0 B8R0.31 CC(CO)(CO)NC=O 45da78fbdbc7158eaf920da112671e4c [0,1,0,0,0,0|1,0,2]=4 1 B8R0.31 CC(CO)(CO)NCF 841477eb28d330564d5e7280f578823e [0,1,0,0,0,0|2,0,0]=3 2 B8R0.31 CC(CO)(CO)NCO c32d5b261a4dd64cd602ad53b78b6e93 [0,1,0,0,0,0|1,0,0]=2 3 B8R0.31 CCC(C)(CC)NCO 7bc215fc90efe1b5772609d5f18749b9 [0,1,0,0,0,0|3,0,0]=4 4 B8R0.31 CCC(C)(CO)NCF 6a1e103e286dc0bbd529a7de04068af1 [0,1,0,0,0,0|3,0,0]=4 5 B8R0.31 CCC(C)(CO)NCO 285736b65e23c6bb090b50721bd88e96 [0,1,0,0,0,0|2,0,0]=3 6 B8R0.31 CCNC(C)(CC)CO 2f26b62501377fd657840183c521611a [0,1,0,0,0,0|3,0,0]=4 7 B8R0.31 CCNC(C)(CO)CO 2ed3afab87bc37fcf1c50af4e599d070 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [2,0,0,0,0,0|2,0,0]=4 9 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [1,1,0,0,0,0|2,0,0]=4 10 B7R0.11 CC(C)(CO)NCF ff77a8ad6259112da8c0c0f8599c831a [1,1,0,0,0,0|2,0,0]=4 11 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [1,1,0,0,0,0|1,0,0]=3 12 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [1,1,0,0,0,0|2,0,0]=4 13 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [1,1,0,0,0,0|2,0,0]=4 14 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [1,1,0,0,0,0|1,0,1]=4 15 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [1,1,0,0,0,0|2,0,0]=4 16 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [1,1,0,0,0,0|2,0,0]=4 17 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [1,1,0,0,0,0|1,0,0]=3 18 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [1,1,0,0,0,0|2,0,0]=4 19 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [1,1,0,0,0,0|1,0,0]=3 21 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [1,1,0,0,0,0|1,0,0]=3 27 B7R0.12 N#CNC(CO)CO b5b206fc1771a9ccc8881cf2cd7b5b70 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.12 O=CNC(CO)CO cf9304986c9a1419edf6773dbe4f0207 [1,1,0,0,0,0|0,0,2]=4 29 B7R0.12 OCC(CO)NCF dacc789514f2a3ea025a73d05b6732a8 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [1,1,0,0,0,0|2,0,0]=4 31 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [1,1,0,0,0,0|1,0,0]=3 32 B7R0.12 OCNC(CO)CO eaa00950e285c87d17b1d0c52282992e [1,1,0,0,0,0|0,0,0]=2 33 B9R0.62 CCC(CO)(CO)NC=O acc90515f8e1e70a5934f99bf8e25a9c [0,2,0,0,0,0|1,0,0]=3 34 B9R0.62 CCC(CO)(CO)NCF aec5c66d2a6d5e1d256401ebcecbdf72 [0,2,0,0,0,0|1,0,0]=3 35 B9R0.62 CCC(CO)(CO)NCO 0c7c9bf68b735eb0ef17b9c821adcf6b [0,2,0,0,0,0|1,0,0]=3 36 B9R0.62 CCNC(CC)(CO)CO b9b6070361ea346786c754b8d7612e6e [0,2,0,0,0,0|1,0,0]=3 37 B9R0.62 CCNC(CO)(CO)CO 82730cc200ecb3cfec68618d9a731e5b [0,2,0,0,0,0|0,0,0]=2 38 B9R0.62 O=CNC(CO)(CO)CO f15c8b53b963ff17e96c191f436f3f46 [0,2,0,0,0,0|0,0,0]=2 39 B9R0.62 OCC(CO)(CO)NCF 9e3b9102e855e3884480f9ee8bcf1fda [0,2,0,0,0,0|0,0,0]=2 40 B9R0.62 OCNC(CO)(CO)CO 9f5bd734a239f7f2ad6c57472f5d5f64 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.59 CCCC(C)(CO)NCO 02f8b4c5f581576e319d81e96bd61088 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.63 CC(C)NC(C)(CO)CO 65c2d46b1a5ed2d81a85fb1a57084cf5 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.67 C#CCNC(C)(CO)CO 59d22cd3a73abbd50c6aaacada418925 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.67 C=CCNC(C)(CO)CO ca14c416660f5d37004ba56e28e6011e [0,2,0,0,0,0|2,0,0]=4 45 B9R0.67 CC(CO)(CO)NCC#N dc2d246d01ab146ffe077a785b5ae56c [0,2,0,0,0,0|2,0,0]=4 46 B9R0.67 CC(CO)(CO)NCC=O 57f7b620552f3807b21c6a5be0709f95 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.67 CC(CO)(CO)NCCF 70e5b04055dbc56a868cd067da24527a [0,2,0,0,0,0|2,0,0]=4 48 B9R0.67 CC(CO)(CO)NCCO c124fc58838f399f3c1cad4e14fee4d1 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.67 CC(CO)(CO)NCCS fe5df0d840889d63a9141ab9000c0597 [0,2,0,0,0,0|1,1,0]=4 50 B9R0.67 CCC(C)(CO)NCCO e046ebe3daede5060bbdd52bf0ac1ecc [0,2,0,0,0,0|2,0,0]=4 51 B9R0.67 CCC(C)(CO)NCOC 098188bd7d3e86efd1478da17c99206a [0,2,0,0,0,0|2,0,0]=4 52 B9R0.67 CCCNC(C)(CO)CO 0286637858fbfa3418d2cc2928fb051b [0,2,0,0,0,0|2,0,0]=4 53 B9R0.67 COCNC(C)(CO)CO 4d2078db80784fef37de6b675b5ac0f8 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.67 CSCNC(C)(CO)CO b1582db964a40533baeff8fcfd83dec5 [0,2,0,0,0,0|1,1,0]=4 55 B9R0.74 CC(CO)(NCO)C(=O)O 8a85f709496a63b14698626b8a0b15b1 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.74 C[C@@](CO)(NCO)C(=O)O 036d4b8691da15e1836d37b1c0f8ee76 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.74 C[C@](CO)(NCO)C(=O)O 7e56748e8ca748d5082ea92c28d6256c [0,2,0,0,0,0|1,0,1]=4 58 B9R1.134 CC1(CCOC1)NCO ef653262e1f3d5a3f61b701d9be5010c [0,1,0,1,0,0|2,0,0]=4 59 B9R1.175 CCC1(COC1)NCO b9c67fb4c27d6fe70a49fac3598f4243 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.175 CCNC1(COC1)CO 3f74a5bc86ac65c7a35a746b8082873a [0,1,0,1,0,0|2,0,0]=4 61 B9R1.175 OCC1(COC1)NCF 9e0e3dd19efc60b96a7790b866532483 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.175 OCNC1(CCC1)CO c83aa2464fc79a6a50bb1dffaa4b789e [0,1,0,1,0,0|2,0,0]=4 63 B9R1.175 OCNC1(COC1)CO 7cb99e82f969e1ef277facb9f4f572fc [0,1,0,1,0,0|1,0,0]=3