smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C[NH+]2CCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC000019791496 202021544 /nfs/dbraw/zinc/02/15/44/202021544.db2.gz BOTPDNCAIAJUID-UHFFFAOYSA-N 1 1 340.467 3.281 50 10 EGCAMO COc1ccc(N2CCN(c3[nH+]cnc4[nH]ccc43)CC2(C)C)cc1 ZINC000077355004 274113476 /nfs/dbraw/zinc/11/34/76/274113476.db2.gz VAMAZCBRERKHPM-UHFFFAOYSA-N 1 1 337.427 3.072 50 10 EGCAMO COc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(OC)c1O)CC3 ZINC000067459287 453932963 /nfs/dbraw/zinc/93/29/63/453932963.db2.gz CKVORSJMYAQPMN-UHFFFAOYSA-N 1 1 338.407 3.449 50 10 EGCAMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(OC)c1O)CC3 ZINC000067459287 453932965 /nfs/dbraw/zinc/93/29/65/453932965.db2.gz CKVORSJMYAQPMN-UHFFFAOYSA-N 1 1 338.407 3.449 50 10 EGCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)ccc2O)C1 ZINC000299765854 456779663 /nfs/dbraw/zinc/77/96/63/456779663.db2.gz YRNHTWWVBPYKHS-INIZCTEOSA-N 1 1 340.423 3.229 50 10 EGCAMO CCOc1ccc2nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc(C)c2c1 ZINC000005593104 452886383 /nfs/dbraw/zinc/88/63/83/452886383.db2.gz LQJFOLOHSFCUQS-UHFFFAOYSA-N 1 1 325.416 3.390 50 10 aggregator EGCAMO C[C@@H](c1ccccn1)[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952962770 1334625337 /nfs/dbraw/zinc/62/53/37/1334625337.db2.gz HHHMCTJBQWWKEC-HNNXBMFYSA-N 1 1 339.439 3.472 50 10 EGCAMO Oc1ccc2occ([C@H](O)c3ccccc3)c2c1C[NH+]1CCOCC1 ZINC000019339061 202003995 /nfs/dbraw/zinc/00/39/95/202003995.db2.gz VCCKRONQOSFEHM-HXUWFJFHSA-N 1 1 339.391 3.052 50 10 EGCAMO CC(C)C[N@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000019840141 202022845 /nfs/dbraw/zinc/02/28/45/202022845.db2.gz OIUYYQRQQOUOLG-SFHVURJKSA-N 1 1 342.483 3.070 50 10 EGCAMO CC(C)CN1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000019840141 202022847 /nfs/dbraw/zinc/02/28/47/202022847.db2.gz OIUYYQRQQOUOLG-SFHVURJKSA-N 1 1 342.483 3.070 50 10 EGCAMO CC(C)CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000019840141 202022850 /nfs/dbraw/zinc/02/28/50/202022850.db2.gz OIUYYQRQQOUOLG-SFHVURJKSA-N 1 1 342.483 3.070 50 10 EGCAMO COc1ccc(N2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1 ZINC000055542905 132195302 /nfs/dbraw/zinc/19/53/02/132195302.db2.gz IPJSAICAWOPPOJ-UHFFFAOYSA-N 1 1 342.439 3.035 50 10 EGCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000000292370 452554079 /nfs/dbraw/zinc/55/40/79/452554079.db2.gz BIYNDLKTGNKIFB-UHFFFAOYSA-N 1 1 326.440 3.328 50 10 EGCAMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019745464 1291192979 /nfs/dbraw/zinc/19/29/79/1291192979.db2.gz JOKQGLRNCWBTIA-HXUWFJFHSA-N 1 1 329.415 3.349 50 10 EGCAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c(O)c1 ZINC000005962323 452913230 /nfs/dbraw/zinc/91/32/30/452913230.db2.gz IKMHRJJFTHORTP-OAHLLOKOSA-N 1 1 329.425 3.179 50 10 EGCAMO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c(O)c1 ZINC000005962323 452913238 /nfs/dbraw/zinc/91/32/38/452913238.db2.gz IKMHRJJFTHORTP-OAHLLOKOSA-N 1 1 329.425 3.179 50 10 EGCAMO CC(C)(C)c1ccc(O)c(CN2CCC([N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000067934530 453981997 /nfs/dbraw/zinc/98/19/97/453981997.db2.gz GNAGTJIQVCWMGP-IBGZPJMESA-N 1 1 346.515 3.111 50 10 EGCAMO CCOc1ccccc1OCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000055042056 214266909 /nfs/dbraw/zinc/26/69/09/214266909.db2.gz DWESSCQEYLVSBH-UHFFFAOYSA-N 1 1 331.412 3.310 50 10 EGCAMO c1ccc2c(c1)CC([N@@H+]1CCC[C@H](NCc3ccc4c(c3)CCO4)C1)C2 ZINC000020542249 212145366 /nfs/dbraw/zinc/14/53/66/212145366.db2.gz NQBQWCUWNLYYJJ-NRFANRHFSA-N 1 1 348.490 3.343 50 10 EGCAMO c1ccc2c(c1)CC([N@H+]1CCC[C@H](NCc3ccc4c(c3)CCO4)C1)C2 ZINC000020542249 212145367 /nfs/dbraw/zinc/14/53/67/212145367.db2.gz NQBQWCUWNLYYJJ-NRFANRHFSA-N 1 1 348.490 3.343 50 10 EGCAMO COc1ccc(N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000055543852 132196232 /nfs/dbraw/zinc/19/62/32/132196232.db2.gz BHQFVEPSQCFCPG-UHFFFAOYSA-N 1 1 342.439 3.035 50 10 EGCAMO [NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C21 ZINC000100858661 454468026 /nfs/dbraw/zinc/46/80/26/454468026.db2.gz PZPYTMCCNSGMNY-DOTOQJQBSA-N 1 1 348.358 3.045 50 10 EGCAMO CCOc1ccccc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000055543350 132195595 /nfs/dbraw/zinc/19/55/95/132195595.db2.gz LYOACIGGGLBXHC-UHFFFAOYSA-N 1 1 326.440 3.416 50 10 EGCAMO CN1CC[C@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754935 1320203497 /nfs/dbraw/zinc/20/34/97/1320203497.db2.gz GGMWVZRXAWKXSF-OAQYLSRUSA-N 1 1 327.516 3.076 50 10 EGCAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)cc1 ZINC000012304415 211339944 /nfs/dbraw/zinc/33/99/44/211339944.db2.gz UOTSGWCBJIWXAS-INIZCTEOSA-N 1 1 342.439 3.486 50 10 EGCAMO [NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C21 ZINC000100858657 454467836 /nfs/dbraw/zinc/46/78/36/454467836.db2.gz PZPYTMCCNSGMNY-NVXWUHKLSA-N 1 1 348.358 3.045 50 10 EGCAMO C[N@H+](Cc1ccon1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O ZINC000019743735 1291193470 /nfs/dbraw/zinc/19/34/70/1291193470.db2.gz CANWTPSPWBMMBJ-UHFFFAOYSA-N 1 1 338.363 3.408 50 10 EGCAMO C[N@@H+](Cc1ccon1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1O ZINC000019743735 1291193475 /nfs/dbraw/zinc/19/34/75/1291193475.db2.gz CANWTPSPWBMMBJ-UHFFFAOYSA-N 1 1 338.363 3.408 50 10 EGCAMO O=C1/C(=C/c2ccccc2F)SC(=S)N1C[NH+]1CCCCC1 ZINC000033326292 453913840 /nfs/dbraw/zinc/91/38/40/453913840.db2.gz UWAMEYNNCRZBFG-UVTDQMKNSA-N 1 1 336.457 3.470 50 10 EGCAMO Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000001092443 452645509 /nfs/dbraw/zinc/64/55/09/452645509.db2.gz NEGHUUSPBWXHOY-MHWRWJLKSA-N 1 1 341.436 3.484 50 10 EGCAMO COc1ccc(O)c(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000019720887 212058650 /nfs/dbraw/zinc/05/86/50/212058650.db2.gz UAJUBANLYREQBU-IBGZPJMESA-N 1 1 340.467 3.497 50 10 EGCAMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000019720887 212058651 /nfs/dbraw/zinc/05/86/51/212058651.db2.gz UAJUBANLYREQBU-IBGZPJMESA-N 1 1 340.467 3.497 50 10 EGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000019720887 212058653 /nfs/dbraw/zinc/05/86/53/212058653.db2.gz UAJUBANLYREQBU-IBGZPJMESA-N 1 1 340.467 3.497 50 10 EGCAMO CCOc1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)ccc1O ZINC000055543585 214328882 /nfs/dbraw/zinc/32/88/82/214328882.db2.gz IDYAHDIJZQGGIY-UHFFFAOYSA-N 1 1 342.439 3.122 50 10 EGCAMO Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1 ZINC000009008375 211029327 /nfs/dbraw/zinc/02/93/27/211029327.db2.gz OKLWAQPBPBEIIL-HNNXBMFYSA-N 1 1 329.425 3.179 50 10 EGCAMO Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1 ZINC000009008375 211029322 /nfs/dbraw/zinc/02/93/22/211029322.db2.gz OKLWAQPBPBEIIL-HNNXBMFYSA-N 1 1 329.425 3.179 50 10 EGCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CC=C(C)C)C3)CC2)cc1 ZINC000020536067 453666573 /nfs/dbraw/zinc/66/65/73/453666573.db2.gz JYRAEADDLDSQDW-FQEVSTJZSA-N 1 1 343.515 3.248 50 10 EGCAMO O=C1/C(=C\c2ccccc2F)SC(=S)N1C[NH+]1CCCCC1 ZINC000023279563 212366567 /nfs/dbraw/zinc/36/65/67/212366567.db2.gz UWAMEYNNCRZBFG-GXDHUFHOSA-N 1 1 336.457 3.470 50 10 EGCAMO CCOc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000016662852 453617958 /nfs/dbraw/zinc/61/79/58/453617958.db2.gz GKEUWUOSVPEYGS-UHFFFAOYSA-N 1 1 343.423 3.366 50 10 EGCAMO CCc1ncc(C[N@@H+]2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 ZINC000072135305 454272171 /nfs/dbraw/zinc/27/21/71/454272171.db2.gz YLHPLERCOHERGP-UHFFFAOYSA-N 1 1 340.471 3.148 50 10 EGCAMO CCc1ncc(C[N@H+]2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 ZINC000072135305 454272180 /nfs/dbraw/zinc/27/21/80/454272180.db2.gz YLHPLERCOHERGP-UHFFFAOYSA-N 1 1 340.471 3.148 50 10 EGCAMO Cc1noc([C@@H](C)[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)n1 ZINC000534661391 459344808 /nfs/dbraw/zinc/34/48/08/459344808.db2.gz ACONBTKDTYXMIG-CYBMUJFWSA-N 1 1 326.444 3.186 50 10 EGCAMO OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019745466 1291193253 /nfs/dbraw/zinc/19/32/53/1291193253.db2.gz JOKQGLRNCWBTIA-FQEVSTJZSA-N 1 1 329.415 3.349 50 10 EGCAMO CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)CO)c1O ZINC000055182785 214284151 /nfs/dbraw/zinc/28/41/51/214284151.db2.gz BEDGNMVTUWKYJS-MRXNPFEDSA-N 1 1 329.440 3.422 50 10 EGCAMO Oc1ccc2occ([C@@H](O)c3ccccc3)c2c1C[NH+]1CCOCC1 ZINC000019339055 212018505 /nfs/dbraw/zinc/01/85/05/212018505.db2.gz VCCKRONQOSFEHM-FQEVSTJZSA-N 1 1 339.391 3.052 50 10 EGCAMO CCOc1ccc2c(C)nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc2c1 ZINC000000028976 452491491 /nfs/dbraw/zinc/49/14/91/452491491.db2.gz SNGZYDWWLUKFQC-UHFFFAOYSA-N 1 1 325.416 3.390 50 10 aggregator EGCAMO COc1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000013398562 453462446 /nfs/dbraw/zinc/46/24/46/453462446.db2.gz IQBDSEFFRGVQTG-PTNGSMBKSA-N 1 1 348.493 3.340 50 10 EGCAMO CC[NH+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000022461921 212298833 /nfs/dbraw/zinc/29/88/33/212298833.db2.gz WZTCSVBVYOCSFB-UHFFFAOYSA-N 1 1 343.446 3.053 50 10 EGCAMO c1ccc2c(c1)CC([N@@H+]1CCC[C@@H](NCc3ccc4c(c3)CCO4)C1)C2 ZINC000020542246 212146174 /nfs/dbraw/zinc/14/61/74/212146174.db2.gz NQBQWCUWNLYYJJ-OAQYLSRUSA-N 1 1 348.490 3.343 50 10 EGCAMO c1ccc2c(c1)CC([N@H+]1CCC[C@@H](NCc3ccc4c(c3)CCO4)C1)C2 ZINC000020542246 212146178 /nfs/dbraw/zinc/14/61/78/212146178.db2.gz NQBQWCUWNLYYJJ-OAQYLSRUSA-N 1 1 348.490 3.343 50 10 EGCAMO O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000019607826 212051564 /nfs/dbraw/zinc/05/15/64/212051564.db2.gz JPZQLPGNIPOVPS-GXDHUFHOSA-N 1 1 336.457 3.470 50 10 EGCAMO COc1cccc(-c2ccc(O)c(C[N@@H+](C)Cc3cc(C)no3)c2)n1 ZINC000011913264 211268207 /nfs/dbraw/zinc/26/82/07/211268207.db2.gz CQSGOCBDFKBTQB-UHFFFAOYSA-N 1 1 339.395 3.391 50 10 EGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CC=C(C)C)C3)CC2)cc1 ZINC000020536065 453666414 /nfs/dbraw/zinc/66/64/14/453666414.db2.gz JYRAEADDLDSQDW-HXUWFJFHSA-N 1 1 343.515 3.248 50 10 EGCAMO COc1ccc(O)c(CN2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000019210281 212004441 /nfs/dbraw/zinc/00/44/41/212004441.db2.gz KDNPHVDEJDWHQX-UHFFFAOYSA-N 1 1 326.440 3.027 50 10 biogenic EGCAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)cc1 ZINC000012304414 211340450 /nfs/dbraw/zinc/34/04/50/211340450.db2.gz UOTSGWCBJIWXAS-MRXNPFEDSA-N 1 1 342.439 3.486 50 10 EGCAMO COc1cccc(C[N@H+]2CCCOc3c(cccc3OC)C2)c1O ZINC000065394472 278010303 /nfs/dbraw/zinc/01/03/03/278010303.db2.gz FTHJFWFNODBZMZ-UHFFFAOYSA-N 1 1 329.396 3.194 50 10 EGCAMO CC(C)(C)c1cc(CN2CC[NH+](CCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000022916882 453701753 /nfs/dbraw/zinc/70/17/53/453701753.db2.gz VDTYKZHFCIMEIL-UHFFFAOYSA-N 1 1 348.531 3.097 50 10 EGCAMO O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC[NH+]1CCCC1 ZINC000604404497 460422446 /nfs/dbraw/zinc/42/24/46/460422446.db2.gz OTDPSXCDGNFWAT-UHFFFAOYSA-N 1 1 344.414 3.309 50 10 biogenic EGCAMO CCc1ccc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)nc1 ZINC000216321264 536176547 /nfs/dbraw/zinc/17/65/47/536176547.db2.gz PANQMHXRVTUDFR-INIZCTEOSA-N 1 1 325.456 3.363 50 10 EGCAMO CCc1ccc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)nc1 ZINC000216321264 536176549 /nfs/dbraw/zinc/17/65/49/536176549.db2.gz PANQMHXRVTUDFR-INIZCTEOSA-N 1 1 325.456 3.363 50 10 EGCAMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)ccc1O ZINC000020541864 212145600 /nfs/dbraw/zinc/14/56/00/212145600.db2.gz HPWMVTYCEYQSGY-SFHVURJKSA-N 1 1 340.423 3.372 50 10 EGCAMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(-c2cccnc2)ccc1O ZINC000020541864 212145601 /nfs/dbraw/zinc/14/56/01/212145601.db2.gz HPWMVTYCEYQSGY-SFHVURJKSA-N 1 1 340.423 3.372 50 10 EGCAMO CN(C)c1ccc(/C=C2\SC(=S)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000033880506 453917566 /nfs/dbraw/zinc/91/75/66/453917566.db2.gz LXDYSUBCLVUNFD-PTNGSMBKSA-N 1 1 347.509 3.007 50 10 EGCAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019839585 212073749 /nfs/dbraw/zinc/07/37/49/212073749.db2.gz XYWWORVLTJKCJU-HXUWFJFHSA-N 1 1 347.405 3.488 50 10 EGCAMO [NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C21 ZINC000100858667 454467529 /nfs/dbraw/zinc/46/75/29/454467529.db2.gz PZPYTMCCNSGMNY-RDJZCZTQSA-N 1 1 348.358 3.045 50 10 EGCAMO O=C1N=C(N2CC[N@H+]3CCC[C@@H]3C2)S/C1=C/c1ccc(Cl)cc1 ZINC000020607842 296355043 /nfs/dbraw/zinc/35/50/43/296355043.db2.gz DNQNEKWKCMCXMI-MFYHJKBNSA-N 1 1 347.871 3.090 50 10 EGCAMO CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)CO)c1O ZINC000055182786 453968051 /nfs/dbraw/zinc/96/80/51/453968051.db2.gz BEDGNMVTUWKYJS-INIZCTEOSA-N 1 1 329.440 3.422 50 10 EGCAMO CN1CC[C@@](C)(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000823754934 1320203761 /nfs/dbraw/zinc/20/37/61/1320203761.db2.gz GGMWVZRXAWKXSF-NRFANRHFSA-N 1 1 327.516 3.076 50 10 EGCAMO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c(O)c1 ZINC000005962321 452914167 /nfs/dbraw/zinc/91/41/67/452914167.db2.gz IKMHRJJFTHORTP-HNNXBMFYSA-N 1 1 329.425 3.179 50 10 EGCAMO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c(O)c1 ZINC000005962321 452914172 /nfs/dbraw/zinc/91/41/72/452914172.db2.gz IKMHRJJFTHORTP-HNNXBMFYSA-N 1 1 329.425 3.179 50 10 EGCAMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000055031699 132193388 /nfs/dbraw/zinc/19/33/88/132193388.db2.gz AMLRZERTGXODRJ-UHFFFAOYSA-N 1 1 337.467 3.277 50 10 EGCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3cccnc3)ccc2O)C1 ZINC000299786243 456780610 /nfs/dbraw/zinc/78/06/10/456780610.db2.gz SCDQPSNUGRMHEV-QGZVFWFLSA-N 1 1 340.423 3.229 50 10 EGCAMO COc1ccc(N2CCC([N@H+]3CCC[C@@]4(CCOC4)C3)CC2)cc1 ZINC000095376197 203722244 /nfs/dbraw/zinc/72/22/44/203722244.db2.gz OJLXNFIYTZLVAM-HXUWFJFHSA-N 1 1 330.472 3.167 50 10 EGCAMO CC[C@@H](CO)[N@@H+](Cc1ccccc1C)Cc1c(O)cccc1OC ZINC000063833337 454453578 /nfs/dbraw/zinc/45/35/78/454453578.db2.gz VNELUZLLALUZOO-KRWDZBQOSA-N 1 1 329.440 3.482 50 10 EGCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3cccnc3)ccc2O)C1 ZINC000299786235 456779991 /nfs/dbraw/zinc/77/99/91/456779991.db2.gz SCDQPSNUGRMHEV-KRWDZBQOSA-N 1 1 340.423 3.229 50 10 EGCAMO COc1cc(CNc2ccc3c(c2)[nH+]cn3C)cc(OC)c1OC ZINC000000423359 452588043 /nfs/dbraw/zinc/58/80/43/452588043.db2.gz AUBWRJDXMORVEU-UHFFFAOYSA-N 1 1 327.384 3.211 50 10 EGCAMO COc1ccc(N2CCC([N@H+]3CCCN(C(C)C)CC3)CC2)cc1 ZINC000670465646 548220591 /nfs/dbraw/zinc/22/05/91/548220591.db2.gz UDWKSYGAJSCYMU-UHFFFAOYSA-N 1 1 331.504 3.080 50 10 EGCAMO COc1ccc(N2CCC(N3CCC[N@@H+](C(C)C)CC3)CC2)cc1 ZINC000670465646 548220595 /nfs/dbraw/zinc/22/05/95/548220595.db2.gz UDWKSYGAJSCYMU-UHFFFAOYSA-N 1 1 331.504 3.080 50 10 EGCAMO COc1ccc(N2CCC(N3CCC[N@H+](C(C)C)CC3)CC2)cc1 ZINC000670465646 548220596 /nfs/dbraw/zinc/22/05/96/548220596.db2.gz UDWKSYGAJSCYMU-UHFFFAOYSA-N 1 1 331.504 3.080 50 10 EGCAMO CCOc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000019633073 212052751 /nfs/dbraw/zinc/05/27/51/212052751.db2.gz YVWMMPJEUFYCBE-UHFFFAOYSA-N 1 1 326.440 3.109 50 10 EGCAMO COCC[NH2+]Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O ZINC000008765216 211002115 /nfs/dbraw/zinc/00/21/15/211002115.db2.gz KECXQWXLJJPVCH-UHFFFAOYSA-N 1 1 339.391 3.210 50 10 biogenic EGCAMO CC[N@@H+](CCn1cccn1)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952962112 1334625463 /nfs/dbraw/zinc/62/54/63/1334625463.db2.gz AXEXXWQLGIBHSU-UHFFFAOYSA-N 1 1 338.499 3.363 50 10 EGCAMO COc1ccc(O)c(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000019720886 212058837 /nfs/dbraw/zinc/05/88/37/212058837.db2.gz UAJUBANLYREQBU-LJQANCHMSA-N 1 1 340.467 3.497 50 10 EGCAMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000019720886 212058839 /nfs/dbraw/zinc/05/88/39/212058839.db2.gz UAJUBANLYREQBU-LJQANCHMSA-N 1 1 340.467 3.497 50 10 EGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000019720886 212058841 /nfs/dbraw/zinc/05/88/41/212058841.db2.gz UAJUBANLYREQBU-LJQANCHMSA-N 1 1 340.467 3.497 50 10 EGCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)ccc2O)C1 ZINC000299765868 258006092 /nfs/dbraw/zinc/00/60/92/258006092.db2.gz YRNHTWWVBPYKHS-MRXNPFEDSA-N 1 1 340.423 3.229 50 10 EGCAMO C[C@H](c1ccccn1)[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952962772 1334625427 /nfs/dbraw/zinc/62/54/27/1334625427.db2.gz HHHMCTJBQWWKEC-OAHLLOKOSA-N 1 1 339.439 3.472 50 10 EGCAMO CC(C)(C)c1ccc(O)c(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000067934531 215253223 /nfs/dbraw/zinc/25/32/23/215253223.db2.gz GNAGTJIQVCWMGP-LJQANCHMSA-N 1 1 346.515 3.111 50 10 EGCAMO CCc1ccc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)nc1 ZINC000244764057 455277308 /nfs/dbraw/zinc/27/73/08/455277308.db2.gz PANQMHXRVTUDFR-MRXNPFEDSA-N 1 1 325.456 3.363 50 10 EGCAMO CCc1ccc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)nc1 ZINC000244764057 455277313 /nfs/dbraw/zinc/27/73/13/455277313.db2.gz PANQMHXRVTUDFR-MRXNPFEDSA-N 1 1 325.456 3.363 50 10 EGCAMO CN(C)c1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000020995527 1291195529 /nfs/dbraw/zinc/19/55/29/1291195529.db2.gz YIAHTVBCJNGHNU-UHFFFAOYSA-N 1 1 347.466 3.069 50 10 EGCAMO COc1ccc(N2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000055031468 132192825 /nfs/dbraw/zinc/19/28/25/132192825.db2.gz UHPKBMWWACCYOL-UHFFFAOYSA-N 1 1 342.439 3.035 50 10 EGCAMO Oc1ccc(F)cc1C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055119800 214275742 /nfs/dbraw/zinc/27/57/42/214275742.db2.gz ADXIQEPEUQRBJB-UHFFFAOYSA-N 1 1 340.402 3.215 50 10 EGCAMO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000002495864 452701772 /nfs/dbraw/zinc/70/17/72/452701772.db2.gz KIFZAYZKDPHZQS-UHFFFAOYSA-N 1 1 342.439 3.035 50 10 EGCAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019839587 212074322 /nfs/dbraw/zinc/07/43/22/212074322.db2.gz XYWWORVLTJKCJU-FQEVSTJZSA-N 1 1 347.405 3.488 50 10 EGCAMO Oc1c(F)cccc1C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055309070 214305111 /nfs/dbraw/zinc/30/51/11/214305111.db2.gz JAFAAXJLTLGVFW-UHFFFAOYSA-N 1 1 340.402 3.215 50 10 EGCAMO Oc1c(F)cccc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055309070 214305113 /nfs/dbraw/zinc/30/51/13/214305113.db2.gz JAFAAXJLTLGVFW-UHFFFAOYSA-N 1 1 340.402 3.215 50 10 EGCAMO COc1ccc(N2CCC([N@H+]3CCC[C@]4(CCOC4)C3)CC2)cc1 ZINC000095376196 218308999 /nfs/dbraw/zinc/30/89/99/218308999.db2.gz OJLXNFIYTZLVAM-FQEVSTJZSA-N 1 1 330.472 3.167 50 10 EGCAMO CC[NH+]1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000004724015 210259952 /nfs/dbraw/zinc/25/99/52/210259952.db2.gz BXDPQPILCARDMD-UHFFFAOYSA-N 1 1 345.424 3.168 50 10 EGCAMO CC[NH+]1CCN(C(=S)c2ccc(-c3ccc(OC)cc3)o2)CC1 ZINC000004724017 210259703 /nfs/dbraw/zinc/25/97/03/210259703.db2.gz WUXQFRYIGQWAQI-UHFFFAOYSA-N 1 1 330.453 3.268 50 10 EGCAMO COc1ccc(N2CC[N@H+](Cc3ncccc3F)CC2(C)C)cc1 ZINC000072165566 216054797 /nfs/dbraw/zinc/05/47/97/216054797.db2.gz AYCSAULAUSHBIO-UHFFFAOYSA-N 1 1 329.419 3.330 50 10 EGCAMO COc1ccc(N2CC[N@@H+](Cc3ncccc3F)CC2(C)C)cc1 ZINC000072165566 216054798 /nfs/dbraw/zinc/05/47/98/216054798.db2.gz AYCSAULAUSHBIO-UHFFFAOYSA-N 1 1 329.419 3.330 50 10 EGCAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055065548 132193377 /nfs/dbraw/zinc/19/33/77/132193377.db2.gz BMCQLHKTRNIJJR-UHFFFAOYSA-N 1 1 347.256 3.477 50 10 EGCAMO O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000033392128 453915133 /nfs/dbraw/zinc/91/51/33/453915133.db2.gz JPZQLPGNIPOVPS-UVTDQMKNSA-N 1 1 336.457 3.470 50 10 EGCAMO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cc(F)ccc2O)c1C ZINC000055252818 214296659 /nfs/dbraw/zinc/29/66/59/214296659.db2.gz UHFCNGABRXJCGG-UHFFFAOYSA-N 1 1 335.423 3.013 50 10 EGCAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1 ZINC000000105837 452508906 /nfs/dbraw/zinc/50/89/06/452508906.db2.gz HCVIRQAHQORRAA-UHFFFAOYSA-N 1 1 325.364 3.440 50 10 EGCAMO COc1ccc(O)c(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000019235033 212007407 /nfs/dbraw/zinc/00/74/07/212007407.db2.gz XMFKXFWHERKUCZ-UHFFFAOYSA-N 1 1 326.440 3.027 50 10 EGCAMO CC[C@H](CO)[N@@H+](Cc1ccccc1C)Cc1c(O)cccc1OC ZINC000063833339 454453066 /nfs/dbraw/zinc/45/30/66/454453066.db2.gz VNELUZLLALUZOO-QGZVFWFLSA-N 1 1 329.440 3.482 50 10 EGCAMO CC(C)C[N@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104332859 219375843 /nfs/dbraw/zinc/37/58/43/219375843.db2.gz OIUYYQRQQOUOLG-GOSISDBHSA-N 1 1 342.483 3.070 50 10 EGCAMO CC(C)CN1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104332859 219375846 /nfs/dbraw/zinc/37/58/46/219375846.db2.gz OIUYYQRQQOUOLG-GOSISDBHSA-N 1 1 342.483 3.070 50 10 EGCAMO CC(C)CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104332859 219375848 /nfs/dbraw/zinc/37/58/48/219375848.db2.gz OIUYYQRQQOUOLG-GOSISDBHSA-N 1 1 342.483 3.070 50 10 EGCAMO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2cccnc2)ccc1O ZINC000020541867 212145983 /nfs/dbraw/zinc/14/59/83/212145983.db2.gz HPWMVTYCEYQSGY-GOSISDBHSA-N 1 1 340.423 3.372 50 10 EGCAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(-c2cccnc2)ccc1O ZINC000020541867 212145985 /nfs/dbraw/zinc/14/59/85/212145985.db2.gz HPWMVTYCEYQSGY-GOSISDBHSA-N 1 1 340.423 3.372 50 10 EGCAMO Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1 ZINC000009008376 211030493 /nfs/dbraw/zinc/03/04/93/211030493.db2.gz OKLWAQPBPBEIIL-OAHLLOKOSA-N 1 1 329.425 3.179 50 10 EGCAMO Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1 ZINC000009008376 211030499 /nfs/dbraw/zinc/03/04/99/211030499.db2.gz OKLWAQPBPBEIIL-OAHLLOKOSA-N 1 1 329.425 3.179 50 10 EGCAMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019594997 212049861 /nfs/dbraw/zinc/04/98/61/212049861.db2.gz LSCYASZXPGHCDI-LJQANCHMSA-N 1 1 325.456 3.274 50 10 EGCAMO [NH3+]C1C=CC(O)=C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C21 ZINC000025691975 453783080 /nfs/dbraw/zinc/78/30/80/453783080.db2.gz PZPYTMCCNSGMNY-WBVHZDCISA-N 1 1 348.358 3.045 50 10 EGCAMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000019594999 212050158 /nfs/dbraw/zinc/05/01/58/212050158.db2.gz LSCYASZXPGHCDI-IBGZPJMESA-N 1 1 325.456 3.274 50 10 EGCAMO O=C1N=C(N2CC[N@H+]3CCC[C@H]3C2)S/C1=C/c1ccc(Cl)cc1 ZINC000020607844 296355102 /nfs/dbraw/zinc/35/51/02/296355102.db2.gz DNQNEKWKCMCXMI-GWQWUEFDSA-N 1 1 347.871 3.090 50 10 EGCAMO COc1cccc([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C[C@H]2O)c1 ZINC000065404950 454561206 /nfs/dbraw/zinc/56/12/06/454561206.db2.gz ILBIWZQSLFFGOV-AZUAARDMSA-N 1 1 327.424 3.060 50 10 EGCAMO COc1ccccc1/C=C1\SC(=S)N(C[NH+]2CCCCC2)C1=O ZINC000108203901 454789654 /nfs/dbraw/zinc/78/96/54/454789654.db2.gz KZPLIZQVFHESMW-PTNGSMBKSA-N 1 1 348.493 3.340 50 10 EGCAMO Cc1noc([C@H](C)[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)n1 ZINC000534661392 459344870 /nfs/dbraw/zinc/34/48/70/459344870.db2.gz ACONBTKDTYXMIG-ZDUSSCGKSA-N 1 1 326.444 3.186 50 10 EGCAMO