smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C[NH+]2CCC(Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000581810371 870043656 /nfs/dbraw/zinc/04/36/56/870043656.db2.gz PMOWIMSOKDPSNQ-UHFFFAOYSA-N 2 1 389.543 3.845 50 30 GHEAMP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237622808 570944814 /nfs/dbraw/zinc/94/48/14/570944814.db2.gz CTPDYSKTKRYXHO-AQNXPRMDSA-N 2 1 393.531 3.876 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000012714745 518589828 /nfs/dbraw/zinc/58/98/28/518589828.db2.gz YQIHLXTXHXIGFV-OAQYLSRUSA-N 2 1 390.568 3.709 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012591875 570237779 /nfs/dbraw/zinc/23/77/79/570237779.db2.gz ISFJEZTVFRHGCT-NRFANRHFSA-N 2 1 390.568 3.707 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012591875 570237782 /nfs/dbraw/zinc/23/77/82/570237782.db2.gz ISFJEZTVFRHGCT-NRFANRHFSA-N 2 1 390.568 3.707 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012591875 570237785 /nfs/dbraw/zinc/23/77/85/570237785.db2.gz ISFJEZTVFRHGCT-NRFANRHFSA-N 2 1 390.568 3.707 50 30 GHEAMP C=CCN(CC=C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015070801 570246500 /nfs/dbraw/zinc/24/65/00/570246500.db2.gz FFYNQYIRXIDCCB-JOCHJYFZSA-N 2 1 381.564 3.564 50 30 GHEAMP C=CCN(CC=C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015070801 570246503 /nfs/dbraw/zinc/24/65/03/570246503.db2.gz FFYNQYIRXIDCCB-JOCHJYFZSA-N 2 1 381.564 3.564 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012716256 518588635 /nfs/dbraw/zinc/58/86/35/518588635.db2.gz IMABOIFELHXIBJ-QFIPXVFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012716256 518588640 /nfs/dbraw/zinc/58/86/40/518588640.db2.gz IMABOIFELHXIBJ-QFIPXVFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012716256 518588646 /nfs/dbraw/zinc/58/86/46/518588646.db2.gz IMABOIFELHXIBJ-QFIPXVFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C[N@H+]1CCC[C@@H](C[NH+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815680 523812521 /nfs/dbraw/zinc/81/25/21/523812521.db2.gz DJDBCODKAZHSBU-AREMUKBSSA-N 2 1 390.571 3.807 50 30 GHEAMP C[NH+]1CCC[C@@H](C[N@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815680 523812527 /nfs/dbraw/zinc/81/25/27/523812527.db2.gz DJDBCODKAZHSBU-AREMUKBSSA-N 2 1 390.571 3.807 50 30 GHEAMP C[NH+]1CCC[C@@H](C[N@@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815680 523812531 /nfs/dbraw/zinc/81/25/31/523812531.db2.gz DJDBCODKAZHSBU-AREMUKBSSA-N 2 1 390.571 3.807 50 30 GHEAMP C=CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(-c2nc(CC[NH3+])cc(=O)[nH]2)c1 ZINC000023505873 518781777 /nfs/dbraw/zinc/78/17/77/518781777.db2.gz NHRRDJPDERZJFL-UHFFFAOYSA-N 2 1 392.478 3.678 50 30 GHEAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505598 523097551 /nfs/dbraw/zinc/09/75/51/523097551.db2.gz CMAXZNJSWDXWCU-QFIPXVFZSA-N 2 1 399.579 3.816 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012076063 570234957 /nfs/dbraw/zinc/23/49/57/570234957.db2.gz GIZUKLYBCOOYTH-DEOSSOPVSA-N 2 1 392.543 3.659 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012076063 570234959 /nfs/dbraw/zinc/23/49/59/570234959.db2.gz GIZUKLYBCOOYTH-DEOSSOPVSA-N 2 1 392.543 3.659 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012076061 570235016 /nfs/dbraw/zinc/23/50/16/570235016.db2.gz GIZUKLYBCOOYTH-XMMPIXPASA-N 2 1 392.543 3.659 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000012076061 570235017 /nfs/dbraw/zinc/23/50/17/570235017.db2.gz GIZUKLYBCOOYTH-XMMPIXPASA-N 2 1 392.543 3.659 50 30 GHEAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000095528288 571091943 /nfs/dbraw/zinc/09/19/43/571091943.db2.gz HSSBPHBXRBQNPX-QFIPXVFZSA-N 2 1 399.579 3.816 50 30 GHEAMP N#Cc1ccccc1C[NH+]1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000581810444 870042996 /nfs/dbraw/zinc/04/29/96/870042996.db2.gz TVDWZKWFGFALFD-UHFFFAOYSA-N 2 1 389.543 3.845 50 30 GHEAMP OCC#Cc1csc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000020540546 839953559 /nfs/dbraw/zinc/95/35/59/839953559.db2.gz VGGGHNFNRGCYJT-HSZRJFAPSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000020540546 839953568 /nfs/dbraw/zinc/95/35/68/839953568.db2.gz VGGGHNFNRGCYJT-HSZRJFAPSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000020540546 839953575 /nfs/dbraw/zinc/95/35/75/839953575.db2.gz VGGGHNFNRGCYJT-HSZRJFAPSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1 ZINC000020540546 839953588 /nfs/dbraw/zinc/95/35/88/839953588.db2.gz VGGGHNFNRGCYJT-HSZRJFAPSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000020540546 839953598 /nfs/dbraw/zinc/95/35/98/839953598.db2.gz VGGGHNFNRGCYJT-HSZRJFAPSA-N 2 1 386.605 3.960 50 30 GHEAMP C=CC[NH+](CC=C)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012583148 858928313 /nfs/dbraw/zinc/92/83/13/858928313.db2.gz GDSDLJZTWLDQCK-XMMPIXPASA-N 2 1 392.543 3.659 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012591881 570237602 /nfs/dbraw/zinc/23/76/02/570237602.db2.gz ISFJEZTVFRHGCT-OAQYLSRUSA-N 2 1 390.568 3.707 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012591881 570237605 /nfs/dbraw/zinc/23/76/05/570237605.db2.gz ISFJEZTVFRHGCT-OAQYLSRUSA-N 2 1 390.568 3.707 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012591881 570237610 /nfs/dbraw/zinc/23/76/10/570237610.db2.gz ISFJEZTVFRHGCT-OAQYLSRUSA-N 2 1 390.568 3.707 50 30 GHEAMP C=CCCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594250 859447804 /nfs/dbraw/zinc/44/78/04/859447804.db2.gz DRGBJAZJZKWUBX-NRFANRHFSA-N 2 1 375.601 3.922 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012470547 570237225 /nfs/dbraw/zinc/23/72/25/570237225.db2.gz LGGARGCTXAVARW-HSZRJFAPSA-N 2 1 397.607 3.830 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012470547 570237230 /nfs/dbraw/zinc/23/72/30/570237230.db2.gz LGGARGCTXAVARW-HSZRJFAPSA-N 2 1 397.607 3.830 50 30 GHEAMP OCC#Cc1csc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000020540548 839953211 /nfs/dbraw/zinc/95/32/11/839953211.db2.gz VGGGHNFNRGCYJT-QHCPKHFHSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000020540548 839953214 /nfs/dbraw/zinc/95/32/14/839953214.db2.gz VGGGHNFNRGCYJT-QHCPKHFHSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)c1 ZINC000020540548 839953219 /nfs/dbraw/zinc/95/32/19/839953219.db2.gz VGGGHNFNRGCYJT-QHCPKHFHSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)c1 ZINC000020540548 839953222 /nfs/dbraw/zinc/95/32/22/839953222.db2.gz VGGGHNFNRGCYJT-QHCPKHFHSA-N 2 1 386.605 3.960 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000020540548 839953224 /nfs/dbraw/zinc/95/32/24/839953224.db2.gz VGGGHNFNRGCYJT-QHCPKHFHSA-N 2 1 386.605 3.960 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012470552 570237683 /nfs/dbraw/zinc/23/76/83/570237683.db2.gz LGGARGCTXAVARW-QHCPKHFHSA-N 2 1 397.607 3.830 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012470552 570237690 /nfs/dbraw/zinc/23/76/90/570237690.db2.gz LGGARGCTXAVARW-QHCPKHFHSA-N 2 1 397.607 3.830 50 30 GHEAMP CC(C)[N@@H+](CCCSCC#N)C[C@@H]1CCC[NH+](CCCSCC#N)C1 ZINC000095979975 860731552 /nfs/dbraw/zinc/73/15/52/860731552.db2.gz XNRUGOYRQCCMBK-LJQANCHMSA-N 2 1 382.643 3.703 50 30 GHEAMP CC(C)[NH+](CCCSCC#N)C[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000095979975 860731560 /nfs/dbraw/zinc/73/15/60/860731560.db2.gz XNRUGOYRQCCMBK-LJQANCHMSA-N 2 1 382.643 3.703 50 30 GHEAMP CC(C)[NH+](CCCSCC#N)C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000095979975 860731569 /nfs/dbraw/zinc/73/15/69/860731569.db2.gz XNRUGOYRQCCMBK-LJQANCHMSA-N 2 1 382.643 3.703 50 30 GHEAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000095528287 571092017 /nfs/dbraw/zinc/09/20/17/571092017.db2.gz HSSBPHBXRBQNPX-JOCHJYFZSA-N 2 1 399.579 3.816 50 30 GHEAMP C=CCOc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1CC=C ZINC000067967255 519034676 /nfs/dbraw/zinc/03/46/76/519034676.db2.gz GZTYUXCZJKOTRZ-UHFFFAOYSA-N 2 1 383.580 3.582 50 30 GHEAMP C=CCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012594245 859448058 /nfs/dbraw/zinc/44/80/58/859448058.db2.gz DRGBJAZJZKWUBX-OAQYLSRUSA-N 2 1 375.601 3.922 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015062805 570246875 /nfs/dbraw/zinc/24/68/75/570246875.db2.gz BRHHNBGIJOYTIW-HSZRJFAPSA-N 2 1 380.532 3.732 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064104 570246520 /nfs/dbraw/zinc/24/65/20/570246520.db2.gz XJSXDYGFPWHAGI-QFIPXVFZSA-N 2 1 383.580 3.788 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064104 570246523 /nfs/dbraw/zinc/24/65/23/570246523.db2.gz XJSXDYGFPWHAGI-QFIPXVFZSA-N 2 1 383.580 3.788 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000012714742 518589491 /nfs/dbraw/zinc/58/94/91/518589491.db2.gz YQIHLXTXHXIGFV-NRFANRHFSA-N 2 1 390.568 3.709 50 30 GHEAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(C#CCCO)cc3)CC2)o1 ZINC000012304214 524438417 /nfs/dbraw/zinc/43/84/17/524438417.db2.gz LAMFMIFJSKIAJS-UHFFFAOYSA-N 2 1 380.532 3.666 50 30 GHEAMP OCC#Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011842636 858960621 /nfs/dbraw/zinc/96/06/21/858960621.db2.gz LAJMKEIEYIBNKQ-DEOSSOPVSA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011842636 858960623 /nfs/dbraw/zinc/96/06/23/858960623.db2.gz LAJMKEIEYIBNKQ-DEOSSOPVSA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000011842636 858960627 /nfs/dbraw/zinc/96/06/27/858960627.db2.gz LAJMKEIEYIBNKQ-DEOSSOPVSA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011842636 858960628 /nfs/dbraw/zinc/96/06/28/858960628.db2.gz LAJMKEIEYIBNKQ-DEOSSOPVSA-N 2 1 394.584 3.623 50 30 GHEAMP C=C(C)[C@@H]1CC=C(C[NH+]2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000015065623 570246709 /nfs/dbraw/zinc/24/67/09/570246709.db2.gz OJCSNQJMJQYXBI-HSZRJFAPSA-N 2 1 387.612 3.945 50 30 GHEAMP C=CC[NH+](CC=C)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012583152 858928099 /nfs/dbraw/zinc/92/80/99/858928099.db2.gz GDSDLJZTWLDQCK-DEOSSOPVSA-N 2 1 392.543 3.659 50 30 GHEAMP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237622742 570944470 /nfs/dbraw/zinc/94/44/70/570944470.db2.gz CTPDYSKTKRYXHO-SLFFLAALSA-N 2 1 393.531 3.876 50 30 GHEAMP C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012716260 518588538 /nfs/dbraw/zinc/58/85/38/518588538.db2.gz IMABOIFELHXIBJ-JOCHJYFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012716260 518588544 /nfs/dbraw/zinc/58/85/44/518588544.db2.gz IMABOIFELHXIBJ-JOCHJYFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C=C(C)C[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012716260 518588550 /nfs/dbraw/zinc/58/85/50/518588550.db2.gz IMABOIFELHXIBJ-JOCHJYFZSA-N 2 1 398.547 3.575 50 30 GHEAMP C=CCN(CC=C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015070803 570246624 /nfs/dbraw/zinc/24/66/24/570246624.db2.gz FFYNQYIRXIDCCB-QFIPXVFZSA-N 2 1 381.564 3.564 50 30 GHEAMP C=CCN(CC=C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015070803 570246625 /nfs/dbraw/zinc/24/66/25/570246625.db2.gz FFYNQYIRXIDCCB-QFIPXVFZSA-N 2 1 381.564 3.564 50 30 GHEAMP C=CC[NH+](CC=C)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015062806 570246159 /nfs/dbraw/zinc/24/61/59/570246159.db2.gz BRHHNBGIJOYTIW-QHCPKHFHSA-N 2 1 380.532 3.732 50 30 GHEAMP C[N@H+]1CCC[C@H](C[NH+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815679 523840164 /nfs/dbraw/zinc/84/01/64/523840164.db2.gz DJDBCODKAZHSBU-SANMLTNESA-N 2 1 390.571 3.807 50 30 GHEAMP C[NH+]1CCC[C@H](C[N@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815679 523840171 /nfs/dbraw/zinc/84/01/71/523840171.db2.gz DJDBCODKAZHSBU-SANMLTNESA-N 2 1 390.571 3.807 50 30 GHEAMP C[NH+]1CCC[C@H](C[N@@H+](CCc2ccccc2)Cc2ccc(C#CCCO)cc2)C1 ZINC000011815679 523840176 /nfs/dbraw/zinc/84/01/76/523840176.db2.gz DJDBCODKAZHSBU-SANMLTNESA-N 2 1 390.571 3.807 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064103 570246806 /nfs/dbraw/zinc/24/68/06/570246806.db2.gz XJSXDYGFPWHAGI-JOCHJYFZSA-N 2 1 383.580 3.788 50 30 GHEAMP C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000015064103 570246807 /nfs/dbraw/zinc/24/68/07/570246807.db2.gz XJSXDYGFPWHAGI-JOCHJYFZSA-N 2 1 383.580 3.788 50 30 GHEAMP OCC#Cc1csc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011842637 857588960 /nfs/dbraw/zinc/58/89/60/857588960.db2.gz LAJMKEIEYIBNKQ-XMMPIXPASA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)c1 ZINC000011842637 857588969 /nfs/dbraw/zinc/58/89/69/857588969.db2.gz LAJMKEIEYIBNKQ-XMMPIXPASA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000011842637 857588975 /nfs/dbraw/zinc/58/89/75/857588975.db2.gz LAJMKEIEYIBNKQ-XMMPIXPASA-N 2 1 394.584 3.623 50 30 GHEAMP OCC#Cc1csc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000011842637 857588981 /nfs/dbraw/zinc/58/89/81/857588981.db2.gz LAJMKEIEYIBNKQ-XMMPIXPASA-N 2 1 394.584 3.623 50 30 GHEAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1)C1CCCCC1 ZINC000095505597 523024315 /nfs/dbraw/zinc/02/43/15/523024315.db2.gz CMAXZNJSWDXWCU-JOCHJYFZSA-N 2 1 399.579 3.816 50 30 GHEAMP CC(C)[N@@H+](CCCSCC#N)C[C@H]1CCC[NH+](CCCSCC#N)C1 ZINC000095979976 860731709 /nfs/dbraw/zinc/73/17/09/860731709.db2.gz XNRUGOYRQCCMBK-IBGZPJMESA-N 2 1 382.643 3.703 50 30 GHEAMP CC(C)[NH+](CCCSCC#N)C[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000095979976 860731712 /nfs/dbraw/zinc/73/17/12/860731712.db2.gz XNRUGOYRQCCMBK-IBGZPJMESA-N 2 1 382.643 3.703 50 30 GHEAMP CC(C)[NH+](CCCSCC#N)C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000095979976 860731716 /nfs/dbraw/zinc/73/17/16/860731716.db2.gz XNRUGOYRQCCMBK-IBGZPJMESA-N 2 1 382.643 3.703 50 30 GHEAMP