.534 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501906324 1070371833 /nfs/dbraw/zinc/37/18/33/1070371833.db2.gz AHTHNOMRWAGMIY-JOCHJYFZSA-N 1 3 435.617 0.534 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001501906325 1070372289 /nfs/dbraw/zinc/37/22/89/1070372289.db2.gz AHTHNOMRWAGMIY-QFIPXVFZSA-N 1 3 435.617 0.534 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501906325 1070372269 /nfs/dbraw/zinc/37/22/69/1070372269.db2.gz AHTHNOMRWAGMIY-QFIPXVFZSA-N 1 3 435.617 0.534 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001501906556 1070371547 /nfs/dbraw/zinc/37/15/47/1070371547.db2.gz IDFLIFNWAMEDIR-GOSISDBHSA-N 1 3 448.616 0.560 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)CC1 ZINC001501906556 1070371525 /nfs/dbraw/zinc/37/15/25/1070371525.db2.gz IDFLIFNWAMEDIR-GOSISDBHSA-N 1 3 448.616 0.560 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001501906557 1070372161 /nfs/dbraw/zinc/37/21/61/1070372161.db2.gz IDFLIFNWAMEDIR-SFHVURJKSA-N 1 3 448.616 0.560 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C(C)C)CC1 ZINC001501906557 1070372140 /nfs/dbraw/zinc/37/21/40/1070372140.db2.gz IDFLIFNWAMEDIR-SFHVURJKSA-N 1 3 448.616 0.560 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001502244219 1070397793 /nfs/dbraw/zinc/39/77/93/1070397793.db2.gz DJBZJWPDWWXCLI-IKGGRYGDSA-N 1 3 427.619 0.903 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001502244220 1070397430 /nfs/dbraw/zinc/39/74/30/1070397430.db2.gz DJBZJWPDWWXCLI-IXDOHACOSA-N 1 3 427.619 0.903 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001502244221 1070397841 /nfs/dbraw/zinc/39/78/41/1070397841.db2.gz DJBZJWPDWWXCLI-ULQDDVLXSA-N 1 3 427.619 0.903 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001502244222 1070398125 /nfs/dbraw/zinc/39/81/25/1070398125.db2.gz DJBZJWPDWWXCLI-YESZJQIVSA-N 1 3 427.619 0.903 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254743 1070399287 /nfs/dbraw/zinc/39/92/87/1070399287.db2.gz BMBDHZOYIBLFLQ-AOIWGVFYSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254744 1070399197 /nfs/dbraw/zinc/39/91/97/1070399197.db2.gz BMBDHZOYIBLFLQ-JENIJYKNSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001502254745 1070398817 /nfs/dbraw/zinc/39/88/17/1070398817.db2.gz BMBDHZOYIBLFLQ-LNLFQRSKSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001502254746 1070398622 /nfs/dbraw/zinc/39/86/22/1070398622.db2.gz BMBDHZOYIBLFLQ-ZIFCJYIRSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425965 /nfs/dbraw/zinc/42/59/65/1070425965.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 1 3 448.616 0.024 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334204 1070425962 /nfs/dbraw/zinc/42/59/62/1070425962.db2.gz BXDZCPFGPNJGKY-RBUKOAKNSA-N 1 3 448.616 0.024 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426083 /nfs/dbraw/zinc/42/60/83/1070426083.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 1 3 448.616 0.024 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502334205 1070426077 /nfs/dbraw/zinc/42/60/77/1070426077.db2.gz BXDZCPFGPNJGKY-RTBURBONSA-N 1 3 448.616 0.024 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335764 1070426879 /nfs/dbraw/zinc/42/68/79/1070426879.db2.gz QJRZRYZMMWHVBT-PMACEKPBSA-N 1 3 435.617 0.576 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335765 1070427022 /nfs/dbraw/zinc/42/70/22/1070427022.db2.gz QJRZRYZMMWHVBT-UXHICEINSA-N 1 3 435.617 0.576 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335766 1070426942 /nfs/dbraw/zinc/42/69/42/1070426942.db2.gz QJRZRYZMMWHVBT-VQTJNVASSA-N 1 3 435.617 0.576 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001502335767 1070426700 /nfs/dbraw/zinc/42/67/00/1070426700.db2.gz QJRZRYZMMWHVBT-WOJBJXKFSA-N 1 3 435.617 0.576 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426767 /nfs/dbraw/zinc/42/67/67/1070426767.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 1 3 435.617 0.924 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337622 1070426761 /nfs/dbraw/zinc/42/67/61/1070426761.db2.gz LJZNTBOTJLZQEN-VQTJNVASSA-N 1 3 435.617 0.924 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427765 /nfs/dbraw/zinc/42/77/65/1070427765.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 1 3 435.617 0.924 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001502337623 1070427761 /nfs/dbraw/zinc/42/77/61/1070427761.db2.gz LJZNTBOTJLZQEN-WOJBJXKFSA-N 1 3 435.617 0.924 20 0 ICADHO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001503401508 1070634627 /nfs/dbraw/zinc/63/46/27/1070634627.db2.gz AQMBUULMIBJKEA-IBGZPJMESA-N 1 3 449.600 0.251 20 0 ICADHO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001503401510 1070634863 /nfs/dbraw/zinc/63/48/63/1070634863.db2.gz AQMBUULMIBJKEA-LJQANCHMSA-N 1 3 449.600 0.251 20 0 ICADHO C[NH+](C)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503404012 1070636402 /nfs/dbraw/zinc/63/64/02/1070636402.db2.gz CLSOFCATNQRRSR-IBGZPJMESA-N 1 3 449.600 0.105 20 0 ICADHO C[NH+](C)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503404013 1070636632 /nfs/dbraw/zinc/63/66/32/1070636632.db2.gz CLSOFCATNQRRSR-LJQANCHMSA-N 1 3 449.600 0.105 20 0 ICADHO Cn1cc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCOCC[NH+](C)C)cn1 ZINC001503405736 1070638096 /nfs/dbraw/zinc/63/80/96/1070638096.db2.gz ZWGQIPXGPSIRNQ-UHFFFAOYSA-N 1 3 432.573 0.558 20 0 ICADHO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001519115936 1071008768 /nfs/dbraw/zinc/00/87/68/1071008768.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 1 3 433.601 0.867 20 0 ICADHO COCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001519115936 1071008746 /nfs/dbraw/zinc/00/87/46/1071008746.db2.gz KRHOQQIEUKWAPV-IBGZPJMESA-N 1 3 433.601 0.867 20 0 ICADHO COCC[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001519115937 1071008001 /nfs/dbraw/zinc/00/80/01/1071008001.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 1 3 433.601 0.867 20 0 ICADHO COCC[N@H+](C)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001519115937 1071007983 /nfs/dbraw/zinc/00/79/83/1071007983.db2.gz KRHOQQIEUKWAPV-LJQANCHMSA-N 1 3 433.601 0.867 20 0 ICADHO COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116043 1071008260 /nfs/dbraw/zinc/00/82/60/1071008260.db2.gz MOCUJIBLBUJQQS-IBGZPJMESA-N 1 3 449.600 0.356 20 0 ICADHO COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001519116044 1071008052 /nfs/dbraw/zinc/00/80/52/1071008052.db2.gz MOCUJIBLBUJQQS-LJQANCHMSA-N 1 3 449.600 0.356 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519116086 1071008184 /nfs/dbraw/zinc/00/81/84/1071008184.db2.gz NDZOOPXEFJKNOF-GOSISDBHSA-N 1 3 435.573 0.108 20 0 ICADHO COCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519116086 1071008162 /nfs/dbraw/zinc/00/81/62/1071008162.db2.gz NDZOOPXEFJKNOF-GOSISDBHSA-N 1 3 435.573 0.108 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519116088 1071007735 /nfs/dbraw/zinc/00/77/35/1071007735.db2.gz NDZOOPXEFJKNOF-SFHVURJKSA-N 1 3 435.573 0.108 20 0 ICADHO COCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001519116088 1071007713 /nfs/dbraw/zinc/00/77/13/1071007713.db2.gz NDZOOPXEFJKNOF-SFHVURJKSA-N 1 3 435.573 0.108 20 0 ICADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001519445101 1071083254 /nfs/dbraw/zinc/08/32/54/1071083254.db2.gz HAMGCSZNOZJTJW-NPPFBWRTSA-N 1 3 436.601 0.989 20 0 ICADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001519445101 1071083245 /nfs/dbraw/zinc/08/32/45/1071083245.db2.gz HAMGCSZNOZJTJW-NPPFBWRTSA-N 1 3 436.601 0.989 20 0 ICADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001519445104 1071083154 /nfs/dbraw/zinc/08/31/54/1071083154.db2.gz HAMGCSZNOZJTJW-SPEDKVCISA-N 1 3 436.601 0.989 20 0 ICADHO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001519445104 1071083144 /nfs/dbraw/zinc/08/31/44/1071083144.db2.gz HAMGCSZNOZJTJW-SPEDKVCISA-N 1 3 436.601 0.989 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)CC1 ZINC001540414201 1071638642 /nfs/dbraw/zinc/63/86/42/1071638642.db2.gz JCUPVQLSSPZNMS-FQEVSTJZSA-N 1 3 426.627 0.514 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)CC1 ZINC001540414202 1071638579 /nfs/dbraw/zinc/63/85/79/1071638579.db2.gz JCUPVQLSSPZNMS-HXUWFJFHSA-N 1 3 426.627 0.514 20 0 ICADHO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541607331 1071814700 /nfs/dbraw/zinc/81/47/00/1071814700.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541607331 1071814699 /nfs/dbraw/zinc/81/46/99/1071814699.db2.gz LXQSTRVJVJPLGA-MOPGFXCFSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541607332 1071815626 /nfs/dbraw/zinc/81/56/26/1071815626.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001541607332 1071815617 /nfs/dbraw/zinc/81/56/17/1071815617.db2.gz LXQSTRVJVJPLGA-OALUTQOASA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541607333 1071815866 /nfs/dbraw/zinc/81/58/66/1071815866.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541607333 1071815860 /nfs/dbraw/zinc/81/58/60/1071815860.db2.gz LXQSTRVJVJPLGA-RBUKOAKNSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541607334 1071815927 /nfs/dbraw/zinc/81/59/27/1071815927.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001541607334 1071815920 /nfs/dbraw/zinc/81/59/20/1071815920.db2.gz LXQSTRVJVJPLGA-RTBURBONSA-N 1 3 433.601 0.865 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@@H]1CCCN1CCCO ZINC001541649332 1071830402 /nfs/dbraw/zinc/83/04/02/1071830402.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@@H]1CCCN1CCCO ZINC001541649332 1071830390 /nfs/dbraw/zinc/83/03/90/1071830390.db2.gz COXZRMVGFCMFLI-FHWLQOOXSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1C[C@H]1CCCN1CCCO ZINC001541649333 1071830148 /nfs/dbraw/zinc/83/01/48/1071830148.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@H]1CCCN1CCCO ZINC001541649333 1071830145 /nfs/dbraw/zinc/83/01/45/1071830145.db2.gz COXZRMVGFCMFLI-OTWHNJEPSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@H]1CCCN1CCCO ZINC001541649334 1071830196 /nfs/dbraw/zinc/83/01/96/1071830196.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@H]1CCCN1CCCO ZINC001541649334 1071830190 /nfs/dbraw/zinc/83/01/90/1071830190.db2.gz COXZRMVGFCMFLI-QRVBRYPASA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1C[C@@H]1CCCN1CCCO ZINC001541649335 1071830275 /nfs/dbraw/zinc/83/02/75/1071830275.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@H]1CCCN1CCCO ZINC001541649335 1071830271 /nfs/dbraw/zinc/83/02/71/1071830271.db2.gz COXZRMVGFCMFLI-QYZOEREBSA-N 1 3 433.601 0.936 20 0 ICADHO CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541677140 1071851769 /nfs/dbraw/zinc/85/17/69/1071851769.db2.gz QNXFFXSJCSWZTO-JOCHJYFZSA-N 1 3 449.600 0.032 20 0 ICADHO CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541677140 1071851761 /nfs/dbraw/zinc/85/17/61/1071851761.db2.gz QNXFFXSJCSWZTO-JOCHJYFZSA-N 1 3 449.600 0.032 20 0 ICADHO CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541677141 1071852024 /nfs/dbraw/zinc/85/20/24/1071852024.db2.gz QNXFFXSJCSWZTO-QFIPXVFZSA-N 1 3 449.600 0.032 20 0 ICADHO CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541677141 1071852022 /nfs/dbraw/zinc/85/20/22/1071852022.db2.gz QNXFFXSJCSWZTO-QFIPXVFZSA-N 1 3 449.600 0.032 20 0 ICADHO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC001541833797 1071895471 /nfs/dbraw/zinc/89/54/71/1071895471.db2.gz LPMDPTDCJBLACG-GOSISDBHSA-N 1 3 446.600 0.209 20 0 ICADHO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)[NH+](C)C ZINC001541833798 1071895681 /nfs/dbraw/zinc/89/56/81/1071895681.db2.gz LPMDPTDCJBLACG-SFHVURJKSA-N 1 3 446.600 0.209 20 0 ICADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001541865137 1071901457 /nfs/dbraw/zinc/90/14/57/1071901457.db2.gz JVPWMMUGOFPEDP-MSOLQXFVSA-N 1 3 446.600 0.093 20 0 ICADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001541865138 1071901434 /nfs/dbraw/zinc/90/14/34/1071901434.db2.gz JVPWMMUGOFPEDP-QZTJIDSGSA-N 1 3 446.600 0.093 20 0 ICADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001541865139 1071901504 /nfs/dbraw/zinc/90/15/04/1071901504.db2.gz JVPWMMUGOFPEDP-ROUUACIJSA-N 1 3 446.600 0.093 20 0 ICADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001541865140 1071901476 /nfs/dbraw/zinc/90/14/76/1071901476.db2.gz JVPWMMUGOFPEDP-ZWKOTPCHSA-N 1 3 446.600 0.093 20 0 ICADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001541943325 1071939848 /nfs/dbraw/zinc/93/98/48/1071939848.db2.gz UHJXBCIFFLQUAW-CVEARBPZSA-N 1 3 427.619 0.903 20 0 ICADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001541943326 1071939785 /nfs/dbraw/zinc/93/97/85/1071939785.db2.gz UHJXBCIFFLQUAW-HOTGVXAUSA-N 1 3 427.619 0.903 20 0 ICADHO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)[NH+](C)C ZINC001541943327 1071939872 /nfs/dbraw/zinc/93/98/72/1071939872.db2.gz UHJXBCIFFLQUAW-HZPDHXFCSA-N 1 3 427.619 0.903 20 0 ICADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001541943328 1071939837 /nfs/dbraw/zinc/93/98/37/1071939837.db2.gz UHJXBCIFFLQUAW-JKSUJKDBSA-N 1 3 427.619 0.903 20 0 ICADHO CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001542905835 1072011614 /nfs/dbraw/zinc/01/16/14/1072011614.db2.gz GPVNSRVOMRIWLP-UHFFFAOYSA-N 1 3 449.640 0.574 20 0 ICADHO Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330236 1072064819 /nfs/dbraw/zinc/06/48/19/1072064819.db2.gz ALQSYIXCSOJTSB-PMACEKPBSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330236 1072064810 /nfs/dbraw/zinc/06/48/10/1072064810.db2.gz ALQSYIXCSOJTSB-PMACEKPBSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330237 1072065093 /nfs/dbraw/zinc/06/50/93/1072065093.db2.gz ALQSYIXCSOJTSB-UXHICEINSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001543330237 1072065080 /nfs/dbraw/zinc/06/50/80/1072065080.db2.gz ALQSYIXCSOJTSB-UXHICEINSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330238 1072064710 /nfs/dbraw/zinc/06/47/10/1072064710.db2.gz ALQSYIXCSOJTSB-VQTJNVASSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330238 1072064697 /nfs/dbraw/zinc/06/46/97/1072064697.db2.gz ALQSYIXCSOJTSB-VQTJNVASSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330239 1072064872 /nfs/dbraw/zinc/06/48/72/1072064872.db2.gz ALQSYIXCSOJTSB-WOJBJXKFSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001543330239 1072064866 /nfs/dbraw/zinc/06/48/66/1072064866.db2.gz ALQSYIXCSOJTSB-WOJBJXKFSA-N 1 3 433.601 0.688 20 0 ICADHO Cc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330339 1072064903 /nfs/dbraw/zinc/06/49/03/1072064903.db2.gz DLAQOEDKRKLLQX-FQEVSTJZSA-N 1 3 437.658 0.867 20 0 ICADHO Cc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC[NH+]1CCSCC1 ZINC001543330340 1072064983 /nfs/dbraw/zinc/06/49/83/1072064983.db2.gz DLAQOEDKRKLLQX-HXUWFJFHSA-N 1 3 437.658 0.867 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2)CC1 ZINC001543641616 1072082869 /nfs/dbraw/zinc/08/28/69/1072082869.db2.gz SARDFCIMJFEBAR-UHFFFAOYSA-N 1 3 449.625 0.817 20 0 ICADHO CCN1C(=O)CO[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1c1ccnn1C ZINC001544620593 1072128606 /nfs/dbraw/zinc/12/86/06/1072128606.db2.gz JNJCOWOXASAUPZ-RTWAWAEBSA-N 1 3 432.569 0.383 20 0 ICADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001544912186 1072151539 /nfs/dbraw/zinc/15/15/39/1072151539.db2.gz RMGQAQYRKCOWBW-DLBZAZTESA-N 1 3 425.574 0.772 20 0 ICADHO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001544912187 1072151425 /nfs/dbraw/zinc/15/14/25/1072151425.db2.gz RMGQAQYRKCOWBW-IAGOWNOFSA-N 1 3 425.574 0.772 20 0 ICADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001544912188 1072151560 /nfs/dbraw/zinc/15/15/60/1072151560.db2.gz RMGQAQYRKCOWBW-IRXDYDNUSA-N 1 3 425.574 0.772 20 0 ICADHO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001544912189 1072151485 /nfs/dbraw/zinc/15/14/85/1072151485.db2.gz RMGQAQYRKCOWBW-SJORKVTESA-N 1 3 425.574 0.772 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(S(=O)(=O)CCCOC)CC3)CC2)CC1 ZINC001545601367 1072207112 /nfs/dbraw/zinc/20/71/12/1072207112.db2.gz AWFYHCDXWDLUQL-UHFFFAOYSA-N 1 3 444.642 0.693 20 0 ICADHO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522248 1072211949 /nfs/dbraw/zinc/21/19/49/1072211949.db2.gz QIWRHAGIEMQUNT-IBGZPJMESA-N 1 3 433.601 0.430 20 0 ICADHO CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001546522249 1072212070 /nfs/dbraw/zinc/21/20/70/1072212070.db2.gz QIWRHAGIEMQUNT-LJQANCHMSA-N 1 3 433.601 0.430 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001546522659 1072211995 /nfs/dbraw/zinc/21/19/95/1072211995.db2.gz GAELZOSZESGGKW-UHFFFAOYSA-N 1 3 447.628 0.820 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001546955453 1072249291 /nfs/dbraw/zinc/24/92/91/1072249291.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001546955453 1072249288 /nfs/dbraw/zinc/24/92/88/1072249288.db2.gz WPNWXUAMUKRXLB-JQVVWYNYSA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001546955454 1072249328 /nfs/dbraw/zinc/24/93/28/1072249328.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001546955454 1072249321 /nfs/dbraw/zinc/24/93/21/1072249321.db2.gz WPNWXUAMUKRXLB-KNKQGSTJSA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001546955455 1072249130 /nfs/dbraw/zinc/24/91/30/1072249130.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001546955455 1072249122 /nfs/dbraw/zinc/24/91/22/1072249122.db2.gz WPNWXUAMUKRXLB-NNMXDRDESA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCN1CCOC ZINC001546955456 1072249228 /nfs/dbraw/zinc/24/92/28/1072249228.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 1 3 436.601 0.786 20 0 ICADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CCOC ZINC001546955456 1072249220 /nfs/dbraw/zinc/24/92/20/1072249220.db2.gz WPNWXUAMUKRXLB-WOIUINJBSA-N 1 3 436.601 0.786 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)CC1 ZINC001547475899 1072297729 /nfs/dbraw/zinc/29/77/29/1072297729.db2.gz VATYZJKZRQXAED-UHFFFAOYSA-N 1 3 441.584 0.821 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724600 1072338384 /nfs/dbraw/zinc/33/83/84/1072338384.db2.gz RSJQEAKVEMUETR-IBGZPJMESA-N 1 3 443.600 0.530 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547724601 1072338155 /nfs/dbraw/zinc/33/81/55/1072338155.db2.gz RSJQEAKVEMUETR-LJQANCHMSA-N 1 3 443.600 0.530 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725825 1072339022 /nfs/dbraw/zinc/33/90/22/1072339022.db2.gz ZXNSIVTXJISGSD-FQEVSTJZSA-N 1 3 445.616 0.473 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCOCC[NH+](C)C)C2)CC1 ZINC001547725826 1072338893 /nfs/dbraw/zinc/33/88/93/1072338893.db2.gz ZXNSIVTXJISGSD-HXUWFJFHSA-N 1 3 445.616 0.473 20 0 ICADHO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001552874904 1072505488 /nfs/dbraw/zinc/50/54/88/1072505488.db2.gz FUFCJRIHNKZCTL-IBGZPJMESA-N 1 3 449.600 0.356 20 0 ICADHO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001552874905 1072505959 /nfs/dbraw/zinc/50/59/59/1072505959.db2.gz FUFCJRIHNKZCTL-LJQANCHMSA-N 1 3 449.600 0.356 20 0 ICADHO COCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555485932 1072784647 /nfs/dbraw/zinc/78/46/47/1072784647.db2.gz YZBQSQJGEYXRCI-UHFFFAOYSA-N 1 3 446.600 0.948 20 0 ICADHO COCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555485932 1072784638 /nfs/dbraw/zinc/78/46/38/1072784638.db2.gz YZBQSQJGEYXRCI-UHFFFAOYSA-N 1 3 446.600 0.948 20 0 ICADHO COCC[N@@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555521680 1072792686 /nfs/dbraw/zinc/79/26/86/1072792686.db2.gz DIFTWOXSWWMIGF-IBGZPJMESA-N 1 3 449.600 0.499 20 0 ICADHO COCC[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555521680 1072792675 /nfs/dbraw/zinc/79/26/75/1072792675.db2.gz DIFTWOXSWWMIGF-IBGZPJMESA-N 1 3 449.600 0.499 20 0 ICADHO COCC[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555521681 1072792424 /nfs/dbraw/zinc/79/24/24/1072792424.db2.gz DIFTWOXSWWMIGF-LJQANCHMSA-N 1 3 449.600 0.499 20 0 ICADHO COCC[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001555521681 1072792418 /nfs/dbraw/zinc/79/24/18/1072792418.db2.gz DIFTWOXSWWMIGF-LJQANCHMSA-N 1 3 449.600 0.499 20 0 ICADHO COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794423 /nfs/dbraw/zinc/79/44/23/1072794423.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 1 3 449.600 0.497 20 0 ICADHO COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001555526713 1072794413 /nfs/dbraw/zinc/79/44/13/1072794413.db2.gz CHTWJZFYQYPSFK-HKUYNNGSSA-N 1 3 449.600 0.497 20 0 ICADHO COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794477 /nfs/dbraw/zinc/79/44/77/1072794477.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 1 3 449.600 0.497 20 0 ICADHO COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001555526714 1072794469 /nfs/dbraw/zinc/79/44/69/1072794469.db2.gz CHTWJZFYQYPSFK-PKOBYXMFSA-N 1 3 449.600 0.497 20 0 ICADHO COCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001555527289 1072795392 /nfs/dbraw/zinc/79/53/92/1072795392.db2.gz NATGTFNHSFIBFI-UHFFFAOYSA-N 1 3 446.600 0.805 20 0 ICADHO COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001555527289 1072795387 /nfs/dbraw/zinc/79/53/87/1072795387.db2.gz NATGTFNHSFIBFI-UHFFFAOYSA-N 1 3 446.600 0.805 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555527570 1072796399 /nfs/dbraw/zinc/79/63/99/1072796399.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555527570 1072796394 /nfs/dbraw/zinc/79/63/94/1072796394.db2.gz IWTZCSVUPRTPPZ-MOPGFXCFSA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555527571 1072796139 /nfs/dbraw/zinc/79/61/39/1072796139.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001555527571 1072796127 /nfs/dbraw/zinc/79/61/27/1072796127.db2.gz IWTZCSVUPRTPPZ-OALUTQOASA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555527574 1072796371 /nfs/dbraw/zinc/79/63/71/1072796371.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555527574 1072796367 /nfs/dbraw/zinc/79/63/67/1072796367.db2.gz IWTZCSVUPRTPPZ-RBUKOAKNSA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555527576 1072796065 /nfs/dbraw/zinc/79/60/65/1072796065.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 1 3 449.600 0.103 20 0 ICADHO COCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001555527576 1072796051 /nfs/dbraw/zinc/79/60/51/1072796051.db2.gz IWTZCSVUPRTPPZ-RTBURBONSA-N 1 3 449.600 0.103 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(S(=O)(=O)NC(C)C)CC3)CC2)CC1 ZINC001556977188 1072998981 /nfs/dbraw/zinc/99/89/81/1072998981.db2.gz FVSYASYCFPHDRF-UHFFFAOYSA-N 1 3 429.631 0.570 20 0 ICADHO CCN1CCC([N@H+]2CCCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)CC1 ZINC001557072465 1073010610 /nfs/dbraw/zinc/01/06/10/1073010610.db2.gz DYJDUFZJCKZVKF-JOCHJYFZSA-N 1 3 449.640 0.718 20 0 ICADHO CCN1CCC([N@@H+]2CCCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)CC1 ZINC001557072465 1073010601 /nfs/dbraw/zinc/01/06/01/1073010601.db2.gz DYJDUFZJCKZVKF-JOCHJYFZSA-N 1 3 449.640 0.718 20 0 ICADHO CCN1CCC([N@H+]2CCCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)CC1 ZINC001557072466 1073010656 /nfs/dbraw/zinc/01/06/56/1073010656.db2.gz DYJDUFZJCKZVKF-QFIPXVFZSA-N 1 3 449.640 0.718 20 0 ICADHO CCN1CCC([N@@H+]2CCCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)CC1 ZINC001557072466 1073010645 /nfs/dbraw/zinc/01/06/45/1073010645.db2.gz DYJDUFZJCKZVKF-QFIPXVFZSA-N 1 3 449.640 0.718 20 0 ICADHO Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001557161340 1073018282 /nfs/dbraw/zinc/01/82/82/1073018282.db2.gz CQNRRSLKKNYCGS-INIZCTEOSA-N 1 3 425.537 0.756 20 0 ICADHO Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001557161340 1073018272 /nfs/dbraw/zinc/01/82/72/1073018272.db2.gz CQNRRSLKKNYCGS-INIZCTEOSA-N 1 3 425.537 0.756 20 0 ICADHO Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001557161348 1073018461 /nfs/dbraw/zinc/01/84/61/1073018461.db2.gz CQNRRSLKKNYCGS-MRXNPFEDSA-N 1 3 425.537 0.756 20 0 ICADHO Cc1c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001557161348 1073018453 /nfs/dbraw/zinc/01/84/53/1073018453.db2.gz CQNRRSLKKNYCGS-MRXNPFEDSA-N 1 3 425.537 0.756 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001557449565 1073045307 /nfs/dbraw/zinc/04/53/07/1073045307.db2.gz AQHYXRXVQHPOOP-INIZCTEOSA-N 1 3 444.573 0.848 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001557449565 1073045297 /nfs/dbraw/zinc/04/52/97/1073045297.db2.gz AQHYXRXVQHPOOP-INIZCTEOSA-N 1 3 444.573 0.848 20 0 ICADHO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2)cn1C ZINC001557451253 1073045159 /nfs/dbraw/zinc/04/51/59/1073045159.db2.gz WCLPVVQYFBWFQP-INIZCTEOSA-N 1 3 442.630 0.517 20 0 ICADHO Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2)cn1C ZINC001557451253 1073045155 /nfs/dbraw/zinc/04/51/55/1073045155.db2.gz WCLPVVQYFBWFQP-INIZCTEOSA-N 1 3 442.630 0.517 20 0 ICADHO CN(C)C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)C[C@H]1C[NH+](C)C ZINC001557931265 1073100413 /nfs/dbraw/zinc/10/04/13/1073100413.db2.gz BLWTVPZRCFMYDJ-IAGOWNOFSA-N 1 3 444.623 0.914 20 0 ICADHO CCN(CC)S(=O)(=O)N1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC001557965461 1073104929 /nfs/dbraw/zinc/10/49/29/1073104929.db2.gz FFMPVUAUESREDW-UHFFFAOYSA-N 1 3 443.658 0.914 20 0 ICADHO CN1CCN(CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@H](c2ccccc2)C1 ZINC001563487956 1073490791 /nfs/dbraw/zinc/49/07/91/1073490791.db2.gz QGDNUIUXUNCJON-NRFANRHFSA-N 1 3 430.597 0.781 20 0 ICADHO CN1CCN(CCCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[C@@H](c2ccccc2)C1 ZINC001563487957 1073490936 /nfs/dbraw/zinc/49/09/36/1073490936.db2.gz QGDNUIUXUNCJON-OAQYLSRUSA-N 1 3 430.597 0.781 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001563567551 1073497593 /nfs/dbraw/zinc/49/75/93/1073497593.db2.gz RMSKGPUPVLTXFG-KRWDZBQOSA-N 1 3 432.569 0.330 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001563567551 1073497587 /nfs/dbraw/zinc/49/75/87/1073497587.db2.gz RMSKGPUPVLTXFG-KRWDZBQOSA-N 1 3 432.569 0.330 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563707693 1073505767 /nfs/dbraw/zinc/50/57/67/1073505767.db2.gz ZOXAMZVWHKCDOI-KRWDZBQOSA-N 1 3 442.605 0.637 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001563707693 1073505759 /nfs/dbraw/zinc/50/57/59/1073505759.db2.gz ZOXAMZVWHKCDOI-KRWDZBQOSA-N 1 3 442.605 0.637 20 0 ICADHO CN1CCN(C2CCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001563927086 1073522520 /nfs/dbraw/zinc/52/25/20/1073522520.db2.gz FPDNOQABTNDRME-UHFFFAOYSA-N 1 3 430.597 0.899 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001565055420 1071787328 /nfs/dbraw/zinc/78/73/28/1071787328.db2.gz CETDFGVUOASETR-KRWDZBQOSA-N 1 3 438.617 0.404 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001565055420 1071787324 /nfs/dbraw/zinc/78/73/24/1071787324.db2.gz CETDFGVUOASETR-KRWDZBQOSA-N 1 3 438.617 0.404 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055455 1071787225 /nfs/dbraw/zinc/78/72/25/1071787225.db2.gz DBYWTGSTQATBEU-ROUUACIJSA-N 1 3 433.619 0.094 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055455 1071787215 /nfs/dbraw/zinc/78/72/15/1071787215.db2.gz DBYWTGSTQATBEU-ROUUACIJSA-N 1 3 433.619 0.094 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055456 1071787127 /nfs/dbraw/zinc/78/71/27/1071787127.db2.gz DBYWTGSTQATBEU-ZWKOTPCHSA-N 1 3 433.619 0.094 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001565055456 1071787122 /nfs/dbraw/zinc/78/71/22/1071787122.db2.gz DBYWTGSTQATBEU-ZWKOTPCHSA-N 1 3 433.619 0.094 20 0 ICADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H]3CC(=O)N(CCN(C)CCOC)C3)CC2)CC1 ZINC001570028813 1071993976 /nfs/dbraw/zinc/99/39/76/1071993976.db2.gz HCTWDCORJNDYCL-FQEVSTJZSA-N 1 3 437.629 0.478 20 0 ICADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(=O)N(CCN(C)CCOC)C3)CC2)CC1 ZINC001570028814 1071994019 /nfs/dbraw/zinc/99/40/19/1071994019.db2.gz HCTWDCORJNDYCL-HXUWFJFHSA-N 1 3 437.629 0.478 20 0 ICADHO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001583251307 1072046207 /nfs/dbraw/zinc/04/62/07/1072046207.db2.gz LFCMIPIIBBNVBY-HSZRJFAPSA-N 1 3 442.564 0.983 20 0 ICADHO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC001583251308 1072045915 /nfs/dbraw/zinc/04/59/15/1072045915.db2.gz LFCMIPIIBBNVBY-QHCPKHFHSA-N 1 3 442.564 0.983 20 0 ICADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)CC2)CC1 ZINC001583984549 1072081241 /nfs/dbraw/zinc/08/12/41/1072081241.db2.gz HIGOUTPSDQFBRU-IBGZPJMESA-N 1 3 430.553 0.852 20 0 ICADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCCN3C(=O)c3ccc(=O)[nH]n3)CC2)CC1 ZINC001583984550 1072081204 /nfs/dbraw/zinc/08/12/04/1072081204.db2.gz HIGOUTPSDQFBRU-LJQANCHMSA-N 1 3 430.553 0.852 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001584247525 1072092220 /nfs/dbraw/zinc/09/22/20/1072092220.db2.gz IKPZZOCCPUOOLJ-INIZCTEOSA-N 1 3 444.573 0.848 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC001584247525 1072092207 /nfs/dbraw/zinc/09/22/07/1072092207.db2.gz IKPZZOCCPUOOLJ-INIZCTEOSA-N 1 3 444.573 0.848 20 0 ICADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001584247615 1072092343 /nfs/dbraw/zinc/09/23/43/1072092343.db2.gz JTEHYGHJXRQRCT-HNNXBMFYSA-N 1 3 432.612 0.771 20 0 ICADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001584247615 1072092329 /nfs/dbraw/zinc/09/23/29/1072092329.db2.gz JTEHYGHJXRQRCT-HNNXBMFYSA-N 1 3 432.612 0.771 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)CC1 ZINC001586109383 1072190800 /nfs/dbraw/zinc/19/08/00/1072190800.db2.gz YRXZZEKDUHTBCQ-UHFFFAOYSA-N 1 3 432.569 0.877 20 0 ICADHO Cc1c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001586571338 1072219138 /nfs/dbraw/zinc/21/91/38/1072219138.db2.gz FNASGOLJIQKJKW-UHFFFAOYSA-N 1 3 425.537 0.410 20 0 ICADHO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001588055958 1072311870 /nfs/dbraw/zinc/31/18/70/1072311870.db2.gz BKUCXSJPSNPYDN-GOSISDBHSA-N 1 3 442.626 0.335 20 0 ICADHO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC001588055960 1072311823 /nfs/dbraw/zinc/31/18/23/1072311823.db2.gz BKUCXSJPSNPYDN-SFHVURJKSA-N 1 3 442.626 0.335 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454521 /nfs/dbraw/zinc/45/45/21/1072454521.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138005 1072454514 /nfs/dbraw/zinc/45/45/14/1072454514.db2.gz ZBAJZDHLPWBBCY-JXHRLWIKSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455174 /nfs/dbraw/zinc/45/51/74/1072455174.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC001596138006 1072455169 /nfs/dbraw/zinc/45/51/69/1072455169.db2.gz ZBAJZDHLPWBBCY-KKLQWCBXSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455104 /nfs/dbraw/zinc/45/51/04/1072455104.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC001596138007 1072455097 /nfs/dbraw/zinc/45/50/97/1072455097.db2.gz ZBAJZDHLPWBBCY-NOXFTYBFSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455217 /nfs/dbraw/zinc/45/52/17/1072455217.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 1 3 447.628 0.847 20 0 ICADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@]3(O)CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC001596138008 1072455215 /nfs/dbraw/zinc/45/52/15/1072455215.db2.gz ZBAJZDHLPWBBCY-XQFWAAQXSA-N 1 3 447.628 0.847 20 0 ICADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001598393272 1072621133 /nfs/dbraw/zinc/62/11/33/1072621133.db2.gz DRUBNFDYLCCXTQ-IBGZPJMESA-N 1 3 449.983 0.989 20 0 ICADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3Cl)CC2)CC1 ZINC001598393273 1072621269 /nfs/dbraw/zinc/62/12/69/1072621269.db2.gz DRUBNFDYLCCXTQ-LJQANCHMSA-N 1 3 449.983 0.989 20 0 ICADHO COCCn1cc(N2C[C@@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001598393529 1072621244 /nfs/dbraw/zinc/62/12/44/1072621244.db2.gz QBJXCHLIYPXGAE-KRWDZBQOSA-N 1 3 432.569 0.557 20 0 ICADHO COCCn1cc(N2C[C@H](C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2=O)cn1 ZINC001598393530 1072621261 /nfs/dbraw/zinc/62/12/61/1072621261.db2.gz QBJXCHLIYPXGAE-QGZVFWFLSA-N 1 3 432.569 0.557 20 0 ICADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCOCC[NH+](C)C ZINC001603656589 1072655467 /nfs/dbraw/zinc/65/54/67/1072655467.db2.gz LDRCZOAPGORKED-IBGZPJMESA-N 1 3 435.617 0.798 20 0 ICADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCOCC[NH+](C)C ZINC001603656590 1072655490 /nfs/dbraw/zinc/65/54/90/1072655490.db2.gz LDRCZOAPGORKED-LJQANCHMSA-N 1 3 435.617 0.798 20 0 ICADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)CC2)CC1 ZINC001607600907 1072680799 /nfs/dbraw/zinc/68/07/99/1072680799.db2.gz JQHOHDBWGOQXFM-UHFFFAOYSA-N 1 3 427.611 0.989 20 0 ICADHO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001607939261 1072688534 /nfs/dbraw/zinc/68/85/34/1072688534.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 1 3 441.584 0.818 20 0 ICADHO CC(C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001607939261 1072688531 /nfs/dbraw/zinc/68/85/31/1072688531.db2.gz OZVHBSQGVGWPLY-IBGZPJMESA-N 1 3 441.584 0.818 20 0 ICADHO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001607939262 1072688639 /nfs/dbraw/zinc/68/86/39/1072688639.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 1 3 441.584 0.818 20 0 ICADHO CC(C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001607939262 1072688633 /nfs/dbraw/zinc/68/86/33/1072688633.db2.gz OZVHBSQGVGWPLY-LJQANCHMSA-N 1 3 441.584 0.818 20 0 ICADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001608579995 1072716699 /nfs/dbraw/zinc/71/66/99/1072716699.db2.gz UJNZHCYBAOHIJK-UHFFFAOYSA-N 1 3 437.589 0.296 20 0 ICADHO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1)[NH+](C)C ZINC001611599315 1072790608 /nfs/dbraw/zinc/79/06/08/1072790608.db2.gz NKPHNQRFAIJEMY-GOSISDBHSA-N 1 3 433.601 0.899 20 0 ICADHO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1)[NH+](C)C ZINC001611599316 1072790699 /nfs/dbraw/zinc/79/06/99/1072790699.db2.gz NKPHNQRFAIJEMY-SFHVURJKSA-N 1 3 433.601 0.899 20 0 ICADHO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001611707203 1072835618 /nfs/dbraw/zinc/83/56/18/1072835618.db2.gz NCQJANDYSIBKEP-CVEARBPZSA-N 1 3 443.618 0.139 20 0 ICADHO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001611707204 1072835573 /nfs/dbraw/zinc/83/55/73/1072835573.db2.gz NCQJANDYSIBKEP-HOTGVXAUSA-N 1 3 443.618 0.139 20 0 ICADHO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001611707205 1072835500 /nfs/dbraw/zinc/83/55/00/1072835500.db2.gz NCQJANDYSIBKEP-HZPDHXFCSA-N 1 3 443.618 0.139 20 0 ICADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001611707206 1072835341 /nfs/dbraw/zinc/83/53/41/1072835341.db2.gz NCQJANDYSIBKEP-JKSUJKDBSA-N 1 3 443.618 0.139 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612594090 1072907932 /nfs/dbraw/zinc/90/79/32/1072907932.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612594090 1072907930 /nfs/dbraw/zinc/90/79/30/1072907930.db2.gz QTZLFHVVBXWWFU-PMACEKPBSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612594091 1072907848 /nfs/dbraw/zinc/90/78/48/1072907848.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612594091 1072907845 /nfs/dbraw/zinc/90/78/45/1072907845.db2.gz QTZLFHVVBXWWFU-UXHICEINSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001612594092 1072907908 /nfs/dbraw/zinc/90/79/08/1072907908.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001612594092 1072907902 /nfs/dbraw/zinc/90/79/02/1072907902.db2.gz QTZLFHVVBXWWFU-VQTJNVASSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001612594093 1072908019 /nfs/dbraw/zinc/90/80/19/1072908019.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 1 3 433.601 0.566 20 0 ICADHO Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001612594093 1072908007 /nfs/dbraw/zinc/90/80/07/1072908007.db2.gz QTZLFHVVBXWWFU-WOJBJXKFSA-N 1 3 433.601 0.566 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001614018479 1073011063 /nfs/dbraw/zinc/01/10/63/1073011063.db2.gz RWXNZECSMQQJFF-FQEVSTJZSA-N 1 3 447.628 0.822 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001614018479 1073011059 /nfs/dbraw/zinc/01/10/59/1073011059.db2.gz RWXNZECSMQQJFF-FQEVSTJZSA-N 1 3 447.628 0.822 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001614018480 1073010973 /nfs/dbraw/zinc/01/09/73/1073010973.db2.gz RWXNZECSMQQJFF-HXUWFJFHSA-N 1 3 447.628 0.822 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001614018480 1073010960 /nfs/dbraw/zinc/01/09/60/1073010960.db2.gz RWXNZECSMQQJFF-HXUWFJFHSA-N 1 3 447.628 0.822 20 0 ICADHO CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001614018624 1073011224 /nfs/dbraw/zinc/01/12/24/1073011224.db2.gz YHQUMONXEDJTDB-UHFFFAOYSA-N 1 3 433.601 0.696 20 0 ICADHO CCC[N@H+]1CCCCC1Cn1c(C(=O)NC(C)C)nnc1N1CCOC(C(=O)NC)C1 ZINC001614855975 1073056446 /nfs/dbraw/zinc/05/64/46/1073056446.db2.gz ACJGKGACHILVBG-IRXDYDNUSA-N 1 3 435.573 0.632 20 0 ICADHO CCC[N@@H+]1CCCCC1Cn1c(C(=O)NC(C)C)nnc1N1CCOC(C(=O)NC)C1 ZINC001614855975 1073056436 /nfs/dbraw/zinc/05/64/36/1073056436.db2.gz ACJGKGACHILVBG-IRXDYDNUSA-N 1 3 435.573 0.632 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615411592 1073089588 /nfs/dbraw/zinc/08/95/88/1073089588.db2.gz PXDUDUGFDALARL-JOCHJYFZSA-N 1 3 435.617 0.633 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615411592 1073089564 /nfs/dbraw/zinc/08/95/64/1073089564.db2.gz PXDUDUGFDALARL-JOCHJYFZSA-N 1 3 435.617 0.633 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615411593 1073089446 /nfs/dbraw/zinc/08/94/46/1073089446.db2.gz PXDUDUGFDALARL-QFIPXVFZSA-N 1 3 435.617 0.633 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615411593 1073089435 /nfs/dbraw/zinc/08/94/35/1073089435.db2.gz PXDUDUGFDALARL-QFIPXVFZSA-N 1 3 435.617 0.633 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001615416170 1073090043 /nfs/dbraw/zinc/09/00/43/1073090043.db2.gz XGEHXOFTPRIQNP-UHFFFAOYSA-N 1 3 447.628 0.993 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615416198 1073090308 /nfs/dbraw/zinc/09/03/08/1073090308.db2.gz YHLUEVOVGZRDKZ-HSZRJFAPSA-N 1 3 447.628 0.993 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615416198 1073090293 /nfs/dbraw/zinc/09/02/93/1073090293.db2.gz YHLUEVOVGZRDKZ-HSZRJFAPSA-N 1 3 447.628 0.993 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615416199 1073089999 /nfs/dbraw/zinc/08/99/99/1073089999.db2.gz YHLUEVOVGZRDKZ-QHCPKHFHSA-N 1 3 447.628 0.993 20 0 ICADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615416199 1073089991 /nfs/dbraw/zinc/08/99/91/1073089991.db2.gz YHLUEVOVGZRDKZ-QHCPKHFHSA-N 1 3 447.628 0.993 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001615769213 1073117727 /nfs/dbraw/zinc/11/77/27/1073117727.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001615769213 1073117725 /nfs/dbraw/zinc/11/77/25/1073117725.db2.gz RSMFNCRULCTLNM-HCXYKTFWSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001615769214 1073117630 /nfs/dbraw/zinc/11/76/30/1073117630.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001615769214 1073117623 /nfs/dbraw/zinc/11/76/23/1073117623.db2.gz RSMFNCRULCTLNM-OKYOBFRVSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001615769215 1073117809 /nfs/dbraw/zinc/11/78/09/1073117809.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001615769215 1073117804 /nfs/dbraw/zinc/11/78/04/1073117804.db2.gz RSMFNCRULCTLNM-VJANTYMQSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001615769216 1073117863 /nfs/dbraw/zinc/11/78/63/1073117863.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001615769216 1073117860 /nfs/dbraw/zinc/11/78/60/1073117860.db2.gz RSMFNCRULCTLNM-XWSJACJDSA-N 1 3 433.601 0.995 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615774314 1073117850 /nfs/dbraw/zinc/11/78/50/1073117850.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615774314 1073117845 /nfs/dbraw/zinc/11/78/45/1073117845.db2.gz BQMXPRUAJXUTGL-NOYKIMNZSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001615774315 1073117744 /nfs/dbraw/zinc/11/77/44/1073117744.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001615774315 1073117740 /nfs/dbraw/zinc/11/77/40/1073117740.db2.gz BQMXPRUAJXUTGL-PEXPKUBFSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615774316 1073117663 /nfs/dbraw/zinc/11/76/63/1073117663.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615774316 1073117661 /nfs/dbraw/zinc/11/76/61/1073117661.db2.gz BQMXPRUAJXUTGL-SHUHUVMISA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001615774317 1073117788 /nfs/dbraw/zinc/11/77/88/1073117788.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001615774317 1073117786 /nfs/dbraw/zinc/11/77/86/1073117786.db2.gz BQMXPRUAJXUTGL-ZLGIVVLRSA-N 1 3 436.601 0.988 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873241 1073135809 /nfs/dbraw/zinc/13/58/09/1073135809.db2.gz RXVFPVYRULTIBZ-MOPGFXCFSA-N 1 3 432.617 0.680 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873243 1073136092 /nfs/dbraw/zinc/13/60/92/1073136092.db2.gz RXVFPVYRULTIBZ-OALUTQOASA-N 1 3 432.617 0.680 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)CC1 ZINC001615873244 1073136152 /nfs/dbraw/zinc/13/61/52/1073136152.db2.gz RXVFPVYRULTIBZ-RBUKOAKNSA-N 1 3 432.617 0.680 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)CC1 ZINC001615873246 1073135751 /nfs/dbraw/zinc/13/57/51/1073135751.db2.gz RXVFPVYRULTIBZ-RTBURBONSA-N 1 3 432.617 0.680 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073138011 /nfs/dbraw/zinc/13/80/11/1073138011.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 1 3 446.644 0.957 20 0 ICADHO CCN1CCN([C@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877860 1073138006 /nfs/dbraw/zinc/13/80/06/1073138006.db2.gz ZVNVDIVIOUJWHP-FQEVSTJZSA-N 1 3 446.644 0.957 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138267 /nfs/dbraw/zinc/13/82/67/1073138267.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 1 3 446.644 0.957 20 0 ICADHO CCN1CCN([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3CC[N@H+](C)C(C)C)C2)CC1 ZINC001615877861 1073138259 /nfs/dbraw/zinc/13/82/59/1073138259.db2.gz ZVNVDIVIOUJWHP-HXUWFJFHSA-N 1 3 446.644 0.957 20 0 ICADHO CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001616939539 1073240736 /nfs/dbraw/zinc/24/07/36/1073240736.db2.gz DLELLHBHZFVBSW-IBGZPJMESA-N 1 3 436.601 0.820 20 0 ICADHO CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001616939540 1073240873 /nfs/dbraw/zinc/24/08/73/1073240873.db2.gz DLELLHBHZFVBSW-LJQANCHMSA-N 1 3 436.601 0.820 20 0 ICADHO